G4V9U6_SCHMA Loading...

Protein-serine/threonine kinase

AlphaFold DB , UniProt , Accession G4V9U6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 474 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
1M38.3Very low43.3Very low194 Ų194109.4 Ų109.496%0.95661%0.606SS**  0127.90-103.1179.4178.800108.6
2G36.9Very low46.7Very low49 Ų49112.8 Ų112.851%0.50561%0.61SS.*  trans-71.5151.9-177.700000113.3K4 N5 I6G2-K4 PolarHBondContact O-N 3.45Å; G2-N5 PolarHBondContact O-N 3.06Å; G2-I6 PolarHBondContact O-N 2.86Å
3I36.1Very low49.8Very low139 Ų139106.5 Ų106.571%0.71358%0.576SS**Hα-helixtrans-47.7-38.2-177.5-64.3167.9000112.7N5 I6 C7I3-N5 VanDerWaalsContact C-N 3.32Å; I3-N5 PolarHBondContact O-N 2.99Å; I3-I6 PolarHBondContact O-N 3.17Å; I3-C7 PolarHBondContact O-N 3.46Å; I3-C7 PolarHBondContact O-SG 3.33Å
4K29.2Very low52.5Low177 Ų177101.4 Ų101.477%0.7756%0.561SS**Hα-helixtrans-60.7-34.6176.9-75.6-175.2177178.80113.8G2 K8G2-K4 PolarHBondContact O-N 3.45Å; K4-K8 WeakPolarHBondContact O-CB 3.44Å; K4-K8 WeakPolarHBondContact O-CG 3.34Å; K4-K8 PolarHBondContact O-N 3.12Å; K4-K8 VanDerWaalsContact O-N 3.12Å
5N32.2Very low55.1Low86 Ų86104.7 Ų104.746%0.4657%0.567SS.*Hα-helixtrans-75.5-33.9177-76.9-5000111.4G2 I3 K8 L9G2-N5 PolarHBondContact O-N 3.06Å; I3-N5 VanDerWaalsContact C-N 3.32Å; I3-N5 PolarHBondContact O-N 2.99Å; N5-K8 PolarHBondContact O-N 2.9Å; N5-L9 WeakPolarHBondContact O-CB 3.41Å; N5-L9 PolarHBondContact O-N 3.45Å
6I34.6Very low57.5Low102 Ų102101.9 Ų101.952%0.52355%0.55SS.*Hα-helixtrans-65.9-46.9175.4-61.6173.1000110.3G2 I3 K8 L9 A10G2-I6 PolarHBondContact O-N 2.86Å; I3-I6 PolarHBondContact O-N 3.17Å; I6-K8 PolarHBondContact O-N 2.87Å; I6-L9 PolarHBondContact O-N 3.27Å; I6-A10 WeakPolarHBondContact O-CB 3.39Å; I6-A10 PolarHBondContact O-N 3.45Å
7C38.8Very low59.5Low82 Ų8296.2 Ų96.255%0.55452%0.519SS*.Hα-helixtrans-64.4-37.2176.2-63.20000112.8I3 G11I3-C7 PolarHBondContact O-N 3.46Å; I3-C7 PolarHBondContact O-SG 3.33Å; C7-G11 PolarHBondContact O-N 2.93Å
8K39.9Very low61.3Low158 Ų15896.1 Ų96.169%0.68752%0.515SS*.Hα-helixtrans-67-40.2174.1-81.2-175.8177.1-175.20112.3K4 N5 I6 G11 K12K4-K8 WeakPolarHBondContact O-CB 3.44Å; K4-K8 WeakPolarHBondContact O-CG 3.34Å; K4-K8 PolarHBondContact O-N 3.12Å; K4-K8 VanDerWaalsContact O-N 3.12Å; N5-K8 PolarHBondContact O-N 2.9Å; I6-K8 PolarHBondContact O-N 2.87Å; K8-G11 PolarHBondContact O-N 3.41Å; K8-K12 PolarHBondContact O-N 2.91Å
9L47.4Very low63.1Low118 Ų11895.8 Ų95.862%0.61851%0.51SS*.Hα-helixtrans-64.7-46.5175.6-130.189.3000110.8N5 I6 G11 K12 L13N5-L9 WeakPolarHBondContact O-CB 3.41Å; N5-L9 PolarHBondContact O-N 3.45Å; I6-L9 PolarHBondContact O-N 3.27Å; L9-G11 VanDerWaalsContact C-N 3.3Å; L9-G11 PolarHBondContact O-N 2.87Å; L9-K12 PolarHBondContact O-N 3.42Å; L9-L13 WeakPolarHBondContact O-CB 3.33Å; L9-L13 PolarHBondContact O-N 2.9Å
10A62.9Low64.7Low61 Ų6192.6 Ų92.650%0.50449%0.491SS..Hα-helixtrans-58.9-42.517500000111.3I6 L13 G14I6-A10 WeakPolarHBondContact O-CB 3.39Å; I6-A10 PolarHBondContact O-N 3.45Å; A10-L13 PolarHBondContact O-N 3.18Å; A10-G14 PolarHBondContact O-N 3.28Å
11G79.6Confident66Low37 Ų3788.5 Ų88.538%0.38147%0.469SS..Hα-helixtrans-66.2-36.8175.600000113.8C7 K8 L9 K15C7-G11 PolarHBondContact O-N 2.93Å; K8-G11 PolarHBondContact O-N 3.41Å; L9-G11 VanDerWaalsContact C-N 3.3Å; L9-G11 PolarHBondContact O-N 2.87Å; G11-K15 WeakPolarHBondContact O-CG 3.46Å; G11-K15 PolarHBondContact O-N 3.2Å
12K84.6Confident68.7Low150 Ų15086 Ų8665%0.65245%0.453SS*.Hα-helixtrans-68.5-47175.1-172.8-178.8178.3-175.20110.7K8 L9 K15 M16K8-K12 PolarHBondContact O-N 2.91Å; L9-K12 PolarHBondContact O-N 3.42Å; K12-K15 PolarHBondContact O-N 3.36Å; K12-M16 WeakPolarHBondContact O-CG 3.31Å; K12-M16 PolarHBondContact O-N 3.47Å
13L87.2Confident71.4Confident32 Ų3288.4 Ų88.417%0.16845%0.45CS..Hα-helixtrans-60.2-47178.9-177.561.2000111.1L9 A10 K15 M16 I17 E85 F88 N89L9-L13 WeakPolarHBondContact O-CB 3.33Å; L9-L13 PolarHBondContact O-N 2.9Å; A10-L13 PolarHBondContact O-N 3.18Å; L13-K15 VanDerWaalsContact C-N 3.33Å; L13-K15 PolarHBondContact O-N 3.05Å; L13-M16 PolarHBondContact O-N 3.09Å; L13-I17 HydrophobicContact CD1-CD1 4.26Å; L13-I17 HydrophobicContact CD1-CG1 4.5Å; L13-I17 HydrophobicContact CG-CD1 3.86Å; L13-I17 WeakPolarHBondContact O-CG1 3.44Å; L13-I17 PolarHBondContact O-N 2.95Å; L13-E85 HydrophobicContact CD2-CB 4.2Å; L13-E85 HydrophobicContact CD2-CG 4.46Å; L13-F88 HydrophobicContact CD1-CD1 3.63Å; L13-F88 HydrophobicContact CD1-CE1 4.07Å; L13-N89 HydrophobicContact CD1-CB 4.16Å
14G87.9Confident74.2Confident35 Ų3586.6 Ų86.636%0.36145%0.446SS..Hα-helixtrans-56.9-43.1176.100000113.1A10 M16 I17 E18A10-G14 PolarHBondContact O-N 3.28Å; G14-M16 VanDerWaalsContact C-N 3.34Å; G14-M16 PolarHBondContact O-N 3.02Å; G14-I17 PolarHBondContact O-N 3.39Å; G14-E18 WeakPolarHBondContact O-CB 3.32Å; G14-E18 PolarHBondContact O-N 3.44Å
15K91.5Very high77.4Confident151 Ų15178.7 Ų78.766%0.65741%0.412SS*.Hα-helixtrans-63.7-37.1174.9-74.6178.9-179.9-171.20113.1G11 K12 L13 H19G11-K15 WeakPolarHBondContact O-CG 3.46Å; G11-K15 PolarHBondContact O-N 3.2Å; K12-K15 PolarHBondContact O-N 3.36Å; L13-K15 VanDerWaalsContact C-N 3.33Å; L13-K15 PolarHBondContact O-N 3.05Å; K15-H19 WeakPolarHBondContact O-CB 3.3Å; K15-H19 PolarHBondContact O-N 2.76Å
16M92.8Very high80.5Confident60 Ų6077.8 Ų77.830%0.29641%0.409SS..Hα-helixtrans-68.6-43.4176-64.3-52.7-64.500111K12 L13 G14 E18 H19 Y20 F88 I92K12-M16 WeakPolarHBondContact O-CG 3.31Å; K12-M16 PolarHBondContact O-N 3.47Å; L13-M16 PolarHBondContact O-N 3.09Å; G14-M16 VanDerWaalsContact C-N 3.34Å; G14-M16 PolarHBondContact O-N 3.02Å; M16-E18 VanDerWaalsContact C-N 3.32Å; M16-E18 PolarHBondContact O-N 3.1Å; M16-H19 WeakPolarHBondContact O-CB 3.21Å; M16-H19 PolarHBondContact O-N 3.18Å; M16-H19 VanDerWaalsContact O-N 3.14Å; M16-Y20 HydrophobicContact CE-CD2 4.35Å; M16-Y20 HydrophobicContact CE-CE2 3.76Å; M16-Y20 WeakPolarHBondContact O-CD2 3.39Å; M16-Y20 PolarHBondContact O-N 2.9Å; M16-F88 HydrophobicContact CB-CE1 3.86Å; M16-F88 HydrophobicContact CB-CZ 4.19Å; M16-I92 HydrophobicContact CB-CD1 3.85Å; M16-I92 HydrophobicContact CE-CD1 3.62Å; M16-I92 HydrophobicContact CG-CD1 4.14Å
17I92.3Very high83.4Confident5 Ų575.5 Ų75.53%0.02640%0.403CS..Hα-helixtrans-58.8-46175.7-67.1159.8000110.3L13 G14 H19 Y20 S21 M61 F88L13-I17 HydrophobicContact CD1-CD1 4.26Å; L13-I17 HydrophobicContact CD1-CG1 4.5Å; L13-I17 HydrophobicContact CG-CD1 3.86Å; L13-I17 WeakPolarHBondContact O-CG1 3.44Å; L13-I17 PolarHBondContact O-N 2.95Å; G14-I17 PolarHBondContact O-N 3.39Å; I17-H19 VanDerWaalsContact C-N 3.32Å; I17-H19 PolarHBondContact O-N 3.47Å; I17-Y20 PolarHBondContact O-N 2.91Å; I17-S21 VanDerWaalsContact O-CB 3.32Å; I17-S21 WeakPolarHBondContact O-CB 3.39Å; I17-S21 PolarHBondContact O-N 3.33Å; I17-S21 PolarHBondContact O-OG 3.44Å; I17-M61 HydrophobicContact CD1-CE 3.41Å; I17-M61 VanDerWaalsContact CD1-CE 3.41Å; I17-M61 HydrophobicContact CD1-SD 4.16Å; I17-M61 HydrophobicContact CG1-CE 4.15Å; I17-M61 HydrophobicContact CG1-SD 4.26Å; I17-M61 HydrophobicContact CG2-CB 3.98Å; I17-M61 HydrophobicContact CG2-CE 4.46Å; I17-M61 HydrophobicContact CG2-SD 4.34Å; I17-F88 HydrophobicContact CB-CZ 4.42Å; I17-F88 HydrophobicContact CG1-CD1 3.83Å; I17-F88 HydrophobicContact CG1-CD2 4.09Å; I17-F88 HydrophobicContact CG1-CE1 3.76Å; I17-F88 HydrophobicContact CG1-CE2 4.03Å; I17-F88 HydrophobicContact CG1-CG 4Å; I17-F88 HydrophobicContact CG1-CZ 3.87Å
18E92.2Very high86.1Confident94 Ų9473 Ų7344%0.43938%0.384SS..Hα-helixtrans-63.5-35175.7-164.3-152.9136.900112.9G14 M16 S21 K22G14-E18 WeakPolarHBondContact O-CB 3.32Å; G14-E18 PolarHBondContact O-N 3.44Å; M16-E18 VanDerWaalsContact C-N 3.32Å; M16-E18 PolarHBondContact O-N 3.1Å; E18-S21 WeakPolarHBondContact CA-OG 3.4Å; E18-S21 PolarHBondContact O-OG 2.99Å; E18-K22 WeakPolarHBondContact O-CE 3.45Å; E18-K22 WeakPolarHBondContact O-CG 3.39Å; E18-K22 WeakPolarHBondContact OE1-CE 3.48Å; E18-K22 IonicContact OE1-NZ 3.58Å; E18-K22 PolarHBondContact OE1-NZ 3.33Å
19H94.5Very high88.9Confident90 Ų9065.7 Ų65.742%0.41735%0.353SS..Hα-helixtrans-66.4-51175.1176.869.3000111.1K15 M16 I17 S21 K22 F23K15-H19 WeakPolarHBondContact O-CB 3.3Å; K15-H19 PolarHBondContact O-N 2.76Å; M16-H19 WeakPolarHBondContact O-CB 3.21Å; M16-H19 PolarHBondContact O-N 3.18Å; M16-H19 VanDerWaalsContact O-N 3.14Å; I17-H19 VanDerWaalsContact C-N 3.32Å; I17-H19 PolarHBondContact O-N 3.47Å; H19-S21 VanDerWaalsContact C-N 3.33Å; H19-S21 PolarHBondContact O-N 3.14Å; H19-K22 WeakPolarHBondContact O-CB 3.34Å; H19-K22 PolarHBondContact O-N 2.89Å; H19-F23 AromaticContact CD2-CE2 3.9Å; H19-F23 AromaticContact CE1-CE2 3.8Å; H19-F23 AromaticContact CE1-CZ 3.81Å; H19-F23 AromaticContact NE2-CE2 3.54Å; H19-F23 AromaticContact NE2-CZ 3.76Å; H19-F23 WeakPolarHBondContact O-CD2 3.44Å; H19-F23 WeakPolarHBondContact O-CE2 3.35Å
20Y94.8Very high91.3Very high32 Ų3260.1 Ų60.113%0.12532%0.323CS..Hα-helixtrans-69.6-29.2-177.2-84.8-85.2000113.3M16 I17 K22 F23 P54 V55 F88 I92M16-Y20 HydrophobicContact CE-CD2 4.35Å; M16-Y20 HydrophobicContact CE-CE2 3.76Å; M16-Y20 WeakPolarHBondContact O-CD2 3.39Å; M16-Y20 PolarHBondContact O-N 2.9Å; I17-Y20 PolarHBondContact O-N 2.91Å; Y20-K22 PolarHBondContact O-N 3.07Å; Y20-F23 PolarHBondContact O-N 3.46Å; Y20-P54 HydrophobicContact CD1-CB 3.52Å; Y20-P54 HydrophobicContact CD2-CB 4.34Å; Y20-P54 HydrophobicContact CE1-CB 3.67Å; Y20-P54 HydrophobicContact CE1-CG 4.38Å; Y20-P54 HydrophobicContact CE2-CB 4.48Å; Y20-P54 HydrophobicContact CG-CB 3.85Å; Y20-V55 HydrophobicContact CD1-CG2 3.82Å; Y20-F88 HydrophobicContact CD2-CE2 4.46Å; Y20-F88 AromaticContact CD2-CZ 3.8Å; Y20-F88 HydrophobicContact CD2-CZ 3.8Å; Y20-F88 HydrophobicContact CG-CE2 4.39Å; Y20-F88 HydrophobicContact CG-CZ 4.17Å; Y20-I92 HydrophobicContact CD2-CD1 4.01Å; Y20-I92 HydrophobicContact CE2-CD1 3.51Å; Y20-I92 HydrophobicContact CE2-CG1 4.22Å
21S93.5Very high92.9Very high6 Ų661.8 Ų61.84%0.04232%0.319CS..THydrogen-bonded Turntrans-68.6-10.3176.569.30000114.4I17 E18 H19 G58 Q62I17-S21 VanDerWaalsContact O-CB 3.32Å; I17-S21 WeakPolarHBondContact O-CB 3.39Å; I17-S21 PolarHBondContact O-N 3.33Å; I17-S21 PolarHBondContact O-OG 3.44Å; E18-S21 WeakPolarHBondContact CA-OG 3.4Å; E18-S21 PolarHBondContact O-OG 2.99Å; H19-S21 VanDerWaalsContact C-N 3.33Å; H19-S21 PolarHBondContact O-N 3.14Å; S21-G58 WeakPolarHBondContact CB-O 3.28Å; S21-Q62 WeakPolarHBondContact OG-CG 3.16Å
22K93.2Very high93.7Very high141 Ų14163.5 Ų63.561%0.61332%0.32SS*.THydrogen-bonded Turntrans-84.5-13.2177.1-69.1168.3-173.2171.80112.8E18 H19 Y20E18-K22 WeakPolarHBondContact O-CE 3.45Å; E18-K22 WeakPolarHBondContact O-CG 3.39Å; E18-K22 WeakPolarHBondContact OE1-CE 3.48Å; E18-K22 IonicContact OE1-NZ 3.58Å; E18-K22 PolarHBondContact OE1-NZ 3.33Å; H19-K22 WeakPolarHBondContact O-CB 3.34Å; H19-K22 PolarHBondContact O-N 2.89Å; Y20-K22 PolarHBondContact O-N 3.07Å
23F95.2Very high94.2Very high100 Ų10056.8 Ų56.844%0.43929%0.291SS..SBendtrans-90.3150.9177.2-59.2-83.9000111H19 Y20 V55 N59H19-F23 AromaticContact CD2-CE2 3.9Å; H19-F23 AromaticContact CE1-CE2 3.8Å; H19-F23 AromaticContact CE1-CZ 3.81Å; H19-F23 AromaticContact NE2-CE2 3.54Å; H19-F23 AromaticContact NE2-CZ 3.76Å; H19-F23 WeakPolarHBondContact O-CD2 3.44Å; H19-F23 WeakPolarHBondContact O-CE2 3.35Å; Y20-F23 PolarHBondContact O-N 3.46Å; F23-V55 HydrophobicContact CB-CG1 3.84Å; F23-V55 HydrophobicContact CB-CG2 3.82Å; F23-V55 HydrophobicContact CD2-CG2 4.43Å; F23-V55 HydrophobicContact CG-CG2 4.41Å; F23-V55 WeakPolarHBondContact O-CG1 3.45Å; F23-N59 PolarHBondContact O-ND2 3.48Å
24T95Very high94.6Very high102 Ų10256.4 Ų56.463%0.62629%0.289SS*.PPolyproline II helixtrans-84.8123.7175.7-54.10000109.1L441T24-L441 HydrophobicContact CG2-CD1 4.3Å; T24-L441 HydrophobicContact CG2-CD2 3.64Å
25P96.4Very high94.9Very high10 Ų1059.5 Ų59.57%0.06530%0.297CS..PPolyproline II helixtrans-53.9142.7168.4-25.533.9000112.3S27 E52 V55 R56 I439 L441P25-S27 PolarHBondContact O-N 2.93Å; P25-E52 WeakPolarHBondContact CA-OE1 3.3Å; P25-E52 WeakPolarHBondContact CB-OE1 3.43Å; P25-V55 HydrophobicContact CG-CG1 4.05Å; P25-R56 HydrophobicContact CB-CG 3.97Å; P25-R56 HydrophobicContact CG-CG 4.27Å; P25-I439 HydrophobicContact CB-CG2 3.77Å; P25-I439 HydrophobicContact CG-CG2 3.88Å; P25-L441 HydrophobicContact CG-CD2 4.37Å
26V96.2Very high94.9Very high67 Ų6755.5 Ų55.541%0.40628%0.279SS..PPolyproline II helixtrans-77.5123.1173.4179.90000109L28 F48 E52 R56V26-L28 HydrophobicContact CG1-CD2 3.88Å; V26-L28 HydrophobicContact CG1-CG 4.4Å; V26-F48 HydrophobicContact CB-CE2 4.26Å; V26-F48 HydrophobicContact CB-CZ 4.37Å; V26-F48 HydrophobicContact CG1-CE2 4.43Å; V26-F48 HydrophobicContact CG2-CE2 4.42Å; V26-E52 PolarHBondContact N-OE1 3.47Å; V26-E52 PolarHBondContact N-OE2 3.21Å; V26-R56 PolarHBondContact O-NH2 3.32Å
27S95.3Very high94.8Very high55 Ų5553.2 Ų53.239%0.38527%0.271SS..PPolyproline II helixtrans-86.4117.8171.5174.30000109.4P25 E437P25-S27 PolarHBondContact O-N 2.93Å; S27-E437 PolarHBondContact OG-O 2.84Å
28L96.6Very high94.8Very high30 Ų3058.4 Ų58.416%0.15730%0.295CS..PPolyproline II helixtrans-100.1146.1175.8-58.1172.5000110.3V26 D32 L33 F48 L164 E437V26-L28 HydrophobicContact CG1-CD2 3.88Å; V26-L28 HydrophobicContact CG1-CG 4.4Å; L28-D32 HydrophobicContact CB-CB 4.25Å; L28-D32 HydrophobicContact CD2-CB 4.26Å; L28-L33 HydrophobicContact CB-CD2 4.35Å; L28-L33 HydrophobicContact CB-CG 4.14Å; L28-L33 HydrophobicContact CD1-CD2 3.62Å; L28-L33 HydrophobicContact CD1-CG 4.31Å; L28-F48 HydrophobicContact CD1-CE1 4Å; L28-F48 HydrophobicContact CD1-CZ 3.87Å; L28-F48 HydrophobicContact CG-CZ 4.48Å; L28-L164 HydrophobicContact CD1-CD2 3.93Å; L28-E437 VanDerWaalsContact CB-OE2 3.3Å; L28-E437 WeakPolarHBondContact CB-OE2 3.39Å; L28-E437 PolarHBondContact N-OE2 2.83Å; L28-E437 VanDerWaalsContact O-CG 3.3Å; L28-E437 WeakPolarHBondContact O-CG 3.3Å; L28-E437 PolarHBondContact O-N 3.39Å
29S97.7Very high94.6Very high4 Ų458.9 Ų58.93%0.02830%0.304CS..BIsolated β-bridgetrans-8216216567.50000111.3K31 D32 L33 A435S29-K31 PolarHBondContact O-N 3.34Å; S29-K31 PolarHBondContact OG-N 3.26Å; S29-D32 WeakPolarHBondContact CB-OD2 3.37Å; S29-D32 PolarHBondContact N-OD2 3.08Å; S29-D32 WeakPolarHBondContact O-CB 3.4Å; S29-D32 PolarHBondContact O-N 3.5Å; S29-D32 VanDerWaalsContact O-N 3.09Å; S29-D32 PolarHBondContact OG-N 2.69Å; S29-D32 PolarHBondContact OG-OD2 3.02Å; S29-L33 PolarHBondContact O-N 2.94Å; S29-L33 VanDerWaalsContact O-N 3.07Å; S29-A435 CarbonylContact C-O 3.55Å; S29-A435 WeakPolarHBondContact CA-O 3.2Å
30L97.3Very high94.6Very high0 Ų055.1 Ų55.10%029%0.289CS..Hα-helixtrans-55.4-35.4167.8-77.2-177.4000111.8L33 L34 I186 C273 Y274 I275 L408 S432 A435L30-L33 PolarHBondContact O-N 3.04Å; L30-L34 VanDerWaalsContact O-CB 3.23Å; L30-L34 WeakPolarHBondContact O-CB 3.48Å; L30-L34 PolarHBondContact O-N 3.49Å; L30-I186 HydrophobicContact CD2-CD1 4.18Å; L30-I186 HydrophobicContact CD2-CG1 4.4Å; L30-C273 WeakPolarHBondContact CD1-O 3.23Å; L30-Y274 HydrophobicContact CD1-CD2 3.87Å; L30-Y274 HydrophobicContact CD1-CE2 4.44Å; L30-I275 HydrophobicContact CD2-CD1 4.09Å; L30-I275 HydrophobicContact CD2-CG1 3.97Å; L30-L408 HydrophobicContact CD1-CD1 4.08Å; L30-L408 HydrophobicContact CD2-CD1 3.89Å; L30-L408 HydrophobicContact CD2-CD2 4.07Å; L30-L408 HydrophobicContact CG-CD1 4.1Å; L30-L408 HydrophobicContact CG-CD2 4.06Å; L30-S432 PolarHBondContact N-O 2.89Å; L30-A435 HydrophobicContact CB-CB 4.15Å; L30-A435 HydrophobicContact CD1-CB 3.7Å; L30-A435 HydrophobicContact CG-CB 3.83Å; L30-A435 PolarHBondContact N-O 2.78Å
31K97.2Very high94.5Very high96 Ų9656.7 Ų56.742%0.41730%0.303SS..Hα-helixtrans-63.9-41175.8-176.7175.4-177.4174.60112.2S29 L34 L35 S432 Q433S29-K31 PolarHBondContact O-N 3.34Å; S29-K31 PolarHBondContact OG-N 3.26Å; K31-L34 PolarHBondContact O-N 3.49Å; K31-L35 WeakPolarHBondContact O-CB 3.49Å; K31-L35 PolarHBondContact O-N 2.67Å; K31-S432 PolarHBondContact N-O 2.91Å; K31-S432 VanDerWaalsContact N-O 3.13Å; K31-Q433 HydrophobicContact CB-CB 4.4Å; K31-Q433 HydrophobicContact CD-CB 3.77Å
32D96.7Very high94.5Very high74 Ų7457.7 Ų57.740%0.39631%0.311SS..Hα-helixtrans-64.1-46.2177.2-60.7-47.6000110.7L28 S29 L34 F36L28-D32 HydrophobicContact CB-CB 4.25Å; L28-D32 HydrophobicContact CD2-CB 4.26Å; S29-D32 WeakPolarHBondContact CB-OD2 3.37Å; S29-D32 PolarHBondContact N-OD2 3.08Å; S29-D32 WeakPolarHBondContact O-CB 3.4Å; S29-D32 PolarHBondContact O-N 3.5Å; S29-D32 VanDerWaalsContact O-N 3.09Å; S29-D32 PolarHBondContact OG-N 2.69Å; S29-D32 PolarHBondContact OG-OD2 3.02Å; D32-L34 VanDerWaalsContact C-N 3.33Å; D32-L34 PolarHBondContact O-N 3.44Å; D32-F36 WeakPolarHBondContact O-CB 3.18Å; D32-F36 PolarHBondContact O-N 2.78Å
33L95.5Very high94.6Very high9 Ų952.9 Ų52.95%0.04730%0.296CS..Hα-helixtrans-63.2-38.9177.9-69170.1000112.5L28 S29 L30 G37 T163 L164 I186L28-L33 HydrophobicContact CB-CD2 4.35Å; L28-L33 HydrophobicContact CB-CG 4.14Å; L28-L33 HydrophobicContact CD1-CD2 3.62Å; L28-L33 HydrophobicContact CD1-CG 4.31Å; S29-L33 PolarHBondContact O-N 2.94Å; S29-L33 VanDerWaalsContact O-N 3.07Å; L30-L33 PolarHBondContact O-N 3.04Å; L33-G37 PolarHBondContact O-N 3.05Å; L33-T163 HydrophobicContact CD1-CG2 4.19Å; L33-L164 HydrophobicContact CD2-CD2 3.97Å; L33-I186 HydrophobicContact CB-CD1 3.4Å; L33-I186 VanDerWaalsContact CB-CD1 3.4Å; L33-I186 HydrophobicContact CD1-CD1 4.2Å; L33-I186 HydrophobicContact CG-CD1 4.44Å
34L94.3Very high94.7Very high23 Ų2354.2 Ų54.212%0.1230%0.301CS..Hα-helixtrans-65.3-58.2176.9179.264000111.1L30 K31 D32 F36 G37 E38 V183 I186 P188L30-L34 VanDerWaalsContact O-CB 3.23Å; L30-L34 WeakPolarHBondContact O-CB 3.48Å; L30-L34 PolarHBondContact O-N 3.49Å; K31-L34 PolarHBondContact O-N 3.49Å; D32-L34 VanDerWaalsContact C-N 3.33Å; D32-L34 PolarHBondContact O-N 3.44Å; L34-F36 PolarHBondContact O-N 2.65Å; L34-G37 PolarHBondContact O-N 2.86Å; L34-E38 HydrophobicContact CD1-CG 4.49Å; L34-E38 WeakPolarHBondContact O-CG 3.47Å; L34-E38 PolarHBondContact O-N 3.33Å; L34-V183 HydrophobicContact CD1-CB 3.58Å; L34-V183 HydrophobicContact CD1-CG1 4.15Å; L34-V183 HydrophobicContact CD1-CG2 3.43Å; L34-V183 VanDerWaalsContact CD1-CG2 3.43Å; L34-I186 HydrophobicContact CD1-CG2 4.47Å; L34-P188 HydrophobicContact CD1-CG 3.8Å
35L94.2Very high94.7Very high101 Ų10149.8 Ų49.853%0.52927%0.274SS..Hα-helixtrans-58.4-37.9-179.2178.462.9000111.8K31 T39K31-L35 WeakPolarHBondContact O-CB 3.49Å; K31-L35 PolarHBondContact O-N 2.67Å; L35-T39 PolarHBondContact O-OG1 2.64Å
36F93.2Very high94.7Very high67 Ų6749.3 Ų49.329%0.29427%0.271SS..Hα-helixtrans-63.1-49.4175.1-172.5-85.5000111.2D32 L34 E38 T39 A40 K44D32-F36 WeakPolarHBondContact O-CB 3.18Å; D32-F36 PolarHBondContact O-N 2.78Å; L34-F36 PolarHBondContact O-N 2.65Å; F36-E38 VanDerWaalsContact C-N 3.32Å; F36-E38 PolarHBondContact O-N 3.23Å; F36-T39 PolarHBondContact O-N 3.35Å; F36-A40 HydrophobicContact CD1-CB 3.81Å; F36-A40 HydrophobicContact CD2-CB 3.91Å; F36-A40 HydrophobicContact CE1-CB 3.61Å; F36-A40 HydrophobicContact CE2-CB 3.73Å; F36-A40 HydrophobicContact CG-CB 3.94Å; F36-A40 HydrophobicContact CZ-CB 3.56Å; F36-A40 WeakPolarHBondContact O-CA 3.48Å; F36-A40 WeakPolarHBondContact O-CB 3.06Å; F36-A40 PolarHBondContact O-N 2.69Å; F36-K44 HydrophobicContact CE2-CB 4.26Å; F36-K44 HydrophobicContact CZ-CB 3.98Å
37G90.9Very high94.8Very high11 Ų1149.3 Ų49.311%0.11327%0.269CS..Hα-helixtrans-67.7-28.6-177.400000114.5L33 L34 T39 L171 V183L33-G37 PolarHBondContact O-N 3.05Å; L34-G37 PolarHBondContact O-N 2.86Å; G37-T39 VanDerWaalsContact C-N 3.34Å; G37-T39 PolarHBondContact O-N 3.37Å; G37-L171 VanDerWaalsContact CA-CD1 3.49Å; G37-V183 VanDerWaalsContact CA-CG1 3.42Å
38E90.4Very high94.8Very high115 Ų11549.5 Ų49.554%0.53726%0.263SS..Hα-helixtrans-68.7-30.8177.5-72.4175.717200113.3L34 F36 V183L34-E38 HydrophobicContact CD1-CG 4.49Å; L34-E38 WeakPolarHBondContact O-CG 3.47Å; L34-E38 PolarHBondContact O-N 3.33Å; F36-E38 VanDerWaalsContact C-N 3.32Å; F36-E38 PolarHBondContact O-N 3.23Å; E38-V183 HydrophobicContact CG-CG1 4.28Å; E38-V183 HydrophobicContact CG-CG2 3.7Å
39T89.8Confident94.9Very high104 Ų10448.2 Ų48.264%0.63826%0.256SS*.Hα-helixtrans-128.5-24.3-164.3630000114.6L35 F36 G37L35-T39 PolarHBondContact O-OG1 2.64Å; F36-T39 PolarHBondContact O-N 3.35Å; G37-T39 VanDerWaalsContact C-N 3.34Å; G37-T39 PolarHBondContact O-N 3.37Å
40A93Very high94.8Very high10 Ų1048.5 Ų48.58%0.08326%0.257CS..  trans-81.3134-172.100000111.5F36 K44 Y172F36-A40 HydrophobicContact CD1-CB 3.81Å; F36-A40 HydrophobicContact CD2-CB 3.91Å; F36-A40 HydrophobicContact CE1-CB 3.61Å; F36-A40 HydrophobicContact CE2-CB 3.73Å; F36-A40 HydrophobicContact CG-CB 3.94Å; F36-A40 HydrophobicContact CZ-CB 3.56Å; F36-A40 WeakPolarHBondContact O-CA 3.48Å; F36-A40 WeakPolarHBondContact O-CB 3.06Å; F36-A40 PolarHBondContact O-N 2.69Å; A40-K44 HydrophobicContact CB-CB 4.21Å; A40-K44 HydrophobicContact CB-CD 4.35Å; A40-Y172 WeakPolarHBondContact O-CE1 3.24Å; A40-Y172 PolarHBondContact O-OH 3.43Å
41P93.2Very high94.8Very high66 Ų6653.9 Ų53.943%0.42928%0.278SS..  trans-71.3158.5170.131.3-35.8000111.1S43 K44 S45P41-S43 PolarHBondContact O-N 2.95Å; P41-K44 HydrophobicContact CG-CB 4.41Å; P41-K44 HydrophobicContact CG-CD 4.47Å; P41-K44 HydrophobicContact CG-CG 4.02Å; P41-K44 PolarHBondContact O-N 3.11Å; P41-S45 PolarHBondContact O-N 2.88Å
42A93.8Very high94.8Very high26 Ų2649.8 Ų49.822%0.21526%0.26CS..Hα-helixtrans-50.3-34.2177.200000113.4K44 S45 F46 V105 Y172A42-K44 PolarHBondContact O-N 2.57Å; A42-S45 PolarHBondContact O-N 3.41Å; A42-F46 WeakPolarHBondContact O-CB 3.43Å; A42-F46 PolarHBondContact O-N 3.47Å; A42-V105 HydrophobicContact CB-CG1 3.69Å; A42-Y172 HydrophobicContact CB-CD1 3.52Å; A42-Y172 HydrophobicContact CB-CD2 4.1Å; A42-Y172 HydrophobicContact CB-CE1 4Å; A42-Y172 HydrophobicContact CB-CG 3.56Å; A42-Y172 VanDerWaalsContact N-CE1 3.33Å
43S95.7Very high94.9Very high41 Ų4146.3 Ų46.329%0.28724%0.242SC..Hα-helixtrans-63.8-34.2177.957.60000113.8P41 D47 T99P41-S43 PolarHBondContact O-N 2.95Å; S43-D47 WeakPolarHBondContact O-CB 3.34Å; S43-D47 PolarHBondContact O-N 2.74Å; S43-T99 WeakPolarHBondContact CB-O 3.28Å
44K95.9Very high95Very high128 Ų12845.9 Ų45.956%0.55724%0.24SC*.Hα-helixtrans-72.2-39.9173.9-76.4-165.6-176.31790111.1F36 A40 P41 A42 D47 F48F36-K44 HydrophobicContact CE2-CB 4.26Å; F36-K44 HydrophobicContact CZ-CB 3.98Å; A40-K44 HydrophobicContact CB-CB 4.21Å; A40-K44 HydrophobicContact CB-CD 4.35Å; P41-K44 HydrophobicContact CG-CB 4.41Å; P41-K44 HydrophobicContact CG-CD 4.47Å; P41-K44 HydrophobicContact CG-CG 4.02Å; P41-K44 PolarHBondContact O-N 3.11Å; A42-K44 PolarHBondContact O-N 2.57Å; K44-D47 PolarHBondContact O-N 3.27Å; K44-F48 PolarHBondContact O-N 2.99Å
45S95.9Very high95.1Very high8 Ų845.4 Ų45.46%0.05624%0.237CC..Hα-helixtrans-62.8-46.6177.1-173.10000110.7P41 A42 D47 F48 L49 H168P41-S45 PolarHBondContact O-N 2.88Å; A42-S45 PolarHBondContact O-N 3.41Å; S45-D47 VanDerWaalsContact C-N 3.35Å; S45-D47 PolarHBondContact O-N 3.41Å; S45-F48 PolarHBondContact O-N 2.99Å; S45-L49 WeakPolarHBondContact O-CB 3.44Å; S45-L49 VanDerWaalsContact O-CG 3.28Å; S45-L49 WeakPolarHBondContact O-CG 3.34Å; S45-L49 PolarHBondContact O-N 3.25Å; S45-H168 WeakPolarHBondContact CB-ND1 3.01Å; S45-H168 PolarHBondContact OG-ND1 3.35Å
46F97.1Very high95.3Very high0 Ų040.6 Ų40.60%021%0.212CC..Hα-helixtrans-56.4-45.8172.4169.2-114.2000112.6A42 F48 L49 K50 Y94 C97 T99 T104 V105 F108A42-F46 WeakPolarHBondContact O-CB 3.43Å; A42-F46 PolarHBondContact O-N 3.47Å; F46-F48 VanDerWaalsContact C-N 3.33Å; F46-F48 PolarHBondContact O-N 2.95Å; F46-L49 PolarHBondContact O-N 2.96Å; F46-K50 HydrophobicContact CE1-CD 4.08Å; F46-K50 HydrophobicContact CE2-CB 4.24Å; F46-K50 HydrophobicContact CE2-CD 4.39Å; F46-K50 HydrophobicContact CZ-CD 3.97Å; F46-K50 WeakPolarHBondContact O-CB 3.26Å; F46-K50 WeakPolarHBondContact O-CG 3.05Å; F46-K50 PolarHBondContact O-N 3.43Å; F46-Y94 AromaticContact CE2-CD1 3.78Å; F46-Y94 HydrophobicContact CE2-CD1 3.78Å; F46-Y94 AromaticContact CE2-CG 3.88Å; F46-Y94 HydrophobicContact CE2-CG 3.88Å; F46-Y94 AromaticContact CZ-CD1 3.94Å; F46-Y94 HydrophobicContact CZ-CD1 3.94Å; F46-Y94 HydrophobicContact CZ-CG 4.27Å; F46-C97 HydrophobicContact CZ-CB 4.35Å; F46-T99 HydrophobicContact CD1-CG2 4Å; F46-T99 HydrophobicContact CE1-CG2 4.12Å; F46-T104 HydrophobicContact CE1-CG2 4.24Å; F46-T104 HydrophobicContact CZ-CG2 3.82Å; F46-V105 HydrophobicContact CB-CG1 4.35Å; F46-V105 HydrophobicContact CB-CG2 4.28Å; F46-V105 HydrophobicContact CD1-CG2 3.9Å; F46-V105 HydrophobicContact CG-CG2 4.17Å; F46-F108 HydrophobicContact CD2-CB 3.72Å; F46-F108 AromaticContact CD2-CD1 3.68Å; F46-F108 HydrophobicContact CD2-CD1 3.68Å; F46-F108 AromaticContact CD2-CD2 3.67Å; F46-F108 HydrophobicContact CD2-CD2 3.67Å; F46-F108 HydrophobicContact CD2-CE1 4.18Å; F46-F108 HydrophobicContact CD2-CE2 4.17Å; F46-F108 AromaticContact CD2-CG 3.39Å; F46-F108 HydrophobicContact CD2-CG 3.39Å; F46-F108 HydrophobicContact CD2-CZ 4.42Å; F46-F108 HydrophobicContact CE2-CB 3.83Å; F46-F108 HydrophobicContact CE2-CD1 4.46Å; F46-F108 AromaticContact CE2-CD2 3.69Å; F46-F108 HydrophobicContact CE2-CD2 3.69Å; F46-F108 HydrophobicContact CE2-CE2 4.36Å; F46-F108 AromaticContact CE2-CG 3.74Å; F46-F108 HydrophobicContact CE2-CG 3.74Å
47D96.6Very high95.5Very high67 Ų6737.6 Ų37.636%0.35820%0.199SC..Hα-helixtrans-62.5-39-179.4-163.344.2000112.8S43 K44 S45 K50 Y51 T99S43-D47 WeakPolarHBondContact O-CB 3.34Å; S43-D47 PolarHBondContact O-N 2.74Å; K44-D47 PolarHBondContact O-N 3.27Å; S45-D47 VanDerWaalsContact C-N 3.35Å; S45-D47 PolarHBondContact O-N 3.41Å; D47-K50 WeakPolarHBondContact O-CG 3.25Å; D47-K50 WeakPolarHBondContact OD1-CE 3.35Å; D47-K50 IonicContact OD1-NZ 3.72Å; D47-K50 PolarHBondContact OD1-NZ 2.8Å; D47-Y51 WeakPolarHBondContact O-CD2 3.31Å; D47-T99 HydrophobicContact CB-CG2 3.58Å; D47-T99 WeakPolarHBondContact OD1-CG2 3.39Å
48F96.9Very high95.7Very high60 Ų6037.1 Ų37.126%0.26319%0.194SC..Hα-helixtrans-67-53.3173.5174.7-106.7000111.5V26 L28 K44 S45 F46 K50 Y51 E52 L164V26-F48 HydrophobicContact CB-CE2 4.26Å; V26-F48 HydrophobicContact CB-CZ 4.37Å; V26-F48 HydrophobicContact CG1-CE2 4.43Å; V26-F48 HydrophobicContact CG2-CE2 4.42Å; L28-F48 HydrophobicContact CD1-CE1 4Å; L28-F48 HydrophobicContact CD1-CZ 3.87Å; L28-F48 HydrophobicContact CG-CZ 4.48Å; K44-F48 PolarHBondContact O-N 2.99Å; S45-F48 PolarHBondContact O-N 2.99Å; F46-F48 VanDerWaalsContact C-N 3.33Å; F46-F48 PolarHBondContact O-N 2.95Å; F48-K50 PolarHBondContact O-N 2.69Å; F48-Y51 PolarHBondContact O-N 2.98Å; F48-E52 HydrophobicContact CD1-CB 4.37Å; F48-E52 HydrophobicContact CE1-CB 3.96Å; F48-E52 HydrophobicContact CE1-CG 3.9Å; F48-E52 HydrophobicContact CE2-CB 4.11Å; F48-E52 HydrophobicContact CE2-CG 4.28Å; F48-E52 HydrophobicContact CZ-CB 3.82Å; F48-E52 HydrophobicContact CZ-CG 3.62Å; F48-E52 WeakPolarHBondContact O-CB 3.41Å; F48-E52 PolarHBondContact O-N 3.38Å; F48-L164 HydrophobicContact CE1-CD1 4.07Å; F48-L164 HydrophobicContact CE1-CD2 4.13Å
49L97.9Very high95.9Very high3 Ų331.9 Ų31.92%0.01617%0.17CC..Hα-helixtrans-68.3-32.8-170.4-68.9177000114.1S45 F46 Y51 E52 L53 F108 L164 H168S45-L49 WeakPolarHBondContact O-CB 3.44Å; S45-L49 VanDerWaalsContact O-CG 3.28Å; S45-L49 WeakPolarHBondContact O-CG 3.34Å; S45-L49 PolarHBondContact O-N 3.25Å; F46-L49 PolarHBondContact O-N 2.96Å; L49-Y51 PolarHBondContact O-N 3.33Å; L49-E52 PolarHBondContact O-N 2.93Å; L49-L53 HydrophobicContact CB-CD1 3.91Å; L49-L53 HydrophobicContact CB-CG 4.17Å; L49-L53 HydrophobicContact CD2-CD1 4.36Å; L49-L53 HydrophobicContact CD2-CD2 4.32Å; L49-L53 HydrophobicContact CD2-CG 4.1Å; L49-L53 VanDerWaalsContact O-CB 3.28Å; L49-L53 WeakPolarHBondContact O-CB 3.35Å; L49-L53 WeakPolarHBondContact O-CG 3.38Å; L49-L53 PolarHBondContact O-N 2.99Å; L49-F108 HydrophobicContact CB-CE1 4.2Å; L49-F108 HydrophobicContact CB-CZ 3.7Å; L49-F108 HydrophobicContact CD1-CE1 4.01Å; L49-F108 HydrophobicContact CD1-CZ 4.19Å; L49-L164 HydrophobicContact CD2-CB 3.78Å; L49-L164 HydrophobicContact CD2-CD1 3.92Å; L49-L164 HydrophobicContact CD2-CG 4.31Å; L49-H168 HydrophobicContact CD1-CB 3.58Å
50K96.1Very high96.1Very high9 Ų927 Ų274%0.03914%0.14CC..Hα-helixtrans-63.7-20.6178.275.6-174.2-175.7-173.20112.9F46 D47 F48 P54F46-K50 HydrophobicContact CE1-CD 4.08Å; F46-K50 HydrophobicContact CE2-CB 4.24Å; F46-K50 HydrophobicContact CE2-CD 4.39Å; F46-K50 HydrophobicContact CZ-CD 3.97Å; F46-K50 WeakPolarHBondContact O-CB 3.26Å; F46-K50 WeakPolarHBondContact O-CG 3.05Å; F46-K50 PolarHBondContact O-N 3.43Å; D47-K50 WeakPolarHBondContact O-CG 3.25Å; D47-K50 WeakPolarHBondContact OD1-CE 3.35Å; D47-K50 IonicContact OD1-NZ 3.72Å; D47-K50 PolarHBondContact OD1-NZ 2.8Å; F48-K50 PolarHBondContact O-N 2.69Å; K50-P54 WeakPolarHBondContact O-CD 3.37Å; K50-P54 WeakPolarHBondContact O-CG 3.37Å
51Y96.3Very high96.2Very high114 Ų11426.7 Ų26.745%0.44714%0.137SC..Hα-helixtrans-102-40.3174.6-62.6-61.1000112.5D47 F48 L49 P54 V55D47-Y51 WeakPolarHBondContact O-CD2 3.31Å; F48-Y51 PolarHBondContact O-N 2.98Å; L49-Y51 PolarHBondContact O-N 3.33Å; Y51-P54 WeakPolarHBondContact O-CD 3.38Å; Y51-V55 WeakPolarHBondContact O-CG2 3.39Å
52E97.7Very high96.1Very high9 Ų925.4 Ų25.44%0.04213%0.125CC..Hα-helixtrans-71-42.9-177.3-179.460.8-160.800112.9P25 V26 F48 L49 V55 R56 L164P25-E52 WeakPolarHBondContact CA-OE1 3.3Å; P25-E52 WeakPolarHBondContact CB-OE1 3.43Å; V26-E52 PolarHBondContact N-OE1 3.47Å; V26-E52 PolarHBondContact N-OE2 3.21Å; F48-E52 HydrophobicContact CD1-CB 4.37Å; F48-E52 HydrophobicContact CE1-CB 3.96Å; F48-E52 HydrophobicContact CE1-CG 3.9Å; F48-E52 HydrophobicContact CE2-CB 4.11Å; F48-E52 HydrophobicContact CE2-CG 4.28Å; F48-E52 HydrophobicContact CZ-CB 3.82Å; F48-E52 HydrophobicContact CZ-CG 3.62Å; F48-E52 WeakPolarHBondContact O-CB 3.41Å; F48-E52 PolarHBondContact O-N 3.38Å; L49-E52 PolarHBondContact O-N 2.93Å; E52-V55 WeakPolarHBondContact O-CB 3.47Å; E52-V55 PolarHBondContact O-N 3.38Å; E52-V55 VanDerWaalsContact O-N 3.12Å; E52-R56 HydrophobicContact CG-CG 4.39Å; E52-R56 PolarHBondContact O-N 3.41Å; E52-R56 WeakPolarHBondContact OE1-CG 3.46Å; E52-R56 IonicContact OE1-CZ 3.81Å; E52-R56 IonicContact OE1-NE 2.71Å; E52-R56 PolarHBondContact OE1-NE 3.19Å; E52-R56 IonicContact OE1-NH2 3.72Å; E52-L164 HydrophobicContact CG-CD1 3.92Å
53L98Very high95.9Very high2 Ų224.2 Ų24.21%0.0112%0.115CC..Hα-helixtrans-62.8-44.1-176.9-66.6171.6000112.6L49 V55 R56 L57 I91 F108 I161 L165L49-L53 HydrophobicContact CB-CD1 3.91Å; L49-L53 HydrophobicContact CB-CG 4.17Å; L49-L53 HydrophobicContact CD2-CD1 4.36Å; L49-L53 HydrophobicContact CD2-CD2 4.32Å; L49-L53 HydrophobicContact CD2-CG 4.1Å; L49-L53 VanDerWaalsContact O-CB 3.28Å; L49-L53 WeakPolarHBondContact O-CB 3.35Å; L49-L53 WeakPolarHBondContact O-CG 3.38Å; L49-L53 PolarHBondContact O-N 2.99Å; L53-V55 VanDerWaalsContact C-N 3.29Å; L53-V55 PolarHBondContact O-N 2.84Å; L53-R56 PolarHBondContact O-N 3.36Å; L53-L57 VanDerWaalsContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CB 3.47Å; L53-L57 WeakPolarHBondContact O-CD1 3.47Å; L53-L57 VanDerWaalsContact O-CG 3.25Å; L53-L57 WeakPolarHBondContact O-CG 3.21Å; L53-L57 PolarHBondContact O-N 2.98Å; L53-I91 HydrophobicContact CB-CG2 4.11Å; L53-I91 HydrophobicContact CD1-CD1 3.99Å; L53-I91 HydrophobicContact CD1-CG1 4.41Å; L53-I91 HydrophobicContact CD1-CG2 4.48Å; L53-F108 HydrophobicContact CD1-CZ 4.14Å; L53-I161 HydrophobicContact CD2-CG2 4.2Å; L53-L165 HydrophobicContact CD1-CD2 3.6Å; L53-L165 HydrophobicContact CD2-CD2 4.1Å; L53-L165 HydrophobicContact CD2-CG 4.21Å
54P97.6Very high95.6Very high0 Ų022.5 Ų22.50%010%0.102CC..Hα-helixtrans-59.6-35.3172.4-27.738.2000113.7Y20 K50 Y51 G58 F88 I91Y20-P54 HydrophobicContact CD1-CB 3.52Å; Y20-P54 HydrophobicContact CD2-CB 4.34Å; Y20-P54 HydrophobicContact CE1-CB 3.67Å; Y20-P54 HydrophobicContact CE1-CG 4.38Å; Y20-P54 HydrophobicContact CE2-CB 4.48Å; Y20-P54 HydrophobicContact CG-CB 3.85Å; K50-P54 WeakPolarHBondContact O-CD 3.37Å; K50-P54 WeakPolarHBondContact O-CG 3.37Å; Y51-P54 WeakPolarHBondContact O-CD 3.38Å; P54-G58 WeakPolarHBondContact O-CA 3.11Å; P54-G58 PolarHBondContact O-N 3.07Å; P54-F88 HydrophobicContact CB-CD2 4.49Å; P54-F88 HydrophobicContact CB-CE2 3.97Å; P54-F88 HydrophobicContact CB-CZ 4.39Å; P54-F88 WeakPolarHBondContact O-CE2 3.03Å; P54-I91 HydrophobicContact CG-CB 4.42Å; P54-I91 HydrophobicContact CG-CG2 3.69Å
55V97.5Very high95.2Very high12 Ų1220.8 Ų20.87%0.07310%0.096CC..Hα-helixtrans-64.4-50.9175.6175.30000110.5Y20 F23 P25 Y51 E52 L53 G58 N59Y20-V55 HydrophobicContact CD1-CG2 3.82Å; F23-V55 HydrophobicContact CB-CG1 3.84Å; F23-V55 HydrophobicContact CB-CG2 3.82Å; F23-V55 HydrophobicContact CD2-CG2 4.43Å; F23-V55 HydrophobicContact CG-CG2 4.41Å; F23-V55 WeakPolarHBondContact O-CG1 3.45Å; P25-V55 HydrophobicContact CG-CG1 4.05Å; Y51-V55 WeakPolarHBondContact O-CG2 3.39Å; E52-V55 WeakPolarHBondContact O-CB 3.47Å; E52-V55 PolarHBondContact O-N 3.38Å; E52-V55 VanDerWaalsContact O-N 3.12Å; L53-V55 VanDerWaalsContact C-N 3.29Å; L53-V55 PolarHBondContact O-N 2.84Å; V55-G58 PolarHBondContact O-N 3.4Å; V55-N59 WeakPolarHBondContact O-CB 3.47Å; V55-N59 PolarHBondContact O-N 3.4Å; V55-N59 PolarHBondContact O-ND2 2.93Å
56R97.5Very high94.8Very high1 Ų122.6 Ų22.60%0.00411%0.105CC..Hα-helixtrans-61.1-45.7178.6-68.1-174.7-178.9-153.4-2.7112P25 V26 E52 L53 I60 G160 I161 E437P25-R56 HydrophobicContact CB-CG 3.97Å; P25-R56 HydrophobicContact CG-CG 4.27Å; V26-R56 PolarHBondContact O-NH2 3.32Å; E52-R56 HydrophobicContact CG-CG 4.39Å; E52-R56 PolarHBondContact O-N 3.41Å; E52-R56 WeakPolarHBondContact OE1-CG 3.46Å; E52-R56 IonicContact OE1-CZ 3.81Å; E52-R56 IonicContact OE1-NE 2.71Å; E52-R56 PolarHBondContact OE1-NE 3.19Å; E52-R56 IonicContact OE1-NH2 3.72Å; L53-R56 PolarHBondContact O-N 3.36Å; R56-I60 PolarHBondContact O-N 3.33Å; R56-G160 VanDerWaalsContact NH1-C 3.3Å; R56-G160 PolarHBondContact NH1-O 3.24Å; R56-G160 VanDerWaalsContact NH1-O 3.13Å; R56-I161 HydrophobicContact CB-CD1 4.01Å; R56-I161 HydrophobicContact CB-CG1 3.77Å; R56-E437 IonicContact CZ-OE1 3.69Å; R56-E437 IonicContact CZ-OE2 2.76Å; R56-E437 IonicContact NH1-OE1 3.3Å; R56-E437 PolarHBondContact NH1-OE1 2.84Å; R56-E437 IonicContact NH1-OE2 3.89Å; R56-E437 IonicContact NH2-OE1 2.83Å; R56-E437 PolarHBondContact NH2-OE1 2.84Å; R56-E437 VanDerWaalsContact NH2-OE1 3.09Å; R56-E437 IonicContact NH2-OE2 3.48Å; R56-E437 PolarHBondContact NH2-OE2 2.85Å
57L97.1Very high94.2Very high4 Ų422.9 Ų22.92%0.02111%0.106CC..Hα-helixtrans-63.7-45.3176.4-72166.3000111.6L53 N59 I60 M61 Y84 T87 F88 I161L53-L57 VanDerWaalsContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CB 3.47Å; L53-L57 WeakPolarHBondContact O-CD1 3.47Å; L53-L57 VanDerWaalsContact O-CG 3.25Å; L53-L57 WeakPolarHBondContact O-CG 3.21Å; L53-L57 PolarHBondContact O-N 2.98Å; L57-N59 PolarHBondContact O-N 3.42Å; L57-I60 WeakPolarHBondContact O-CG2 3.32Å; L57-I60 PolarHBondContact O-N 3.21Å; L57-M61 VanDerWaalsContact O-CB 3.28Å; L57-M61 WeakPolarHBondContact O-CB 3.46Å; L57-M61 WeakPolarHBondContact O-CG 3.37Å; L57-M61 PolarHBondContact O-N 2.86Å; L57-Y84 HydrophobicContact CD2-CD1 3.86Å; L57-Y84 HydrophobicContact CD2-CE1 4.25Å; L57-T87 HydrophobicContact CD1-CG2 3.91Å; L57-T87 HydrophobicContact CD2-CG2 4.32Å; L57-F88 HydrophobicContact CB-CD2 3.9Å; L57-F88 HydrophobicContact CD1-CB 4.43Å; L57-I161 HydrophobicContact CD2-CD1 3.97Å; L57-I161 HydrophobicContact CG-CD1 4.27Å
58G95.4Very high93.5Very high0 Ų020.7 Ų20.70%010%0.096CC..Hα-helixtrans-59.9-46.8178.800000112.3S21 P54 V55 M61 Q62S21-G58 WeakPolarHBondContact CB-O 3.28Å; P54-G58 WeakPolarHBondContact O-CA 3.11Å; P54-G58 PolarHBondContact O-N 3.07Å; V55-G58 PolarHBondContact O-N 3.4Å; G58-M61 PolarHBondContact O-N 3.39Å; G58-Q62 WeakPolarHBondContact O-CG 3.42Å; G58-Q62 PolarHBondContact O-N 3.25Å; G58-Q62 VanDerWaalsContact O-N 3.12Å
59N94.8Very high92.9Very high5 Ų521.7 Ų21.73%0.02710%0.104CC..Hα-helixtrans-55.5-54.5176.1-88.3-101.5000111.3F23 V55 L57 M61 Q62 E63 F442F23-N59 PolarHBondContact O-ND2 3.48Å; V55-N59 WeakPolarHBondContact O-CB 3.47Å; V55-N59 PolarHBondContact O-N 3.4Å; V55-N59 PolarHBondContact O-ND2 2.93Å; L57-N59 PolarHBondContact O-N 3.42Å; N59-M61 VanDerWaalsContact C-N 3.34Å; N59-M61 PolarHBondContact O-N 2.71Å; N59-Q62 PolarHBondContact O-N 3.25Å; N59-E63 PolarHBondContact O-N 2.9Å; N59-F442 HydrophobicContact CB-CB 4.19Å; N59-F442 WeakPolarHBondContact OD1-CB 3.41Å; N59-F442 PolarHBondContact OD1-N 2.79Å
60I94.8Very high92.1Very high1 Ų124.8 Ų24.81%0.00512%0.123CC..Hα-helixtrans-70.8-32-176-167.558.8000112.8R56 L57 Q62 E63 I64 Y84 F154R56-I60 PolarHBondContact O-N 3.33Å; L57-I60 WeakPolarHBondContact O-CG2 3.32Å; L57-I60 PolarHBondContact O-N 3.21Å; I60-Q62 VanDerWaalsContact C-N 3.3Å; I60-Q62 PolarHBondContact O-N 3.26Å; I60-E63 HydrophobicContact CD1-CB 4.16Å; I60-E63 WeakPolarHBondContact O-CB 3.37Å; I60-E63 PolarHBondContact O-N 3.34Å; I60-E63 VanDerWaalsContact O-N 3.11Å; I60-I64 WeakPolarHBondContact O-CG1 3.26Å; I60-I64 PolarHBondContact O-N 3.25Å; I60-Y84 HydrophobicContact CG2-CD1 4.05Å; I60-Y84 HydrophobicContact CG2-CE1 3.84Å; I60-F154 VanDerWaalsContact CD1-CA 3.43Å; I60-F154 HydrophobicContact CD1-CB 3.98Å; I60-F154 HydrophobicContact CD1-CD2 4.03Å; I60-F154 HydrophobicContact CD1-CG 4.48Å; I60-F154 HydrophobicContact CG1-CD2 3.68Å; I60-F154 HydrophobicContact CG1-CE2 4.4Å; I60-F154 HydrophobicContact CG1-CG 4.5Å
61M93.7Very high91.5Very high4 Ų424.4 Ų24.42%0.0212%0.122CC..Hα-helixtrans-62.8-37.1174.4-73.7176.278.200111.8I17 L57 G58 N59 E63 I64 H65 Y84 E85 F88I17-M61 HydrophobicContact CD1-CE 3.41Å; I17-M61 VanDerWaalsContact CD1-CE 3.41Å; I17-M61 HydrophobicContact CD1-SD 4.16Å; I17-M61 HydrophobicContact CG1-CE 4.15Å; I17-M61 HydrophobicContact CG1-SD 4.26Å; I17-M61 HydrophobicContact CG2-CB 3.98Å; I17-M61 HydrophobicContact CG2-CE 4.46Å; I17-M61 HydrophobicContact CG2-SD 4.34Å; L57-M61 VanDerWaalsContact O-CB 3.28Å; L57-M61 WeakPolarHBondContact O-CB 3.46Å; L57-M61 WeakPolarHBondContact O-CG 3.37Å; L57-M61 PolarHBondContact O-N 2.86Å; G58-M61 PolarHBondContact O-N 3.39Å; N59-M61 VanDerWaalsContact C-N 3.34Å; N59-M61 PolarHBondContact O-N 2.71Å; M61-E63 VanDerWaalsContact C-N 3.25Å; M61-E63 PolarHBondContact O-N 3.23Å; M61-I64 PolarHBondContact O-N 3.42Å; M61-H65 PolarHBondContact O-CE1 3.44Å; M61-H65 PolarHBondContact O-N 3.43Å; M61-H65 PolarHBondContact O-ND1 2.93Å; M61-Y84 HydrophobicContact CG-CD1 4.35Å; M61-E85 HydrophobicContact CE-CB 4.14Å; M61-E85 HydrophobicContact CE-CG 3.35Å; M61-F88 HydrophobicContact SD-CB 4.16Å; M61-F88 HydrophobicContact SD-CD2 4.36Å; M61-F88 HydrophobicContact SD-CG 4.49Å
62Q91.2Very high90.9Very high39 Ų3922.9 Ų22.918%0.18212%0.115CC..Hα-helixtrans-60.7-36.9173.5-67.8-58.6-31.200112.2S21 G58 N59 I60 H65 L66 F442S21-Q62 WeakPolarHBondContact OG-CG 3.16Å; G58-Q62 WeakPolarHBondContact O-CG 3.42Å; G58-Q62 PolarHBondContact O-N 3.25Å; G58-Q62 VanDerWaalsContact O-N 3.12Å; N59-Q62 PolarHBondContact O-N 3.25Å; I60-Q62 VanDerWaalsContact C-N 3.3Å; I60-Q62 PolarHBondContact O-N 3.26Å; Q62-H65 WeakPolarHBondContact O-CB 3.36Å; Q62-H65 PolarHBondContact O-N 3.44Å; Q62-L66 PolarHBondContact O-N 3.26Å; Q62-F442 HydrophobicContact CB-CD1 3.61Å; Q62-F442 HydrophobicContact CB-CD2 3.91Å; Q62-F442 HydrophobicContact CB-CE1 3.5Å; Q62-F442 HydrophobicContact CB-CE2 3.79Å; Q62-F442 HydrophobicContact CB-CG 3.81Å; Q62-F442 HydrophobicContact CB-CZ 3.59Å; Q62-F442 HydrophobicContact CG-CD1 3.87Å; Q62-F442 HydrophobicContact CG-CE1 3.79Å; Q62-F442 HydrophobicContact CG-CG 4.47Å; Q62-F442 HydrophobicContact CG-CZ 4.33Å
63E91.1Very high90.4Very high1 Ų128.2 Ų28.21%0.00514%0.138CC..Hα-helixtrans-69.3-37.6176.6-63.5-162.8-135.700113.2N59 I60 M61 H65 L66 L67 F150 R153 F442 Y450N59-E63 PolarHBondContact O-N 2.9Å; I60-E63 HydrophobicContact CD1-CB 4.16Å; I60-E63 WeakPolarHBondContact O-CB 3.37Å; I60-E63 PolarHBondContact O-N 3.34Å; I60-E63 VanDerWaalsContact O-N 3.11Å; M61-E63 VanDerWaalsContact C-N 3.25Å; M61-E63 PolarHBondContact O-N 3.23Å; E63-H65 PolarHBondContact O-N 3.29Å; E63-L66 WeakPolarHBondContact O-CB 3.41Å; E63-L66 PolarHBondContact O-N 3.19Å; E63-L67 PolarHBondContact O-N 2.96Å; E63-F150 HydrophobicContact CB-CD2 4.25Å; E63-F150 HydrophobicContact CB-CE2 4.28Å; E63-R153 IonicContact OE1-CZ 3.32Å; E63-R153 IonicContact OE1-NE 3.53Å; E63-R153 PolarHBondContact OE1-NE 3.05Å; E63-R153 IonicContact OE1-NH2 2.81Å; E63-R153 PolarHBondContact OE1-NH2 3.37Å; E63-R153 VanDerWaalsContact OE2-CD 3.3Å; E63-R153 WeakPolarHBondContact OE2-CD 3.33Å; E63-R153 IonicContact OE2-CZ 2.85Å; E63-R153 IonicContact OE2-NE 3.53Å; E63-R153 PolarHBondContact OE2-NE 3.12Å; E63-R153 IonicContact OE2-NH2 3.33Å; E63-F442 HydrophobicContact CG-CD2 3.67Å; E63-F442 HydrophobicContact CG-CE2 4.27Å; E63-Y450 HydrophobicContact CG-CE2 4.48Å; E63-Y450 PolarHBondContact OE2-OH 2.84Å
64I89.6Confident89.9Confident5 Ų528.8 Ų28.83%0.02614%0.142CC..Hα-helixtrans-58.2-35.3173.6-62.9169.4000110.6I60 M61 L66 L67 C81 Y84 F150 F154I60-I64 WeakPolarHBondContact O-CG1 3.26Å; I60-I64 PolarHBondContact O-N 3.25Å; M61-I64 PolarHBondContact O-N 3.42Å; I64-L66 VanDerWaalsContact C-N 3.27Å; I64-L66 PolarHBondContact O-N 3.28Å; I64-L67 HydrophobicContact CG2-CD1 4.4Å; I64-L67 WeakPolarHBondContact O-CB 3.45Å; I64-L67 PolarHBondContact O-N 2.94Å; I64-C81 WeakPolarHBondContact CG2-SG 3.16Å; I64-Y84 HydrophobicContact CD1-CD1 4.47Å; I64-F150 HydrophobicContact CB-CE2 4.43Å; I64-F150 HydrophobicContact CG1-CE2 3.83Å; I64-F150 HydrophobicContact CG1-CZ 3.86Å; I64-F154 HydrophobicContact CD1-CD2 4.35Å; I64-F154 HydrophobicContact CD1-CE2 4.01Å; I64-F154 HydrophobicContact CG1-CD2 4.37Å; I64-F154 HydrophobicContact CG1-CE2 4.46Å
65H87.3Confident89.7Confident93 Ų9337.7 Ų37.743%0.43118%0.176SC..Hα-helixtrans-70.9-19.4176.5-67.4100.8000113.9M61 Q62 E63 L67M61-H65 PolarHBondContact O-CE1 3.44Å; M61-H65 PolarHBondContact O-N 3.43Å; M61-H65 PolarHBondContact O-ND1 2.93Å; Q62-H65 WeakPolarHBondContact O-CB 3.36Å; Q62-H65 PolarHBondContact O-N 3.44Å; E63-H65 PolarHBondContact O-N 3.29Å; H65-L67 VanDerWaalsContact C-N 3.35Å
66L86.7Confident89.4Confident46 Ų4637.6 Ų37.624%0.24118%0.175CC..THydrogen-bonded Turntrans-87.2-4.6176.1-63.2-177000113.4Q62 E63 I64 F442 K447 Y450Q62-L66 PolarHBondContact O-N 3.26Å; E63-L66 WeakPolarHBondContact O-CB 3.41Å; E63-L66 PolarHBondContact O-N 3.19Å; I64-L66 VanDerWaalsContact C-N 3.27Å; I64-L66 PolarHBondContact O-N 3.28Å; L66-F442 HydrophobicContact CD1-CE2 3.64Å; L66-F442 HydrophobicContact CD1-CZ 4.19Å; L66-F442 HydrophobicContact CG-CE2 4.5Å; L66-K447 HydrophobicContact CD1-CB 4.21Å; L66-K447 HydrophobicContact CD1-CG 3.87Å; L66-K447 HydrophobicContact CD2-CG 4.38Å; L66-Y450 HydrophobicContact CB-CD1 4.36Å; L66-Y450 HydrophobicContact CB-CD2 3.98Å; L66-Y450 HydrophobicContact CB-CE2 4.41Å; L66-Y450 HydrophobicContact CB-CG 3.95Å; L66-Y450 HydrophobicContact CD1-CD2 3.43Å; L66-Y450 VanDerWaalsContact CD1-CD2 3.43Å; L66-Y450 HydrophobicContact CD1-CE2 3.97Å; L66-Y450 HydrophobicContact CD1-CG 4.09Å; L66-Y450 HydrophobicContact CG-CD2 4.38Å
67L83.8Confident89Confident5 Ų537.7 Ų37.73%0.02618%0.176CC..SBendtrans-60.3144.9174.4-75.4178.2000111.6E63 I64 H65 D69 L71 R72 I77 F150E63-L67 PolarHBondContact O-N 2.96Å; I64-L67 HydrophobicContact CG2-CD1 4.4Å; I64-L67 WeakPolarHBondContact O-CB 3.45Å; I64-L67 PolarHBondContact O-N 2.94Å; H65-L67 VanDerWaalsContact C-N 3.35Å; L67-D69 PolarHBondContact O-N 3.32Å; L67-L71 HydrophobicContact CB-CB 4.31Å; L67-L71 HydrophobicContact CD1-CB 4.46Å; L67-L71 HydrophobicContact CD2-CD1 4.11Å; L67-R72 HydrophobicContact CB-CB 4.41Å; L67-I77 HydrophobicContact CD1-CG2 4.12Å; L67-F150 HydrophobicContact CD1-CD1 4.27Å; L67-F150 HydrophobicContact CD1-CE1 3.85Å; L67-F150 HydrophobicContact CD1-CE2 4.12Å; L67-F150 HydrophobicContact CD1-CZ 3.77Å; L67-F150 HydrophobicContact CD2-CB 3.89Å; L67-F150 HydrophobicContact CD2-CD1 3.61Å; L67-F150 HydrophobicContact CD2-CD2 3.8Å; L67-F150 HydrophobicContact CD2-CE1 4.06Å; L67-F150 HydrophobicContact CD2-CE2 4.24Å; L67-F150 HydrophobicContact CD2-CG 3.46Å; L67-F150 VanDerWaalsContact CD2-CG 3.46Å; L67-F150 HydrophobicContact CD2-CZ 4.36Å; L67-F150 HydrophobicContact CG-CD1 4.35Å; L67-F150 HydrophobicContact CG-CD2 4.09Å; L67-F150 HydrophobicContact CG-CE1 4.35Å; L67-F150 HydrophobicContact CG-CE2 4.1Å; L67-F150 HydrophobicContact CG-CG 4.22Å; L67-F150 HydrophobicContact CG-CZ 4.24Å
68P81.8Confident88.8Confident21 Ų2141.8 Ų41.814%0.13620%0.195CC..  trans-48.2142.1169.6-28.333.4000112.3V70 L71 R72 Q143P68-V70 PolarHBondContact O-N 3.41Å; P68-L71 HydrophobicContact CG-CD1 4.31Å; P68-L71 WeakPolarHBondContact O-CB 3.32Å; P68-L71 PolarHBondContact O-N 2.97Å; P68-R72 PolarHBondContact O-N 3.42Å; P68-Q143 HydrophobicContact CG-CG 4.49Å
69D84.3Confident88.7Confident81 Ų8146.1 Ų46.143%0.43322%0.215SC..Hα-helixtrans-51.4-36-177.2-101.324000113.5L67 R72 K73L67-D69 PolarHBondContact O-N 3.32Å; D69-R72 PolarHBondContact O-N 3.47Å; D69-R72 IonicContact OD1-CZ 3.64Å; D69-R72 IonicContact OD1-NE 2.67Å; D69-R72 IonicContact OD1-NH2 3.52Å; D69-R72 PolarHBondContact OD1-NH2 2.96Å; D69-R72 IonicContact OD2-NH2 3.45Å; D69-K73 WeakPolarHBondContact O-CB 3.37Å; D69-K73 WeakPolarHBondContact O-CG 3.32Å; D69-K73 PolarHBondContact O-N 3.38Å; D69-K73 VanDerWaalsContact OD2-CE 3.3Å; D69-K73 WeakPolarHBondContact OD2-CE 3.45Å; D69-K73 IonicContact OD2-NZ 2.76Å; D69-K73 PolarHBondContact OD2-NZ 3.01Å
70V83Confident88.6Confident69 Ų6946.1 Ų46.142%0.41822%0.215SC..Hα-helixtrans-62.1-47.3178.1-173.80000110.9P68 S74 I133P68-V70 PolarHBondContact O-N 3.41Å; V70-S74 PolarHBondContact O-N 2.85Å; V70-I133 HydrophobicContact CG1-CG2 3.53Å
71L82Confident88.5Confident1 Ų147.2 Ų47.21%0.00522%0.223CC..Hα-helixtrans-65.3-50.3175.6-78.3164.5000111.2L67 P68 K73 S74 I77 I130 I133 W139 L147L67-L71 HydrophobicContact CB-CB 4.31Å; L67-L71 HydrophobicContact CD1-CB 4.46Å; L67-L71 HydrophobicContact CD2-CD1 4.11Å; P68-L71 HydrophobicContact CG-CD1 4.31Å; P68-L71 WeakPolarHBondContact O-CB 3.32Å; P68-L71 PolarHBondContact O-N 2.97Å; L71-K73 PolarHBondContact O-N 3.11Å; L71-S74 WeakPolarHBondContact O-CB 3.49Å; L71-S74 PolarHBondContact O-N 2.77Å; L71-S74 VanDerWaalsContact O-N 3.08Å; L71-S74 PolarHBondContact O-OG 3.28Å; L71-I77 VanDerWaalsContact O-CB 3.26Å; L71-I77 WeakPolarHBondContact O-CB 3.49Å; L71-I77 WeakPolarHBondContact O-CG1 3.45Å; L71-I130 HydrophobicContact CD2-CG1 4.23Å; L71-I133 HydrophobicContact CD2-CD1 3.61Å; L71-I133 HydrophobicContact CG-CD1 4.24Å; L71-W139 HydrophobicContact CD1-CH2 3.45Å; L71-W139 VanDerWaalsContact CD1-CH2 3.45Å; L71-W139 HydrophobicContact CD1-CZ2 4.05Å; L71-W139 HydrophobicContact CD2-CH2 4.13Å; L71-W139 HydrophobicContact CG-CH2 3.6Å; L71-W139 HydrophobicContact CG-CZ3 4.25Å; L71-L147 HydrophobicContact CD1-CB 4.5Å; L71-L147 HydrophobicContact CD1-CD1 3.82Å; L71-L147 HydrophobicContact CD2-CD1 4.37Å
72R85Confident88.5Confident82 Ų8252.1 Ų52.131%0.30925%0.249SC..Hα-helixtrans-64-28.6-175.4-168.5179.35773.2-0.6113.2L67 P68 D69 Q78L67-R72 HydrophobicContact CB-CB 4.41Å; P68-R72 PolarHBondContact O-N 3.42Å; D69-R72 PolarHBondContact O-N 3.47Å; D69-R72 IonicContact OD1-CZ 3.64Å; D69-R72 IonicContact OD1-NE 2.67Å; D69-R72 IonicContact OD1-NH2 3.52Å; D69-R72 PolarHBondContact OD1-NH2 2.96Å; D69-R72 IonicContact OD2-NH2 3.45Å; R72-Q78 WeakPolarHBondContact O-CG 3.41Å
73K86Confident88.7Confident121 Ų12151.6 Ų51.653%0.52625%0.247SC..Hα-helixtrans-88.1-10.2177.1-69.4172.8-170.9164.70113.6D69 L71 Q78D69-K73 WeakPolarHBondContact O-CB 3.37Å; D69-K73 WeakPolarHBondContact O-CG 3.32Å; D69-K73 PolarHBondContact O-N 3.38Å; D69-K73 VanDerWaalsContact OD2-CE 3.3Å; D69-K73 WeakPolarHBondContact OD2-CE 3.45Å; D69-K73 IonicContact OD2-NZ 2.76Å; D69-K73 PolarHBondContact OD2-NZ 3.01Å; L71-K73 PolarHBondContact O-N 3.11Å; K73-Q78 PolarHBondContact O-NE2 3.42Å
74S88.7Confident88.9Confident14 Ų1451.7 Ų51.710%0.09825%0.247CC..SBendtrans-65145177.273.50000111.4V70 L71 S76 I77 Q78 I133V70-S74 PolarHBondContact O-N 2.85Å; L71-S74 WeakPolarHBondContact O-CB 3.49Å; L71-S74 PolarHBondContact O-N 2.77Å; L71-S74 VanDerWaalsContact O-N 3.08Å; L71-S74 PolarHBondContact O-OG 3.28Å; S74-S76 VanDerWaalsContact C-N 3.3Å; S74-S76 PolarHBondContact O-N 2.76Å; S74-I77 PolarHBondContact O-N 2.9Å; S74-I77 WeakPolarHBondContact OG-CB 3.25Å; S74-I77 WeakPolarHBondContact OG-CG1 3.29Å; S74-I77 PolarHBondContact OG-N 3.29Å; S74-Q78 WeakPolarHBondContact O-CB 3.44Å; S74-Q78 VanDerWaalsContact O-CG 3.32Å; S74-Q78 WeakPolarHBondContact O-CG 3.37Å; S74-Q78 PolarHBondContact O-N 3.36Å; S74-I133 VanDerWaalsContact CB-CD1 3.4Å
75R92.3Very high89.2Confident186 Ų18654.4 Ų54.470%0.70226%0.26SS*.Hα-helixtrans-56.1-45.8-177.7179-178.4175176.40.4112Q78 Q79R75-Q78 PolarHBondContact O-N 3.37Å; R75-Q79 WeakPolarHBondContact O-CG 3.49Å; R75-Q79 PolarHBondContact O-N 3.01Å
76S91.9Very high89.6Confident10 Ų1054.3 Ų54.37%0.0726%0.259CS..Hα-helixtrans-65.7-43.1-176.6-58.70000112S74 Q79 I80 V125 G129S74-S76 VanDerWaalsContact C-N 3.3Å; S74-S76 PolarHBondContact O-N 2.76Å; S76-Q79 WeakPolarHBondContact O-CB 3.31Å; S76-Q79 PolarHBondContact O-N 3.39Å; S76-I80 WeakPolarHBondContact O-CG1 3.48Å; S76-I80 PolarHBondContact O-N 3.32Å; S76-V125 WeakPolarHBondContact CB-O 3.43Å; S76-V125 WeakPolarHBondContact O-CG1 3.38Å; S76-G129 VanDerWaalsContact CB-CA 3.45Å
77I89.7Confident90Very high3 Ų352.4 Ų52.42%0.01525%0.25CS..Hα-helixtrans-70.7-37.9177.2-59.4-62.9000110.8L67 L71 S74 Q79 I80 C81 M126L67-I77 HydrophobicContact CD1-CG2 4.12Å; L71-I77 VanDerWaalsContact O-CB 3.26Å; L71-I77 WeakPolarHBondContact O-CB 3.49Å; L71-I77 WeakPolarHBondContact O-CG1 3.45Å; S74-I77 PolarHBondContact O-N 2.9Å; S74-I77 WeakPolarHBondContact OG-CB 3.25Å; S74-I77 WeakPolarHBondContact OG-CG1 3.29Å; S74-I77 PolarHBondContact OG-N 3.29Å; I77-Q79 VanDerWaalsContact C-N 3.3Å; I77-Q79 PolarHBondContact O-N 3.18Å; I77-I80 HydrophobicContact CD1-CD1 4.45Å; I77-I80 WeakPolarHBondContact O-CB 3.45Å; I77-I80 PolarHBondContact O-N 3.43Å; I77-I80 VanDerWaalsContact O-N 3.07Å; I77-C81 PolarHBondContact O-N 2.95Å; I77-C81 PolarHBondContact O-SG 3.41Å; I77-M126 HydrophobicContact CD1-CE 3.83Å; I77-M126 HydrophobicContact CD1-CG 4.19Å
78Q92.1Very high90.7Very high91 Ų9152.2 Ų52.243%0.42525%0.249SC..Hα-helixtrans-59.7-39.3173.1-74.7-179.8-13.500112.5R72 K73 S74 R75 I80 C81 L82R72-Q78 WeakPolarHBondContact O-CG 3.41Å; K73-Q78 PolarHBondContact O-NE2 3.42Å; S74-Q78 WeakPolarHBondContact O-CB 3.44Å; S74-Q78 VanDerWaalsContact O-CG 3.32Å; S74-Q78 WeakPolarHBondContact O-CG 3.37Å; S74-Q78 PolarHBondContact O-N 3.36Å; R75-Q78 PolarHBondContact O-N 3.37Å; Q78-I80 VanDerWaalsContact C-N 3.31Å; Q78-I80 PolarHBondContact O-N 3.44Å; Q78-C81 PolarHBondContact O-N 3.15Å; Q78-L82 VanDerWaalsContact O-CG 3.31Å; Q78-L82 WeakPolarHBondContact O-CG 3.44Å; Q78-L82 PolarHBondContact O-N 3.44Å
79Q93.3Very high91.3Very high90 Ų9055.3 Ų55.342%0.42126%0.264SS..Hα-helixtrans-60.8-40.8173.3-74.5175.1-16.800111.8R75 S76 I77 L83R75-Q79 WeakPolarHBondContact O-CG 3.49Å; R75-Q79 PolarHBondContact O-N 3.01Å; S76-Q79 WeakPolarHBondContact O-CB 3.31Å; S76-Q79 PolarHBondContact O-N 3.39Å; I77-Q79 VanDerWaalsContact C-N 3.3Å; I77-Q79 PolarHBondContact O-N 3.18Å; Q79-L83 WeakPolarHBondContact O-CB 3.34Å; Q79-L83 PolarHBondContact O-N 3.44Å
80I93.4Very high91.8Very high5 Ų552.7 Ų52.73%0.02625%0.253CS..Hα-helixtrans-66.5-44.2176.1-65.2174.5000110.8S76 I77 Q78 L82 L83 Y84 V122 V125 M126 F154S76-I80 WeakPolarHBondContact O-CG1 3.48Å; S76-I80 PolarHBondContact O-N 3.32Å; I77-I80 HydrophobicContact CD1-CD1 4.45Å; I77-I80 WeakPolarHBondContact O-CB 3.45Å; I77-I80 PolarHBondContact O-N 3.43Å; I77-I80 VanDerWaalsContact O-N 3.07Å; Q78-I80 VanDerWaalsContact C-N 3.31Å; Q78-I80 PolarHBondContact O-N 3.44Å; I80-L82 PolarHBondContact O-N 2.96Å; I80-L83 PolarHBondContact O-N 3.32Å; I80-Y84 HydrophobicContact CG2-CD2 3.86Å; I80-Y84 HydrophobicContact CG2-CE2 3.75Å; I80-Y84 WeakPolarHBondContact O-CD2 3.4Å; I80-Y84 PolarHBondContact O-N 3.15Å; I80-V122 HydrophobicContact CD1-CG1 4.4Å; I80-V125 HydrophobicContact CD1-CB 4.23Å; I80-V125 HydrophobicContact CD1-CG1 3.98Å; I80-V125 HydrophobicContact CG1-CB 4.42Å; I80-V125 HydrophobicContact CG1-CG1 3.94Å; I80-M126 HydrophobicContact CD1-CB 3.7Å; I80-M126 HydrophobicContact CD1-CE 3.65Å; I80-M126 HydrophobicContact CD1-CG 4.45Å; I80-M126 HydrophobicContact CG2-CE 4.29Å; I80-F154 HydrophobicContact CG2-CE2 4.21Å; I80-F154 HydrophobicContact CG2-CZ 3.92Å
81C92.1Very high92.4Very high24 Ų2449.5 Ų49.516%0.16223%0.233CC..Hα-helixtrans-55.1-50.9175.2-61.90000111.4I64 I77 Q78 L83 Y84 E85I64-C81 WeakPolarHBondContact CG2-SG 3.16Å; I77-C81 PolarHBondContact O-N 2.95Å; I77-C81 PolarHBondContact O-SG 3.41Å; Q78-C81 PolarHBondContact O-N 3.15Å; C81-L83 VanDerWaalsContact C-N 3.33Å; C81-L83 PolarHBondContact O-N 3.18Å; C81-Y84 PolarHBondContact O-N 3.09Å; C81-E85 WeakPolarHBondContact O-CG 3.4Å; C81-E85 PolarHBondContact O-N 3.17Å
82L93.5Very high93Very high108 Ų10851 Ų5157%0.56524%0.24SC*.Hα-helixtrans-61.6-41179.9-70.6171.3000111.9Q78 I80 Y84 E85 E86Q78-L82 VanDerWaalsContact O-CG 3.31Å; Q78-L82 WeakPolarHBondContact O-CG 3.44Å; Q78-L82 PolarHBondContact O-N 3.44Å; I80-L82 PolarHBondContact O-N 2.96Å; L82-Y84 VanDerWaalsContact C-N 3.34Å; L82-Y84 PolarHBondContact O-N 2.98Å; L82-E85 PolarHBondContact O-N 3.1Å; L82-E86 WeakPolarHBondContact O-CB 3.46Å; L82-E86 PolarHBondContact O-N 3Å
83L95.7Very high93.4Very high28 Ų2851.9 Ų51.915%0.14725%0.247CC..Hα-helixtrans-61.3-42.4176.2173.161.4000111.8Q79 I80 C81 T87 K118 V122Q79-L83 WeakPolarHBondContact O-CB 3.34Å; Q79-L83 PolarHBondContact O-N 3.44Å; I80-L83 PolarHBondContact O-N 3.32Å; C81-L83 VanDerWaalsContact C-N 3.33Å; C81-L83 PolarHBondContact O-N 3.18Å; L83-T87 WeakPolarHBondContact O-CB 3.1Å; L83-T87 PolarHBondContact O-N 3.3Å; L83-T87 PolarHBondContact O-OG1 3.44Å; L83-K118 HydrophobicContact CD1-CB 3.79Å; L83-K118 HydrophobicContact CD1-CD 4.32Å; L83-V122 HydrophobicContact CD2-CG2 3.71Å
84Y95.6Very high93.8Very high3 Ų346.3 Ų46.31%0.01222%0.223CC..Hα-helixtrans-70.7-38.6178.9-83.8-118.4000111.6L57 I60 M61 I64 I80 C81 L82 T87 F88 H119 V122 F154L57-Y84 HydrophobicContact CD2-CD1 3.86Å; L57-Y84 HydrophobicContact CD2-CE1 4.25Å; I60-Y84 HydrophobicContact CG2-CD1 4.05Å; I60-Y84 HydrophobicContact CG2-CE1 3.84Å; M61-Y84 HydrophobicContact CG-CD1 4.35Å; I64-Y84 HydrophobicContact CD1-CD1 4.47Å; I80-Y84 HydrophobicContact CG2-CD2 3.86Å; I80-Y84 HydrophobicContact CG2-CE2 3.75Å; I80-Y84 WeakPolarHBondContact O-CD2 3.4Å; I80-Y84 PolarHBondContact O-N 3.15Å; C81-Y84 PolarHBondContact O-N 3.09Å; L82-Y84 VanDerWaalsContact C-N 3.34Å; L82-Y84 PolarHBondContact O-N 2.98Å; Y84-T87 PolarHBondContact O-N 2.87Å; Y84-F88 WeakPolarHBondContact O-CB 3.45Å; Y84-F88 PolarHBondContact O-N 2.93Å; Y84-H119 AromaticContact CD2-CE1 3.74Å; Y84-H119 AromaticContact CE2-CE1 3.59Å; Y84-H119 AromaticContact CE2-ND1 3.73Å; Y84-V122 HydrophobicContact CE2-CG1 4.4Å; Y84-V122 HydrophobicContact CE2-CG2 4.29Å; Y84-F154 HydrophobicContact CE1-CE2 4.06Å; Y84-F154 HydrophobicContact CE2-CE2 4.17Å; Y84-F154 HydrophobicContact CE2-CZ 4.06Å; Y84-F154 AromaticContact CZ-CE2 3.63Å; Y84-F154 AromaticContact CZ-CZ 3.72Å; Y84-F154 WeakPolarHBondContact OH-CE2 3.43Å; Y84-F154 WeakPolarHBondContact OH-CZ 3.31Å
85E94.7Very high93.9Very high61 Ų6146.4 Ų46.429%0.28523%0.226SC..Hα-helixtrans-60.5-46.5171.9-76.3179.2-173.900112.2L13 M61 C81 L82 T87 F88 N89L13-E85 HydrophobicContact CD2-CB 4.2Å; L13-E85 HydrophobicContact CD2-CG 4.46Å; M61-E85 HydrophobicContact CE-CB 4.14Å; M61-E85 HydrophobicContact CE-CG 3.35Å; C81-E85 WeakPolarHBondContact O-CG 3.4Å; C81-E85 PolarHBondContact O-N 3.17Å; L82-E85 PolarHBondContact O-N 3.1Å; E85-T87 VanDerWaalsContact C-N 3.3Å; E85-T87 PolarHBondContact O-N 3.29Å; E85-F88 PolarHBondContact O-N 3.25Å; E85-N89 WeakPolarHBondContact O-CB 3.19Å; E85-N89 PolarHBondContact O-N 2.89Å
86E95.3Very high93.7Very high91 Ų9147 Ų4743%0.42524%0.236SC..Hα-helixtrans-60.9-41.9176.6-173-171159.900111L82 N89 S90 K118L82-E86 WeakPolarHBondContact O-CB 3.46Å; L82-E86 PolarHBondContact O-N 3Å; E86-N89 PolarHBondContact O-N 3.38Å; E86-S90 VanDerWaalsContact O-CB 3.3Å; E86-S90 WeakPolarHBondContact O-CB 3.36Å; E86-S90 PolarHBondContact O-N 3.23Å; E86-S90 PolarHBondContact O-OG 3Å; E86-K118 IonicContact OE1-NZ 2.78Å; E86-K118 PolarHBondContact OE1-NZ 3.48Å
87T96.9Very high93.7Very high7 Ų748.5 Ų48.54%0.04325%0.247CC..Hα-helixtrans-65.9-47.2178.5-57.10000111.1L57 L83 Y84 E85 N89 S90 I91 I115 H119L57-T87 HydrophobicContact CD1-CG2 3.91Å; L57-T87 HydrophobicContact CD2-CG2 4.32Å; L83-T87 WeakPolarHBondContact O-CB 3.1Å; L83-T87 PolarHBondContact O-N 3.3Å; L83-T87 PolarHBondContact O-OG1 3.44Å; Y84-T87 PolarHBondContact O-N 2.87Å; E85-T87 VanDerWaalsContact C-N 3.3Å; E85-T87 PolarHBondContact O-N 3.29Å; T87-N89 VanDerWaalsContact C-N 3.33Å; T87-N89 PolarHBondContact O-N 3.21Å; T87-S90 WeakPolarHBondContact O-CB 3.39Å; T87-S90 PolarHBondContact O-N 3.3Å; T87-S90 VanDerWaalsContact O-N 3.11Å; T87-I91 WeakPolarHBondContact O-CG1 3.49Å; T87-I91 PolarHBondContact O-N 2.81Å; T87-I115 HydrophobicContact CG2-CD1 4.03Å; T87-I115 HydrophobicContact CG2-CG1 4.12Å; T87-I115 HydrophobicContact CG2-CG2 3.77Å; T87-H119 PolarHBondContact OG1-NE2 3.33Å
88F96.8Very high93.6Very high0 Ų051.7 Ų51.70%027%0.269CS..Hα-helixtrans-57.1-47.6176.2-175.4-81.2000111.1L13 M16 I17 Y20 P54 L57 M61 Y84 E85 S90 I91 I92L13-F88 HydrophobicContact CD1-CD1 3.63Å; L13-F88 HydrophobicContact CD1-CE1 4.07Å; M16-F88 HydrophobicContact CB-CE1 3.86Å; M16-F88 HydrophobicContact CB-CZ 4.19Å; I17-F88 HydrophobicContact CB-CZ 4.42Å; I17-F88 HydrophobicContact CG1-CD1 3.83Å; I17-F88 HydrophobicContact CG1-CD2 4.09Å; I17-F88 HydrophobicContact CG1-CE1 3.76Å; I17-F88 HydrophobicContact CG1-CE2 4.03Å; I17-F88 HydrophobicContact CG1-CG 4Å; I17-F88 HydrophobicContact CG1-CZ 3.87Å; Y20-F88 HydrophobicContact CD2-CE2 4.46Å; Y20-F88 AromaticContact CD2-CZ 3.8Å; Y20-F88 HydrophobicContact CD2-CZ 3.8Å; Y20-F88 HydrophobicContact CG-CE2 4.39Å; Y20-F88 HydrophobicContact CG-CZ 4.17Å; P54-F88 HydrophobicContact CB-CD2 4.49Å; P54-F88 HydrophobicContact CB-CE2 3.97Å; P54-F88 HydrophobicContact CB-CZ 4.39Å; P54-F88 WeakPolarHBondContact O-CE2 3.03Å; L57-F88 HydrophobicContact CB-CD2 3.9Å; L57-F88 HydrophobicContact CD1-CB 4.43Å; M61-F88 HydrophobicContact SD-CB 4.16Å; M61-F88 HydrophobicContact SD-CD2 4.36Å; M61-F88 HydrophobicContact SD-CG 4.49Å; Y84-F88 WeakPolarHBondContact O-CB 3.45Å; Y84-F88 PolarHBondContact O-N 2.93Å; E85-F88 PolarHBondContact O-N 3.25Å; F88-S90 VanDerWaalsContact C-N 3.3Å; F88-S90 PolarHBondContact O-N 3.17Å; F88-I91 PolarHBondContact O-N 3.38Å; F88-I92 HydrophobicContact CD1-CD1 4.39Å; F88-I92 HydrophobicContact CE1-CB 4.41Å; F88-I92 HydrophobicContact CE1-CD1 3.46Å; F88-I92 VanDerWaalsContact CE1-CD1 3.46Å; F88-I92 HydrophobicContact CZ-CD1 3.82Å; F88-I92 WeakPolarHBondContact O-CB 3.5Å; F88-I92 PolarHBondContact O-N 3.43Å
89N94.5Very high93.3Very high86 Ų8649.2 Ų49.246%0.4626%0.26SS..Hα-helixtrans-64.7-34.3177.4-172.761.7000112.5L13 E85 E86 T87 I91L13-N89 HydrophobicContact CD1-CB 4.16Å; E85-N89 WeakPolarHBondContact O-CB 3.19Å; E85-N89 PolarHBondContact O-N 2.89Å; E86-N89 PolarHBondContact O-N 3.38Å; T87-N89 VanDerWaalsContact C-N 3.33Å; T87-N89 PolarHBondContact O-N 3.21Å; N89-I91 VanDerWaalsContact C-N 3.35Å
90S94.4Very high93.1Very high27 Ų2753.7 Ų53.719%0.18928%0.278CS..Hα-helixtrans-69.3-31.3177-630000112.8E86 T87 F88 K93E86-S90 VanDerWaalsContact O-CB 3.3Å; E86-S90 WeakPolarHBondContact O-CB 3.36Å; E86-S90 PolarHBondContact O-N 3.23Å; E86-S90 PolarHBondContact O-OG 3Å; T87-S90 WeakPolarHBondContact O-CB 3.39Å; T87-S90 PolarHBondContact O-N 3.3Å; T87-S90 VanDerWaalsContact O-N 3.11Å; F88-S90 VanDerWaalsContact C-N 3.3Å; F88-S90 PolarHBondContact O-N 3.17Å; S90-K93 WeakPolarHBondContact O-CD 3.44Å; S90-K93 WeakPolarHBondContact O-CE 3.42Å; S90-K93 VanDerWaalsContact O-CG 3.25Å; S90-K93 WeakPolarHBondContact O-CG 3.25Å
91I96.4Very high93Very high2 Ų255 Ų551%0.0129%0.288CS..Hα-helixtrans-84.6-43177.7-60.9-63.8000111.7L53 P54 T87 F88 N89 K93 Y94 F108 I115L53-I91 HydrophobicContact CB-CG2 4.11Å; L53-I91 HydrophobicContact CD1-CD1 3.99Å; L53-I91 HydrophobicContact CD1-CG1 4.41Å; L53-I91 HydrophobicContact CD1-CG2 4.48Å; P54-I91 HydrophobicContact CG-CB 4.42Å; P54-I91 HydrophobicContact CG-CG2 3.69Å; T87-I91 WeakPolarHBondContact O-CG1 3.49Å; T87-I91 PolarHBondContact O-N 2.81Å; F88-I91 PolarHBondContact O-N 3.38Å; N89-I91 VanDerWaalsContact C-N 3.35Å; I91-K93 PolarHBondContact O-N 3.34Å; I91-K93 VanDerWaalsContact O-N 3.09Å; I91-Y94 WeakPolarHBondContact O-CB 3.32Å; I91-Y94 PolarHBondContact O-N 3.37Å; I91-F108 HydrophobicContact CD1-CE2 3.87Å; I91-I115 HydrophobicContact CD1-CD1 3.62Å; I91-I115 HydrophobicContact CG1-CD1 4.15Å
92I94.6Very high93Very high31 Ų3159 Ų5916%0.15931%0.313CS..Hα-helixtrans-63.5-23.6-173.1-156.6161.7000113.5M16 Y20 F88 Y94 G95M16-I92 HydrophobicContact CB-CD1 3.85Å; M16-I92 HydrophobicContact CE-CD1 3.62Å; M16-I92 HydrophobicContact CG-CD1 4.14Å; Y20-I92 HydrophobicContact CD2-CD1 4.01Å; Y20-I92 HydrophobicContact CE2-CD1 3.51Å; Y20-I92 HydrophobicContact CE2-CG1 4.22Å; F88-I92 HydrophobicContact CD1-CD1 4.39Å; F88-I92 HydrophobicContact CE1-CB 4.41Å; F88-I92 HydrophobicContact CE1-CD1 3.46Å; F88-I92 VanDerWaalsContact CE1-CD1 3.46Å; F88-I92 HydrophobicContact CZ-CD1 3.82Å; F88-I92 WeakPolarHBondContact O-CB 3.5Å; F88-I92 PolarHBondContact O-N 3.43Å; I92-Y94 PolarHBondContact O-N 2.76Å; I92-Y94 VanDerWaalsContact O-N 3.1Å; I92-G95 PolarHBondContact O-N 2.88Å
93K93.1Very high93.1Very high102 Ų10257.4 Ų57.444%0.44331%0.311SS..THydrogen-bonded Turntrans-57.7-22.4173.579.6-167.6-178.9-169.10112.9S90 I91 D111S90-K93 WeakPolarHBondContact O-CD 3.44Å; S90-K93 WeakPolarHBondContact O-CE 3.42Å; S90-K93 VanDerWaalsContact O-CG 3.25Å; S90-K93 WeakPolarHBondContact O-CG 3.25Å; I91-K93 PolarHBondContact O-N 3.34Å; I91-K93 VanDerWaalsContact O-N 3.09Å; K93-D111 VanDerWaalsContact CE-OD2 3.26Å; K93-D111 WeakPolarHBondContact CE-OD2 3.27Å; K93-D111 IonicContact NZ-OD1 3.41Å; K93-D111 IonicContact NZ-OD2 3.2Å; K93-D111 PolarHBondContact NZ-OD2 3.33Å
94Y95.7Very high93.1Very high4 Ų457 Ų572%0.01631%0.31CS..THydrogen-bonded Turntrans-86.7-10178.2-68.1-72.6000114.3F46 I91 I92 E96 C97 T104 R107 F108 D111F46-Y94 AromaticContact CE2-CD1 3.78Å; F46-Y94 HydrophobicContact CE2-CD1 3.78Å; F46-Y94 AromaticContact CE2-CG 3.88Å; F46-Y94 HydrophobicContact CE2-CG 3.88Å; F46-Y94 AromaticContact CZ-CD1 3.94Å; F46-Y94 HydrophobicContact CZ-CD1 3.94Å; F46-Y94 HydrophobicContact CZ-CG 4.27Å; I91-Y94 WeakPolarHBondContact O-CB 3.32Å; I91-Y94 PolarHBondContact O-N 3.37Å; I92-Y94 PolarHBondContact O-N 2.76Å; I92-Y94 VanDerWaalsContact O-N 3.1Å; Y94-E96 VanDerWaalsContact C-N 3.25Å; Y94-E96 PolarHBondContact O-N 3.38Å; Y94-C97 HydrophobicContact CD1-CB 4.41Å; Y94-C97 WeakPolarHBondContact O-CB 3.31Å; Y94-C97 PolarHBondContact O-N 2.99Å; Y94-T104 HydrophobicContact CD1-CG2 3.83Å; Y94-T104 HydrophobicContact CE1-CG2 3.97Å; Y94-R107 WeakPolarHBondContact OH-CG 3.3Å; Y94-R107 PolarHBondContact OH-O 3.44Å; Y94-F108 AromaticContact CD2-CD2 3.67Å; Y94-F108 HydrophobicContact CD2-CD2 3.67Å; Y94-F108 HydrophobicContact CD2-CE2 4.37Å; Y94-F108 HydrophobicContact CE1-CB 4.1Å; Y94-F108 HydrophobicContact CE2-CB 4.3Å; Y94-F108 AromaticContact CE2-CD2 3.76Å; Y94-F108 HydrophobicContact CE2-CD2 3.76Å; Y94-F108 HydrophobicContact CG-CD2 4.09Å; Y94-F108 PolarHBondContact OH-N 3.37Å; Y94-D111 WeakPolarHBondContact CE2-OD2 3.45Å; Y94-D111 PolarHBondContact OH-OD2 3.5Å
95G90.1Very high93.1Very high16 Ų1657.5 Ų57.517%0.16531%0.314CS..THydrogen-bonded Turntrans-56.4-37-174.200000113.8I92I92-G95 PolarHBondContact O-N 2.88Å
96E88.8Confident93.2Very high198 Ų19857.9 Ų57.993%0.92532%0.323SS*.THydrogen-bonded Turntrans-93.8-1.9178.6-64.117917900113.3Y94Y94-E96 VanDerWaalsContact C-N 3.25Å; Y94-E96 PolarHBondContact O-N 3.38Å
97C91.3Very high93.2Very high42 Ų4260.5 Ų60.528%0.28433%0.329SS..SBendtrans-78.7140.7-176.4-68.60000111.9F46 Y94 T104F46-C97 HydrophobicContact CZ-CB 4.35Å; Y94-C97 HydrophobicContact CD1-CB 4.41Å; Y94-C97 WeakPolarHBondContact O-CB 3.31Å; Y94-C97 PolarHBondContact O-N 2.99Å; C97-T104 HydrophobicContact CB-CG2 3.7Å
98S87.6Confident93.2Very high69 Ų6960.1 Ų60.148%0.48333%0.327SS..  trans-71.5130.6178.2-173.40000111.7K100 S101S98-K100 PolarHBondContact O-N 3.46Å; S98-K100 PolarHBondContact OG-N 3.17Å; S98-S101 PolarHBondContact O-N 2.96Å
99T86.5Confident93.2Very high40 Ų4060.5 Ų60.525%0.24533%0.329CS..THydrogen-bonded Turntrans-67.9-13.5173.9570000113.5S43 F46 D47 S101S43-T99 WeakPolarHBondContact CB-O 3.28Å; F46-T99 HydrophobicContact CD1-CG2 4Å; F46-T99 HydrophobicContact CE1-CG2 4.12Å; D47-T99 HydrophobicContact CB-CG2 3.58Å; D47-T99 WeakPolarHBondContact OD1-CG2 3.39Å; T99-S101 VanDerWaalsContact C-N 3.32Å
100K88Confident93.2Very high184 Ų18460.6 Ų60.680%0.833%0.329SS*.THydrogen-bonded Turntrans-83.5-6.5179.3-61.3-176.3-179.2-178.80113.2S98 P102S98-K100 PolarHBondContact O-N 3.46Å; S98-K100 PolarHBondContact OG-N 3.17Å; K100-P102 VanDerWaalsContact O-CD 3.29Å; K100-P102 WeakPolarHBondContact O-CD 3.19Å
101S91.8Very high93.3Very high33 Ų3360.8 Ų60.823%0.23133%0.328CS..  trans-91.3108.1-179172.30000110.8S98 T99 S103 T104 V105S98-S101 PolarHBondContact O-N 2.96Å; T99-S101 VanDerWaalsContact C-N 3.32Å; S101-S103 VanDerWaalsContact C-N 3.28Å; S101-S103 PolarHBondContact O-N 3.43Å; S101-S103 PolarHBondContact OG-OG 2.9Å; S101-S103 VanDerWaalsContact OG-OG 3.05Å; S101-T104 VanDerWaalsContact CB-OG1 3.31Å; S101-T104 WeakPolarHBondContact CB-OG1 3.49Å; S101-T104 WeakPolarHBondContact O-CB 3.4Å; S101-T104 PolarHBondContact O-N 3.43Å; S101-T104 VanDerWaalsContact O-N 3.1Å; S101-T104 PolarHBondContact OG-N 3.21Å; S101-T104 PolarHBondContact OG-OG1 3.21Å; S101-V105 PolarHBondContact O-N 3Å
102P92.4Very high93.2Very high107 Ų10760.7 Ų60.770%0.69533%0.328SS*.Hα-helixtrans-62.4-36-179.2-2335.5000112.7K100 T104 V105 S106K100-P102 VanDerWaalsContact O-CD 3.29Å; K100-P102 WeakPolarHBondContact O-CD 3.19Å; P102-T104 VanDerWaalsContact C-N 3.27Å; P102-T104 PolarHBondContact O-N 3.21Å; P102-V105 PolarHBondContact O-N 2.94Å; P102-S106 WeakPolarHBondContact O-CB 3.32Å; P102-S106 PolarHBondContact O-N 3.46Å
103S95.3Very high93.2Very high75 Ų7561.6 Ų61.652%0.52433%0.333SS..Hα-helixtrans-64.1-31.5176.6580000113S101 R107S101-S103 VanDerWaalsContact C-N 3.28Å; S101-S103 PolarHBondContact O-N 3.43Å; S101-S103 PolarHBondContact OG-OG 2.9Å; S101-S103 VanDerWaalsContact OG-OG 3.05Å; S103-R107 WeakPolarHBondContact O-CB 3.4Å; S103-R107 PolarHBondContact O-N 3.41Å
104T96.3Very high93.2Very high20 Ų2060.3 Ų60.312%0.12333%0.331CS..Hα-helixtrans-72.3-46.2175.7-59.10000110.3F46 Y94 C97 S101 P102 R107 F108F46-T104 HydrophobicContact CE1-CG2 4.24Å; F46-T104 HydrophobicContact CZ-CG2 3.82Å; Y94-T104 HydrophobicContact CD1-CG2 3.83Å; Y94-T104 HydrophobicContact CE1-CG2 3.97Å; C97-T104 HydrophobicContact CB-CG2 3.7Å; S101-T104 VanDerWaalsContact CB-OG1 3.31Å; S101-T104 WeakPolarHBondContact CB-OG1 3.49Å; S101-T104 WeakPolarHBondContact O-CB 3.4Å; S101-T104 PolarHBondContact O-N 3.43Å; S101-T104 VanDerWaalsContact O-N 3.1Å; S101-T104 PolarHBondContact OG-N 3.21Å; S101-T104 PolarHBondContact OG-OG1 3.21Å; P102-T104 VanDerWaalsContact C-N 3.27Å; P102-T104 PolarHBondContact O-N 3.21Å; T104-R107 PolarHBondContact O-N 3.47Å; T104-F108 PolarHBondContact O-N 3.13Å
105V95.2Very high93.2Very high13 Ų1360.6 Ų60.68%0.07933%0.332CS..Hα-helixtrans-61.3-45.6178.4178.40000110.5A42 F46 S101 P102 R107 F108 T109A42-V105 HydrophobicContact CB-CG1 3.69Å; F46-V105 HydrophobicContact CB-CG1 4.35Å; F46-V105 HydrophobicContact CB-CG2 4.28Å; F46-V105 HydrophobicContact CD1-CG2 3.9Å; F46-V105 HydrophobicContact CG-CG2 4.17Å; S101-V105 PolarHBondContact O-N 3Å; P102-V105 PolarHBondContact O-N 2.94Å; V105-R107 PolarHBondContact O-N 3.03Å; V105-F108 WeakPolarHBondContact O-CB 3.45Å; V105-F108 PolarHBondContact O-N 3.44Å; V105-T109 PolarHBondContact O-N 2.87Å; V105-T109 PolarHBondContact O-OG1 2.96Å; V105-T109 VanDerWaalsContact O-OG1 3.09Å
106S95.3Very high93.3Very high69 Ų6960.5 Ų60.548%0.48333%0.328SS..Hα-helixtrans-58-47.2175.9-173.70000112.3P102 F108 T109 D110P102-S106 WeakPolarHBondContact O-CB 3.32Å; P102-S106 PolarHBondContact O-N 3.46Å; S106-F108 VanDerWaalsContact C-N 3.29Å; S106-F108 PolarHBondContact O-N 3Å; S106-T109 WeakPolarHBondContact O-CB 3.41Å; S106-T109 PolarHBondContact O-N 3.12Å; S106-T109 VanDerWaalsContact O-N 3.15Å; S106-D110 PolarHBondContact O-N 3.11Å
107R96.2Very high93.4Very high145 Ų14556.2 Ų56.255%0.54731%0.308SS..Hα-helixtrans-63.5-36.3178-169.3-170.7-60.3166.61.5112.3Y94 S103 T104 V105 D110 D111Y94-R107 WeakPolarHBondContact OH-CG 3.3Å; Y94-R107 PolarHBondContact OH-O 3.44Å; S103-R107 WeakPolarHBondContact O-CB 3.4Å; S103-R107 PolarHBondContact O-N 3.41Å; T104-R107 PolarHBondContact O-N 3.47Å; V105-R107 PolarHBondContact O-N 3.03Å; R107-D110 PolarHBondContact O-N 3.48Å; R107-D111 PolarHBondContact O-N 3.26Å
108F97.4Very high93.4Very high0 Ų058 Ų580%031%0.311CS..Hα-helixtrans-62.8-44.2173.8176.3-92.7000110.9F46 L49 L53 I91 Y94 T104 V105 S106 D110 D111 V112 H168F46-F108 HydrophobicContact CD2-CB 3.72Å; F46-F108 AromaticContact CD2-CD1 3.68Å; F46-F108 HydrophobicContact CD2-CD1 3.68Å; F46-F108 AromaticContact CD2-CD2 3.67Å; F46-F108 HydrophobicContact CD2-CD2 3.67Å; F46-F108 HydrophobicContact CD2-CE1 4.18Å; F46-F108 HydrophobicContact CD2-CE2 4.17Å; F46-F108 AromaticContact CD2-CG 3.39Å; F46-F108 HydrophobicContact CD2-CG 3.39Å; F46-F108 HydrophobicContact CD2-CZ 4.42Å; F46-F108 HydrophobicContact CE2-CB 3.83Å; F46-F108 HydrophobicContact CE2-CD1 4.46Å; F46-F108 AromaticContact CE2-CD2 3.69Å; F46-F108 HydrophobicContact CE2-CD2 3.69Å; F46-F108 HydrophobicContact CE2-CE2 4.36Å; F46-F108 AromaticContact CE2-CG 3.74Å; F46-F108 HydrophobicContact CE2-CG 3.74Å; L49-F108 HydrophobicContact CB-CE1 4.2Å; L49-F108 HydrophobicContact CB-CZ 3.7Å; L49-F108 HydrophobicContact CD1-CE1 4.01Å; L49-F108 HydrophobicContact CD1-CZ 4.19Å; L53-F108 HydrophobicContact CD1-CZ 4.14Å; I91-F108 HydrophobicContact CD1-CE2 3.87Å; Y94-F108 AromaticContact CD2-CD2 3.67Å; Y94-F108 HydrophobicContact CD2-CD2 3.67Å; Y94-F108 HydrophobicContact CD2-CE2 4.37Å; Y94-F108 HydrophobicContact CE1-CB 4.1Å; Y94-F108 HydrophobicContact CE2-CB 4.3Å; Y94-F108 AromaticContact CE2-CD2 3.76Å; Y94-F108 HydrophobicContact CE2-CD2 3.76Å; Y94-F108 HydrophobicContact CG-CD2 4.09Å; Y94-F108 PolarHBondContact OH-N 3.37Å; T104-F108 PolarHBondContact O-N 3.13Å; V105-F108 WeakPolarHBondContact O-CB 3.45Å; V105-F108 PolarHBondContact O-N 3.44Å; S106-F108 VanDerWaalsContact C-N 3.29Å; S106-F108 PolarHBondContact O-N 3Å; F108-D110 VanDerWaalsContact C-N 3.33Å; F108-D110 PolarHBondContact O-N 2.98Å; F108-D111 PolarHBondContact O-N 2.66Å; F108-V112 HydrophobicContact CD1-CG2 3.94Å; F108-V112 HydrophobicContact CE1-CG2 3.51Å; F108-V112 HydrophobicContact CE2-CG2 4.41Å; F108-V112 HydrophobicContact CZ-CG2 3.78Å; F108-V112 WeakPolarHBondContact O-CG2 3.31Å; F108-V112 PolarHBondContact O-N 3.17Å; F108-H168 AromaticContact CD1-CE1 3.77Å; F108-H168 AromaticContact CD1-NE2 3.53Å; F108-H168 AromaticContact CE1-CE1 3.79Å; F108-H168 AromaticContact CE1-NE2 3.76Å
109T95.5Very high93.7Very high7 Ų755.3 Ų55.34%0.04329%0.291CS..Hα-helixtrans-60.3-40.9176.1-53.10000112.1V105 S106 V112 D113 H168 F169V105-T109 PolarHBondContact O-N 2.87Å; V105-T109 PolarHBondContact O-OG1 2.96Å; V105-T109 VanDerWaalsContact O-OG1 3.09Å; S106-T109 WeakPolarHBondContact O-CB 3.41Å; S106-T109 PolarHBondContact O-N 3.12Å; S106-T109 VanDerWaalsContact O-N 3.15Å; T109-V112 WeakPolarHBondContact O-CB 3.36Å; T109-V112 PolarHBondContact O-N 3.46Å; T109-D113 PolarHBondContact O-N 3.17Å; T109-H168 PolarHBondContact OG1-NE2 3.32Å; T109-F169 HydrophobicContact CG2-CD2 4.2Å
110D95.1Very high93.7Very high89 Ų8956.5 Ų56.548%0.47630%0.301SS..Hα-helixtrans-64.2-42.7174.4-60-29000112S106 R107 F108 V112 D113 L114S106-D110 PolarHBondContact O-N 3.11Å; R107-D110 PolarHBondContact O-N 3.48Å; F108-D110 VanDerWaalsContact C-N 3.33Å; F108-D110 PolarHBondContact O-N 2.98Å; D110-V112 VanDerWaalsContact C-N 3.3Å; D110-V112 PolarHBondContact O-N 3.01Å; D110-D113 PolarHBondContact O-N 3.37Å; D110-L114 PolarHBondContact O-N 3.15Å; D110-L114 VanDerWaalsContact O-N 3.15Å
111D96.9Very high93.8Very high30 Ų3054.6 Ų54.616%0.1629%0.288CS..Hα-helixtrans-64-35.6175.7-78.1-26.3000111.5K93 Y94 R107 F108 L114 I115K93-D111 VanDerWaalsContact CE-OD2 3.26Å; K93-D111 WeakPolarHBondContact CE-OD2 3.27Å; K93-D111 IonicContact NZ-OD1 3.41Å; K93-D111 IonicContact NZ-OD2 3.2Å; K93-D111 PolarHBondContact NZ-OD2 3.33Å; Y94-D111 WeakPolarHBondContact CE2-OD2 3.45Å; Y94-D111 PolarHBondContact OH-OD2 3.5Å; R107-D111 PolarHBondContact O-N 3.26Å; F108-D111 PolarHBondContact O-N 2.66Å; D111-L114 PolarHBondContact O-N 2.66Å; D111-I115 WeakPolarHBondContact O-CB 3.42Å; D111-I115 WeakPolarHBondContact O-CD1 3.46Å; D111-I115 WeakPolarHBondContact O-CG1 3.44Å; D111-I115 PolarHBondContact O-N 3.44Å
112V95.3Very high93.8Very high0 Ų053.1 Ų53.10%028%0.278CS..Hα-helixtrans-61.2-46.51761640000111.1F108 T109 D110 I115 L116 L165 F169F108-V112 HydrophobicContact CD1-CG2 3.94Å; F108-V112 HydrophobicContact CE1-CG2 3.51Å; F108-V112 HydrophobicContact CE2-CG2 4.41Å; F108-V112 HydrophobicContact CZ-CG2 3.78Å; F108-V112 WeakPolarHBondContact O-CG2 3.31Å; F108-V112 PolarHBondContact O-N 3.17Å; T109-V112 WeakPolarHBondContact O-CB 3.36Å; T109-V112 PolarHBondContact O-N 3.46Å; D110-V112 VanDerWaalsContact C-N 3.3Å; D110-V112 PolarHBondContact O-N 3.01Å; V112-I115 PolarHBondContact O-N 2.92Å; V112-L116 HydrophobicContact CG1-CD1 4.08Å; V112-L116 WeakPolarHBondContact O-CG 3.48Å; V112-L116 PolarHBondContact O-N 2.94Å; V112-L165 HydrophobicContact CB-CD2 4.32Å; V112-L165 HydrophobicContact CG1-CB 4.03Å; V112-L165 HydrophobicContact CG1-CD2 3.87Å; V112-L165 WeakPolarHBondContact CG1-O 3.3Å; V112-L165 HydrophobicContact CG2-CD2 3.8Å; V112-F169 HydrophobicContact CG1-CB 3.99Å
113D93Very high93.7Very high51 Ų5148.6 Ų48.627%0.27325%0.248SC..Hα-helixtrans-58.4-49175.4-177.632.1000111.2T109 D110 I115 L116 Q117 F169T109-D113 PolarHBondContact O-N 3.17Å; D110-D113 PolarHBondContact O-N 3.37Å; D113-I115 VanDerWaalsContact C-N 3.28Å; D113-I115 PolarHBondContact O-N 2.75Å; D113-L116 WeakPolarHBondContact O-CB 3.37Å; D113-L116 PolarHBondContact O-N 2.69Å; D113-L116 VanDerWaalsContact O-N 3.14Å; D113-Q117 WeakPolarHBondContact O-CG 3.34Å; D113-Q117 PolarHBondContact O-N 2.71Å; D113-Q117 PolarHBondContact OD1-NE2 3.07Å; D113-Q117 PolarHBondContact OD2-NE2 3.42Å; D113-F169 HydrophobicContact CB-CD2 3.85Å; D113-F169 HydrophobicContact CB-CE2 3.48Å; D113-F169 VanDerWaalsContact CB-CE2 3.48Å; D113-F169 HydrophobicContact CB-CZ 3.94Å
114L94.3Very high93.3Very high75 Ų7546.6 Ų46.639%0.39323%0.231SC..Hα-helixtrans-59.2-39.6178-177.961.3000112.1D110 D111 K118D110-L114 PolarHBondContact O-N 3.15Å; D110-L114 VanDerWaalsContact O-N 3.15Å; D111-L114 PolarHBondContact O-N 2.66Å; L114-K118 HydrophobicContact CD1-CG 4.47Å; L114-K118 HydrophobicContact CG-CD 4.3Å; L114-K118 WeakPolarHBondContact O-CB 3.31Å; L114-K118 VanDerWaalsContact O-CG 3.31Å; L114-K118 WeakPolarHBondContact O-CG 3.3Å; L114-K118 PolarHBondContact O-N 2.9Å
115I95.9Very high93Very high9 Ų947 Ų475%0.04623%0.233CC..Hα-helixtrans-64.5-48.6175.7-71.2163.4000110.3T87 I91 D111 V112 D113 Q117 K118 H119 L165T87-I115 HydrophobicContact CG2-CD1 4.03Å; T87-I115 HydrophobicContact CG2-CG1 4.12Å; T87-I115 HydrophobicContact CG2-CG2 3.77Å; I91-I115 HydrophobicContact CD1-CD1 3.62Å; I91-I115 HydrophobicContact CG1-CD1 4.15Å; D111-I115 WeakPolarHBondContact O-CB 3.42Å; D111-I115 WeakPolarHBondContact O-CD1 3.46Å; D111-I115 WeakPolarHBondContact O-CG1 3.44Å; D111-I115 PolarHBondContact O-N 3.44Å; V112-I115 PolarHBondContact O-N 2.92Å; D113-I115 VanDerWaalsContact C-N 3.28Å; D113-I115 PolarHBondContact O-N 2.75Å; I115-Q117 VanDerWaalsContact C-N 3.27Å; I115-Q117 PolarHBondContact O-N 3.3Å; I115-K118 PolarHBondContact O-N 2.94Å; I115-H119 WeakPolarHBondContact O-CB 3.43Å; I115-H119 PolarHBondContact O-CD2 3.32Å; I115-H119 PolarHBondContact O-N 2.81Å; I115-L165 HydrophobicContact CG2-CD1 3.78Å
116L91.8Very high92.9Very high15 Ų1546.5 Ų46.58%0.07923%0.23CC..Hα-helixtrans-55.8-42.6178.2-75.8168.9000112V112 D113 S120 R162 L165 N166 F169V112-L116 HydrophobicContact CG1-CD1 4.08Å; V112-L116 WeakPolarHBondContact O-CG 3.48Å; V112-L116 PolarHBondContact O-N 2.94Å; D113-L116 WeakPolarHBondContact O-CB 3.37Å; D113-L116 PolarHBondContact O-N 2.69Å; D113-L116 VanDerWaalsContact O-N 3.14Å; L116-S120 PolarHBondContact O-N 3.21Å; L116-R162 HydrophobicContact CD2-CG 4.5Å; L116-L165 HydrophobicContact CD1-CB 4.23Å; L116-L165 HydrophobicContact CD2-CB 3.65Å; L116-L165 HydrophobicContact CD2-CD1 4.16Å; L116-L165 HydrophobicContact CG-CB 3.95Å; L116-L165 HydrophobicContact CG-CD1 4.48Å; L116-N166 VanDerWaalsContact CD1-OD1 3.23Å; L116-N166 WeakPolarHBondContact CD1-OD1 3.08Å; L116-N166 WeakPolarHBondContact CD2-OD1 3.46Å; L116-F169 HydrophobicContact CD1-CB 4.11Å; L116-F169 HydrophobicContact CD1-CG 4.44Å
117Q90.1Very high92.5Very high107 Ų10743.3 Ų43.350%0.521%0.208SC..Hα-helixtrans-65.1-49.3176.9-68175.328.200112D113 I115 H119 S120D113-Q117 WeakPolarHBondContact O-CG 3.34Å; D113-Q117 PolarHBondContact O-N 2.71Å; D113-Q117 PolarHBondContact OD1-NE2 3.07Å; D113-Q117 PolarHBondContact OD2-NE2 3.42Å; I115-Q117 VanDerWaalsContact C-N 3.27Å; I115-Q117 PolarHBondContact O-N 3.3Å; Q117-H119 VanDerWaalsContact C-N 3.27Å; Q117-H119 PolarHBondContact O-N 3.44Å; Q117-S120 VanDerWaalsContact O-CB 3.31Å; Q117-S120 WeakPolarHBondContact O-CB 3.47Å; Q117-S120 PolarHBondContact O-N 3.08Å; Q117-S120 PolarHBondContact O-OG 3.47Å
118K92.5Very high92Very high81 Ų8138.2 Ų38.235%0.35219%0.194SC..Hα-helixtrans-60.9-35.9178.4-73.8177177.9177.90112.5L83 E86 L114 I115L83-K118 HydrophobicContact CD1-CB 3.79Å; L83-K118 HydrophobicContact CD1-CD 4.32Å; E86-K118 IonicContact OE1-NZ 2.78Å; E86-K118 PolarHBondContact OE1-NZ 3.48Å; L114-K118 HydrophobicContact CD1-CG 4.47Å; L114-K118 HydrophobicContact CG-CD 4.3Å; L114-K118 WeakPolarHBondContact O-CB 3.31Å; L114-K118 VanDerWaalsContact O-CG 3.31Å; L114-K118 WeakPolarHBondContact O-CG 3.3Å; L114-K118 PolarHBondContact O-N 2.9Å; I115-K118 PolarHBondContact O-N 2.94Å
119H93.1Very high91.5Very high12 Ų1238.2 Ų38.26%0.05619%0.194CC..G310 helixtrans-84.1-5-178.5-78.9-103.5000114.6Y84 T87 I115 Q117 R121 V122 R158Y84-H119 AromaticContact CD2-CE1 3.74Å; Y84-H119 AromaticContact CE2-CE1 3.59Å; Y84-H119 AromaticContact CE2-ND1 3.73Å; T87-H119 PolarHBondContact OG1-NE2 3.33Å; I115-H119 WeakPolarHBondContact O-CB 3.43Å; I115-H119 PolarHBondContact O-CD2 3.32Å; I115-H119 PolarHBondContact O-N 2.81Å; Q117-H119 VanDerWaalsContact C-N 3.27Å; Q117-H119 PolarHBondContact O-N 3.44Å; H119-R121 VanDerWaalsContact C-N 3.27Å; H119-R121 PolarHBondContact O-N 3.44Å; H119-V122 HydrophobicContact CB-CG2 4.26Å; H119-V122 WeakPolarHBondContact O-CG2 2.92Å; H119-V122 PolarHBondContact O-N 3.46Å; H119-R158 PolarHBondContact O-NH2 3.16Å
120S87.7Confident91.1Very high65 Ų6538 Ų3846%0.45519%0.193SC..G310 helixtrans-58.1-36.1-178.161.90000113.3L116 Q117L116-S120 PolarHBondContact O-N 3.21Å; Q117-S120 VanDerWaalsContact O-CB 3.31Å; Q117-S120 WeakPolarHBondContact O-CB 3.47Å; Q117-S120 PolarHBondContact O-N 3.08Å; Q117-S120 PolarHBondContact O-OG 3.47Å
121R88.4Confident90.6Very high143 Ų14340 Ų4054%0.5420%0.197SC..G310 helixtrans-94.14.8-175.9-61.3-174.967.9-161.8-0.4115H119 V123 E124 V125H119-R121 VanDerWaalsContact C-N 3.27Å; H119-R121 PolarHBondContact O-N 3.44Å; R121-V123 VanDerWaalsContact C-N 3.34Å; R121-V123 PolarHBondContact O-N 3.4Å; R121-E124 IonicContact CZ-OE1 2.65Å; R121-E124 IonicContact CZ-OE2 2.64Å; R121-E124 IonicContact NE-OE1 2.81Å; R121-E124 IonicContact NE-OE2 3.61Å; R121-E124 PolarHBondContact NE-OE2 3.46Å; R121-E124 IonicContact NH2-OE1 2.69Å; R121-E124 PolarHBondContact NH2-OE1 2.73Å; R121-E124 IonicContact NH2-OE2 3.76Å; R121-E124 PolarHBondContact NH2-OE2 3.27Å; R121-E124 WeakPolarHBondContact O-CB 3.35Å; R121-E124 PolarHBondContact O-N 3.45Å; R121-E124 VanDerWaalsContact O-N 3.14Å; R121-V125 HydrophobicContact CB-CG2 4.4Å; R121-V125 WeakPolarHBondContact O-CG2 3.44Å; R121-V125 PolarHBondContact O-N 2.95Å
122V91.9Very high89.9Confident3 Ų343.9 Ų43.92%0.01821%0.214CC..Hα-helixtrans-57.4-44-174.7165.10000112.6I80 L83 Y84 H119 V125 M126 F154I80-V122 HydrophobicContact CD1-CG1 4.4Å; L83-V122 HydrophobicContact CD2-CG2 3.71Å; Y84-V122 HydrophobicContact CE2-CG1 4.4Å; Y84-V122 HydrophobicContact CE2-CG2 4.29Å; H119-V122 HydrophobicContact CB-CG2 4.26Å; H119-V122 WeakPolarHBondContact O-CG2 2.92Å; H119-V122 PolarHBondContact O-N 3.46Å; V122-V125 PolarHBondContact O-N 3.19Å; V122-M126 VanDerWaalsContact O-CB 3.28Å; V122-M126 WeakPolarHBondContact O-CB 3.35Å; V122-M126 PolarHBondContact O-N 3.23Å; V122-F154 HydrophobicContact CG1-CE1 3.61Å; V122-F154 HydrophobicContact CG1-CZ 3.51Å
123V91.4Very high89.2Confident11 Ų1144.8 Ų44.87%0.06722%0.219CC..Hα-helixtrans-64.6-42.5178.9-173.10000110.9R121 M126 A127 Y155 I391 H396 L400R121-V123 VanDerWaalsContact C-N 3.34Å; R121-V123 PolarHBondContact O-N 3.4Å; V123-M126 PolarHBondContact O-N 3.26Å; V123-A127 VanDerWaalsContact O-CB 3.25Å; V123-A127 WeakPolarHBondContact O-CB 3.45Å; V123-A127 PolarHBondContact O-N 3.29Å; V123-Y155 HydrophobicContact CB-CE1 4.19Å; V123-Y155 HydrophobicContact CG1-CE1 4.01Å; V123-Y155 HydrophobicContact CG2-CD1 4.19Å; V123-Y155 HydrophobicContact CG2-CE1 3.81Å; V123-I391 HydrophobicContact CB-CG2 4.22Å; V123-I391 HydrophobicContact CG1-CD1 4.18Å; V123-I391 HydrophobicContact CG1-CG2 3.78Å; V123-H396 HydrophobicContact CG1-CB 4.42Å; V123-L400 HydrophobicContact CG1-CD1 3.66Å
124E87.1Confident88.6Confident34 Ų3445 Ų4516%0.15922%0.219CC..Hα-helixtrans-59.7-51.3176.9-174.5-162.7153.600111R121 M126 A127 S128 S390 R394R121-E124 IonicContact CZ-OE1 2.65Å; R121-E124 IonicContact CZ-OE2 2.64Å; R121-E124 IonicContact NE-OE1 2.81Å; R121-E124 IonicContact NE-OE2 3.61Å; R121-E124 PolarHBondContact NE-OE2 3.46Å; R121-E124 IonicContact NH2-OE1 2.69Å; R121-E124 PolarHBondContact NH2-OE1 2.73Å; R121-E124 IonicContact NH2-OE2 3.76Å; R121-E124 PolarHBondContact NH2-OE2 3.27Å; R121-E124 WeakPolarHBondContact O-CB 3.35Å; R121-E124 PolarHBondContact O-N 3.45Å; R121-E124 VanDerWaalsContact O-N 3.14Å; E124-M126 VanDerWaalsContact C-N 3.35Å; E124-M126 PolarHBondContact O-N 3.19Å; E124-A127 PolarHBondContact O-N 2.76Å; E124-S128 PolarHBondContact O-N 3.2Å; E124-S128 PolarHBondContact O-OG 3.16Å; E124-S390 VanDerWaalsContact CG-OG 3.29Å; E124-S390 WeakPolarHBondContact CG-OG 3.46Å; E124-S390 PolarHBondContact OE2-OG 2.87Å; E124-R394 PolarHBondContact O-NH1 2.85Å; E124-R394 IonicContact OE1-NH2 3.44Å
125V90.1Very high87.6Confident28 Ų2846.3 Ų46.317%0.1723%0.234CC..Hα-helixtrans-62.7-42.2180175.90000110.9S76 I80 R121 V122 S128 G129S76-V125 WeakPolarHBondContact CB-O 3.43Å; S76-V125 WeakPolarHBondContact O-CG1 3.38Å; I80-V125 HydrophobicContact CD1-CB 4.23Å; I80-V125 HydrophobicContact CD1-CG1 3.98Å; I80-V125 HydrophobicContact CG1-CB 4.42Å; I80-V125 HydrophobicContact CG1-CG1 3.94Å; R121-V125 HydrophobicContact CB-CG2 4.4Å; R121-V125 WeakPolarHBondContact O-CG2 3.44Å; R121-V125 PolarHBondContact O-N 2.95Å; V122-V125 PolarHBondContact O-N 3.19Å; V125-S128 PolarHBondContact O-N 3.05Å; V125-G129 PolarHBondContact O-N 2.89Å
126M91.3Very high86.5Confident2 Ų251.7 Ų51.71%0.0126%0.263CS..Hα-helixtrans-64.2-46.9178-174155.4-75.800111.5I77 I80 V122 V123 E124 S128 G129 I130 F150 L151 F154 Y155I77-M126 HydrophobicContact CD1-CE 3.83Å; I77-M126 HydrophobicContact CD1-CG 4.19Å; I80-M126 HydrophobicContact CD1-CB 3.7Å; I80-M126 HydrophobicContact CD1-CE 3.65Å; I80-M126 HydrophobicContact CD1-CG 4.45Å; I80-M126 HydrophobicContact CG2-CE 4.29Å; V122-M126 VanDerWaalsContact O-CB 3.28Å; V122-M126 WeakPolarHBondContact O-CB 3.35Å; V122-M126 PolarHBondContact O-N 3.23Å; V123-M126 PolarHBondContact O-N 3.26Å; E124-M126 VanDerWaalsContact C-N 3.35Å; E124-M126 PolarHBondContact O-N 3.19Å; M126-S128 VanDerWaalsContact C-N 3.34Å; M126-S128 PolarHBondContact O-N 3.05Å; M126-G129 PolarHBondContact O-N 2.88Å; M126-I130 HydrophobicContact CG-CD1 3.81Å; M126-I130 WeakPolarHBondContact O-CD1 3.36Å; M126-I130 VanDerWaalsContact O-CG1 3.31Å; M126-I130 WeakPolarHBondContact O-CG1 3.12Å; M126-I130 PolarHBondContact O-N 2.93Å; M126-F150 HydrophobicContact CE-CE1 3.93Å; M126-F150 HydrophobicContact CE-CZ 4.24Å; M126-F150 HydrophobicContact SD-CE1 4.07Å; M126-L151 HydrophobicContact CG-CD2 3.86Å; M126-L151 HydrophobicContact SD-CD2 3.27Å; M126-L151 WeakPolarHBondContact SD-CD2 3.4Å; M126-F154 HydrophobicContact CE-CD1 3.8Å; M126-F154 HydrophobicContact CE-CD2 4.3Å; M126-F154 HydrophobicContact CE-CE1 3.44Å; M126-F154 VanDerWaalsContact CE-CE1 3.44Å; M126-F154 HydrophobicContact CE-CE2 3.99Å; M126-F154 HydrophobicContact CE-CG 4.21Å; M126-F154 HydrophobicContact CE-CZ 3.55Å; M126-F154 HydrophobicContact SD-CD1 3.46Å; M126-F154 WeakPolarHBondContact SD-CD1 3.41Å; M126-F154 HydrophobicContact SD-CE1 3.47Å; M126-F154 WeakPolarHBondContact SD-CE1 3.26Å; M126-F154 HydrophobicContact SD-CG 4.21Å; M126-F154 HydrophobicContact SD-CZ 4.22Å; M126-Y155 WeakPolarHBondContact CG-OH 3.49Å; M126-Y155 HydrophobicContact SD-CE1 4.17Å
127A88.4Confident85.3Confident2 Ų254.2 Ų54.22%0.01729%0.292CS..Hα-helixtrans-59-43.5176.700000112.4V123 E124 K131 R394 H396V123-A127 VanDerWaalsContact O-CB 3.25Å; V123-A127 WeakPolarHBondContact O-CB 3.45Å; V123-A127 PolarHBondContact O-N 3.29Å; E124-A127 PolarHBondContact O-N 2.76Å; A127-K131 WeakPolarHBondContact O-CB 3.25Å; A127-K131 PolarHBondContact O-N 2.98Å; A127-K131 VanDerWaalsContact O-N 3.13Å; A127-R394 HydrophobicContact CB-CB 4.07Å; A127-H396 WeakPolarHBondContact CA-NE2 3.2Å; A127-H396 WeakPolarHBondContact CB-CD2 3.45Å; A127-H396 VanDerWaalsContact CB-NE2 3.25Å; A127-H396 WeakPolarHBondContact CB-NE2 3.36Å
128S85Confident84.4Confident39 Ų3953 Ų5327%0.27330%0.296SS..Hα-helixtrans-60.5-48.7174.1-77.30000111.7E124 V125 M126 I130 K131 E132 R394E124-S128 PolarHBondContact O-N 3.2Å; E124-S128 PolarHBondContact O-OG 3.16Å; V125-S128 PolarHBondContact O-N 3.05Å; M126-S128 VanDerWaalsContact C-N 3.34Å; M126-S128 PolarHBondContact O-N 3.05Å; S128-I130 PolarHBondContact O-N 2.9Å; S128-K131 PolarHBondContact O-N 3.14Å; S128-E132 WeakPolarHBondContact O-CG 3.47Å; S128-E132 PolarHBondContact O-N 2.88Å; S128-R394 PolarHBondContact OG-NH1 2.88Å
129G86.9Confident83.5Confident0 Ų051.6 Ų51.60%029%0.288CS..Hα-helixtrans-59.8-44.2-179.200000113.6S76 V125 M126 I133S76-G129 VanDerWaalsContact CB-CA 3.45Å; V125-G129 PolarHBondContact O-N 2.89Å; M126-G129 PolarHBondContact O-N 2.88Å; G129-I133 WeakPolarHBondContact O-CD1 3.31Å; G129-I133 VanDerWaalsContact O-CG1 3.3Å; G129-I133 WeakPolarHBondContact O-CG1 3.4Å; G129-I133 PolarHBondContact O-N 2.91Å
130I87.7Confident83Confident1 Ų153.5 Ų53.51%0.00530%0.303CS..Hα-helixtrans-66-42.7178.4-61.3157.4000110.5L71 M126 S128 E132 I133 Q134 L147 L151 N341L71-I130 HydrophobicContact CD2-CG1 4.23Å; M126-I130 HydrophobicContact CG-CD1 3.81Å; M126-I130 WeakPolarHBondContact O-CD1 3.36Å; M126-I130 VanDerWaalsContact O-CG1 3.31Å; M126-I130 WeakPolarHBondContact O-CG1 3.12Å; M126-I130 PolarHBondContact O-N 2.93Å; S128-I130 PolarHBondContact O-N 2.9Å; I130-E132 VanDerWaalsContact C-N 3.34Å; I130-E132 PolarHBondContact O-N 3.24Å; I130-I133 PolarHBondContact O-N 3.39Å; I130-I133 VanDerWaalsContact O-N 3.17Å; I130-Q134 HydrophobicContact CG2-CG 4.17Å; I130-Q134 PolarHBondContact O-N 3.43Å; I130-L147 HydrophobicContact CD1-CD1 4.21Å; I130-L147 HydrophobicContact CG1-CD1 4.28Å; I130-L147 HydrophobicContact CG2-CD2 3.62Å; I130-L151 HydrophobicContact CD1-CD1 3.68Å; I130-L151 HydrophobicContact CD1-CD2 3.84Å; I130-L151 HydrophobicContact CD1-CG 4.36Å; I130-N341 WeakPolarHBondContact CG2-ND2 3.19Å
131K83.5Confident82.8Confident132 Ų13256.9 Ų56.957%0.57431%0.311SS*.Hα-helixtrans-62.9-40-178.9-172.1173-177.2174.50112.2A127 S128 I133 S135 N341A127-K131 WeakPolarHBondContact O-CB 3.25Å; A127-K131 PolarHBondContact O-N 2.98Å; A127-K131 VanDerWaalsContact O-N 3.13Å; S128-K131 PolarHBondContact O-N 3.14Å; K131-I133 VanDerWaalsContact C-N 3.31Å; K131-I133 PolarHBondContact O-N 2.92Å; K131-S135 PolarHBondContact O-N 2.86Å; K131-N341 PolarHBondContact N-ND2 3.2Å
132E81.8Confident82.5Confident111 Ų11151.8 Ų51.852%0.51930%0.298SS..Hα-helixtrans-58.9-43.2174.2-74.5169.3-165.500111.4S128 I130 S135S128-E132 WeakPolarHBondContact O-CG 3.47Å; S128-E132 PolarHBondContact O-N 2.88Å; I130-E132 VanDerWaalsContact C-N 3.34Å; I130-E132 PolarHBondContact O-N 3.24Å; E132-S135 PolarHBondContact O-N 3.02Å; E132-S135 PolarHBondContact O-OG 3.23Å
133I81.9Confident82.1Confident19 Ų1953.8 Ų53.810%0.09731%0.307CS..Hα-helixtrans-75.7-41.4-175.7-65.1167.2000112.4V70 L71 S74 G129 I130 K131 S135 D136 W139V70-I133 HydrophobicContact CG1-CG2 3.53Å; L71-I133 HydrophobicContact CD2-CD1 3.61Å; L71-I133 HydrophobicContact CG-CD1 4.24Å; S74-I133 VanDerWaalsContact CB-CD1 3.4Å; G129-I133 WeakPolarHBondContact O-CD1 3.31Å; G129-I133 VanDerWaalsContact O-CG1 3.3Å; G129-I133 WeakPolarHBondContact O-CG1 3.4Å; G129-I133 PolarHBondContact O-N 2.91Å; I130-I133 PolarHBondContact O-N 3.39Å; I130-I133 VanDerWaalsContact O-N 3.17Å; K131-I133 VanDerWaalsContact C-N 3.31Å; K131-I133 PolarHBondContact O-N 2.92Å; I133-S135 PolarHBondContact O-N 2.89Å; I133-S135 VanDerWaalsContact O-N 3.17Å; I133-D136 WeakPolarHBondContact O-CB 3.23Å; I133-D136 PolarHBondContact O-N 3.22Å; I133-D136 VanDerWaalsContact O-N 3.15Å; I133-W139 HydrophobicContact CG2-CE3 3.9Å; I133-W139 HydrophobicContact CG2-CH2 4.48Å; I133-W139 HydrophobicContact CG2-CZ3 3.49Å; I133-W139 VanDerWaalsContact CG2-CZ3 3.49Å
134Q79.5Confident81.8Confident56 Ų5654.6 Ų54.626%0.26231%0.31SS..Hα-helixtrans-63.6-20.3178.3-75.4177.8-32.400112.4I130 D136 G137 E144 N341I130-Q134 HydrophobicContact CG2-CG 4.17Å; I130-Q134 PolarHBondContact O-N 3.43Å; Q134-D136 PolarHBondContact O-N 2.95Å; Q134-G137 PolarHBondContact O-N 2.92Å; Q134-E144 PolarHBondContact NE2-OE2 3.01Å; Q134-N341 PolarHBondContact OE1-ND2 3.32Å
135S73.9Confident81.7Confident102 Ų10255.5 Ų55.571%0.71332%0.315SS*.THydrogen-bonded Turntrans-69.3-18.1176.377.10000114.4K131 E132 I133 G137K131-S135 PolarHBondContact O-N 2.86Å; E132-S135 PolarHBondContact O-N 3.02Å; E132-S135 PolarHBondContact O-OG 3.23Å; I133-S135 PolarHBondContact O-N 2.89Å; I133-S135 VanDerWaalsContact O-N 3.17Å; S135-G137 PolarHBondContact O-N 2.66Å
136D72.5Confident81.5Confident122 Ų12255.5 Ų55.565%0.65231%0.314SS*.THydrogen-bonded Turntrans-76.2-6.1179.3-160.925.1000113.1I133 Q134 S138I133-D136 WeakPolarHBondContact O-CB 3.23Å; I133-D136 PolarHBondContact O-N 3.22Å; I133-D136 VanDerWaalsContact O-N 3.15Å; Q134-D136 PolarHBondContact O-N 2.95Å; D136-S138 PolarHBondContact O-N 3.33Å
137G67.1Low81.4Confident68 Ų6855.5 Ų55.570%0.70131%0.314SS*.SBendtrans70.7-6.7170.700000116.3Q134 S135 W139Q134-G137 PolarHBondContact O-N 2.92Å; S135-G137 PolarHBondContact O-N 2.66Å; G137-W139 VanDerWaalsContact C-N 3.28Å; G137-W139 PolarHBondContact O-N 3.44Å
138S70.3Confident81.6Confident82 Ų8256.6 Ų56.657%0.57332%0.319SS*.  trans-88.823.5-176.665.60000114.3D136D136-S138 PolarHBondContact O-N 3.33Å
139W75.2Confident81.8Confident52 Ų5255.6 Ų55.620%0.19731%0.309CS..  trans-92.3119.7-169.9-158.6-97000112.2L71 I133 G137 Q143 E144 L147L71-W139 HydrophobicContact CD1-CH2 3.45Å; L71-W139 VanDerWaalsContact CD1-CH2 3.45Å; L71-W139 HydrophobicContact CD1-CZ2 4.05Å; L71-W139 HydrophobicContact CD2-CH2 4.13Å; L71-W139 HydrophobicContact CG-CH2 3.6Å; L71-W139 HydrophobicContact CG-CZ3 4.25Å; I133-W139 HydrophobicContact CG2-CE3 3.9Å; I133-W139 HydrophobicContact CG2-CH2 4.48Å; I133-W139 HydrophobicContact CG2-CZ3 3.49Å; I133-W139 VanDerWaalsContact CG2-CZ3 3.49Å; G137-W139 VanDerWaalsContact C-N 3.28Å; G137-W139 PolarHBondContact O-N 3.44Å; W139-Q143 HydrophobicContact CD2-CB 4.28Å; W139-Q143 HydrophobicContact CH2-CB 4.38Å; W139-Q143 HydrophobicContact CZ2-CB 3.83Å; W139-E144 VanDerWaalsContact NE1-CA 3.3Å; W139-E144 VanDerWaalsContact NE1-N 3.19Å; W139-E144 PolarHBondContact NE1-OE2 3.06Å; W139-L147 HydrophobicContact CZ2-CB 4.15Å; W139-L147 HydrophobicContact CZ2-CD2 3.83Å
140S82.4Confident82.1Confident51 Ų5155.7 Ų55.736%0.35731%0.309SS..  trans-82.3154.8176.967.80000112.3S142 Q143 E144S140-S142 PolarHBondContact O-N 3.27Å; S140-Q143 PolarHBondContact O-N 2.91Å; S140-Q143 VanDerWaalsContact OG-CD 3.27Å; S140-Q143 VanDerWaalsContact OG-CG 3.25Å; S140-Q143 WeakPolarHBondContact OG-CG 3.43Å; S140-Q143 PolarHBondContact OG-N 3.14Å; S140-Q143 PolarHBondContact OG-OE1 3.31Å; S140-E144 PolarHBondContact O-N 3.27Å; S140-E144 VanDerWaalsContact O-N 3.07Å
141E81.9Confident82.4Confident136 Ų13655.7 Ų55.764%0.63631%0.309SS*.Hα-helixtrans-58.2-35.4174.1-174.1177.1-160.700112.4E144 L145E141-E144 WeakPolarHBondContact O-CB 3.29Å; E141-E144 PolarHBondContact O-N 3.4Å; E141-L145 WeakPolarHBondContact O-CG 3.28Å; E141-L145 PolarHBondContact O-N 3.41Å; E141-L145 VanDerWaalsContact O-N 3.08Å
142S82.5Confident82.9Confident36 Ų3649.9 Ų49.925%0.25228%0.284SS..Hα-helixtrans-62-46.7175.4163.20000112.4S140 E144 L145 Q146 S453S140-S142 PolarHBondContact O-N 3.27Å; S142-E144 VanDerWaalsContact C-N 3.28Å; S142-E144 PolarHBondContact O-N 2.82Å; S142-L145 PolarHBondContact O-N 3.42Å; S142-Q146 WeakPolarHBondContact O-CG 3.47Å; S142-Q146 PolarHBondContact O-N 2.97Å; S142-Q146 VanDerWaalsContact O-N 3.08Å; S142-S453 WeakPolarHBondContact OG-CB 3.3Å; S142-S453 PolarHBondContact OG-OG 3.02Å
143Q83.6Confident83.5Confident46 Ų4645.4 Ų45.422%0.21526%0.263CS..Hα-helixtrans-65.1-34.5177.1-73.4164.2-41.800111.7P68 W139 S140 Q146 L147P68-Q143 HydrophobicContact CG-CG 4.49Å; W139-Q143 HydrophobicContact CD2-CB 4.28Å; W139-Q143 HydrophobicContact CH2-CB 4.38Å; W139-Q143 HydrophobicContact CZ2-CB 3.83Å; S140-Q143 PolarHBondContact O-N 2.91Å; S140-Q143 VanDerWaalsContact OG-CD 3.27Å; S140-Q143 VanDerWaalsContact OG-CG 3.25Å; S140-Q143 WeakPolarHBondContact OG-CG 3.43Å; S140-Q143 PolarHBondContact OG-N 3.14Å; S140-Q143 PolarHBondContact OG-OE1 3.31Å; Q143-Q146 PolarHBondContact O-N 3.3Å; Q143-L147 VanDerWaalsContact O-CB 3.3Å; Q143-L147 WeakPolarHBondContact O-CB 3.25Å; Q143-L147 PolarHBondContact O-N 2.82Å
144E85.3Confident84.1Confident28 Ų2844.5 Ų44.513%0.13126%0.258CS..Hα-helixtrans-62.1-46.1174.1-172.258.7-155.700111.1Q134 W139 S140 E141 S142 Q146 L147 Q148Q134-E144 PolarHBondContact NE2-OE2 3.01Å; W139-E144 VanDerWaalsContact NE1-CA 3.3Å; W139-E144 VanDerWaalsContact NE1-N 3.19Å; W139-E144 PolarHBondContact NE1-OE2 3.06Å; S140-E144 PolarHBondContact O-N 3.27Å; S140-E144 VanDerWaalsContact O-N 3.07Å; E141-E144 WeakPolarHBondContact O-CB 3.29Å; E141-E144 PolarHBondContact O-N 3.4Å; S142-E144 VanDerWaalsContact C-N 3.28Å; S142-E144 PolarHBondContact O-N 2.82Å; E144-Q146 PolarHBondContact O-N 3.37Å; E144-L147 WeakPolarHBondContact O-CB 3.35Å; E144-L147 PolarHBondContact O-N 2.9Å; E144-Q148 VanDerWaalsContact O-CG 3.26Å; E144-Q148 WeakPolarHBondContact O-CG 3.25Å; E144-Q148 PolarHBondContact O-N 2.81Å; E144-Q148 PolarHBondContact OE1-NE2 2.92Å
145L85.1Confident84.9Confident52 Ų5241.9 Ų41.927%0.27225%0.246SC..Hα-helixtrans-63.4-42.7178.2-65.8166.7000112.7E141 S142 L147 Q148 Y149E141-L145 WeakPolarHBondContact O-CG 3.28Å; E141-L145 PolarHBondContact O-N 3.41Å; E141-L145 VanDerWaalsContact O-N 3.08Å; S142-L145 PolarHBondContact O-N 3.42Å; L145-L147 VanDerWaalsContact C-N 3.29Å; L145-L147 PolarHBondContact O-N 3.44Å; L145-Q148 PolarHBondContact O-N 2.94Å; L145-Y149 WeakPolarHBondContact O-CB 3.38Å; L145-Y149 PolarHBondContact O-N 2.74Å
146Q86.9Confident86Confident29 Ų2937 Ų3714%0.13621%0.212CC..Hα-helixtrans-60.9-40.1175-70.6170.2-14.500111.6S142 Q143 E144 F150 Y450S142-Q146 WeakPolarHBondContact O-CG 3.47Å; S142-Q146 PolarHBondContact O-N 2.97Å; S142-Q146 VanDerWaalsContact O-N 3.08Å; Q143-Q146 PolarHBondContact O-N 3.3Å; E144-Q146 PolarHBondContact O-N 3.37Å; Q146-F150 WeakPolarHBondContact O-CB 3.28Å; Q146-F150 PolarHBondContact O-N 3.22Å; Q146-Y450 PolarHBondContact NE2-O 2.88Å
147L88.9Confident87.1Confident2 Ų231.4 Ų31.41%0.0118%0.182CC..Hα-helixtrans-66.1-47.7177174.262.1000111.5L71 I130 W139 Q143 E144 L145 Y149 F150 L151L71-L147 HydrophobicContact CD1-CB 4.5Å; L71-L147 HydrophobicContact CD1-CD1 3.82Å; L71-L147 HydrophobicContact CD2-CD1 4.37Å; I130-L147 HydrophobicContact CD1-CD1 4.21Å; I130-L147 HydrophobicContact CG1-CD1 4.28Å; I130-L147 HydrophobicContact CG2-CD2 3.62Å; W139-L147 HydrophobicContact CZ2-CB 4.15Å; W139-L147 HydrophobicContact CZ2-CD2 3.83Å; Q143-L147 VanDerWaalsContact O-CB 3.3Å; Q143-L147 WeakPolarHBondContact O-CB 3.25Å; Q143-L147 PolarHBondContact O-N 2.82Å; E144-L147 WeakPolarHBondContact O-CB 3.35Å; E144-L147 PolarHBondContact O-N 2.9Å; L145-L147 VanDerWaalsContact C-N 3.29Å; L145-L147 PolarHBondContact O-N 3.44Å; L147-Y149 VanDerWaalsContact C-N 3.31Å; L147-Y149 PolarHBondContact O-N 3.47Å; L147-F150 PolarHBondContact O-N 3.29Å; L147-L151 HydrophobicContact CD1-CD1 3.68Å; L147-L151 HydrophobicContact CD1-CD2 4.31Å; L147-L151 HydrophobicContact CD1-CG 3.81Å; L147-L151 HydrophobicContact CG-CD1 3.8Å; L147-L151 HydrophobicContact CG-CG 4.31Å; L147-L151 WeakPolarHBondContact O-CB 3.47Å; L147-L151 VanDerWaalsContact O-CG 3.23Å; L147-L151 WeakPolarHBondContact O-CG 3.39Å; L147-L151 PolarHBondContact O-N 2.99Å
148Q91.3Very high88.4Confident25 Ų2528.9 Ų28.912%0.11715%0.151CC..Hα-helixtrans-59.9-43.6177.9-63.3-65.4-37.900111E144 L145 L151 D152 R339 Y340E144-Q148 VanDerWaalsContact O-CG 3.26Å; E144-Q148 WeakPolarHBondContact O-CG 3.25Å; E144-Q148 PolarHBondContact O-N 2.81Å; E144-Q148 PolarHBondContact OE1-NE2 2.92Å; L145-Q148 PolarHBondContact O-N 2.94Å; Q148-L151 PolarHBondContact O-N 2.96Å; Q148-D152 PolarHBondContact O-N 3.38Å; Q148-D152 VanDerWaalsContact O-N 3.08Å; Q148-R339 VanDerWaalsContact OE1-CA 3.3Å; Q148-Y340 PolarHBondContact NE2-O 3.31Å
149Y90.9Very high89.6Confident18 Ų1825.2 Ų25.27%0.07113%0.125CC..Hα-helixtrans-59.7-47.5174.7180-109.9000112.6L145 L147 R153 S446 V449 Y450 L467L145-Y149 WeakPolarHBondContact O-CB 3.38Å; L145-Y149 PolarHBondContact O-N 2.74Å; L147-Y149 VanDerWaalsContact C-N 3.31Å; L147-Y149 PolarHBondContact O-N 3.47Å; Y149-R153 VanDerWaalsContact CE1-CD 3.42Å; Y149-R153 WeakPolarHBondContact O-CG 3.37Å; Y149-R153 PolarHBondContact O-N 3.25Å; Y149-R153 PolarHBondContact OH-NH1 3.45Å; Y149-S446 WeakPolarHBondContact OH-CA 3.32Å; Y149-V449 HydrophobicContact CD1-CB 4.12Å; Y149-V449 HydrophobicContact CD1-CG1 3.55Å; Y149-V449 HydrophobicContact CD2-CG1 4.05Å; Y149-V449 HydrophobicContact CE1-CB 3.7Å; Y149-V449 HydrophobicContact CE1-CG1 3.63Å; Y149-V449 HydrophobicContact CE1-CG2 4.27Å; Y149-V449 HydrophobicContact CE2-CG1 4.09Å; Y149-V449 HydrophobicContact CE2-CG2 4.41Å; Y149-V449 HydrophobicContact CG-CG1 3.75Å; Y149-Y450 AromaticContact CD1-CE1 3.89Å; Y149-Y450 HydrophobicContact CD1-CE1 3.89Å; Y149-Y450 HydrophobicContact CD1-CE2 4.04Å; Y149-Y450 AromaticContact CD1-CZ 3.63Å; Y149-Y450 HydrophobicContact CE1-CD2 4.36Å; Y149-Y450 HydrophobicContact CE1-CE1 4.45Å; Y149-Y450 AromaticContact CE1-CE2 3.76Å; Y149-Y450 HydrophobicContact CE1-CE2 3.76Å; Y149-Y450 AromaticContact CE1-CZ 3.82Å; Y149-L467 HydrophobicContact CD2-CB 3.73Å; Y149-L467 HydrophobicContact CD2-CD1 3.38Å; Y149-L467 HydrophobicContact CD2-CG 4.13Å; Y149-L467 HydrophobicContact CE2-CB 4Å; Y149-L467 HydrophobicContact CE2-CD1 4.09Å; Y149-L467 HydrophobicContact CG-CD1 3.91Å
150F92.7Very high90.6Very high2 Ų222.8 Ų22.81%0.00912%0.116CC..Hα-helixtrans-59.1-48.8176.1167.5-100.5000111.8E63 I64 L67 M126 Q146 L147 D152 R153 F154 Y450E63-F150 HydrophobicContact CB-CD2 4.25Å; E63-F150 HydrophobicContact CB-CE2 4.28Å; I64-F150 HydrophobicContact CB-CE2 4.43Å; I64-F150 HydrophobicContact CG1-CE2 3.83Å; I64-F150 HydrophobicContact CG1-CZ 3.86Å; L67-F150 HydrophobicContact CD1-CD1 4.27Å; L67-F150 HydrophobicContact CD1-CE1 3.85Å; L67-F150 HydrophobicContact CD1-CE2 4.12Å; L67-F150 HydrophobicContact CD1-CZ 3.77Å; L67-F150 HydrophobicContact CD2-CB 3.89Å; L67-F150 HydrophobicContact CD2-CD1 3.61Å; L67-F150 HydrophobicContact CD2-CD2 3.8Å; L67-F150 HydrophobicContact CD2-CE1 4.06Å; L67-F150 HydrophobicContact CD2-CE2 4.24Å; L67-F150 HydrophobicContact CD2-CG 3.46Å; L67-F150 VanDerWaalsContact CD2-CG 3.46Å; L67-F150 HydrophobicContact CD2-CZ 4.36Å; L67-F150 HydrophobicContact CG-CD1 4.35Å; L67-F150 HydrophobicContact CG-CD2 4.09Å; L67-F150 HydrophobicContact CG-CE1 4.35Å; L67-F150 HydrophobicContact CG-CE2 4.1Å; L67-F150 HydrophobicContact CG-CG 4.22Å; L67-F150 HydrophobicContact CG-CZ 4.24Å; M126-F150 HydrophobicContact CE-CE1 3.93Å; M126-F150 HydrophobicContact CE-CZ 4.24Å; M126-F150 HydrophobicContact SD-CE1 4.07Å; Q146-F150 WeakPolarHBondContact O-CB 3.28Å; Q146-F150 PolarHBondContact O-N 3.22Å; L147-F150 PolarHBondContact O-N 3.29Å; F150-D152 VanDerWaalsContact C-N 3.33Å; F150-D152 PolarHBondContact O-N 3.29Å; F150-R153 PolarHBondContact O-N 3.48Å; F150-R153 VanDerWaalsContact O-N 3.16Å; F150-F154 HydrophobicContact CD1-CB 4.43Å; F150-F154 HydrophobicContact CE1-CB 3.98Å; F150-F154 HydrophobicContact CE1-CD2 4.42Å; F150-F154 HydrophobicContact CE1-CG 4.15Å; F150-F154 HydrophobicContact CE2-CB 4.14Å; F150-F154 HydrophobicContact CE2-CD2 4.31Å; F150-F154 HydrophobicContact CZ-CB 3.82Å; F150-F154 AromaticContact CZ-CD2 3.72Å; F150-F154 HydrophobicContact CZ-CD2 3.72Å; F150-F154 AromaticContact CZ-CG 3.86Å; F150-F154 HydrophobicContact CZ-CG 3.86Å; F150-F154 VanDerWaalsContact O-CB 3.26Å; F150-F154 WeakPolarHBondContact O-CB 3.38Å; F150-F154 PolarHBondContact O-N 2.76Å; F150-Y450 VanDerWaalsContact CA-OH 3.31Å; F150-Y450 WeakPolarHBondContact CA-OH 3.39Å; F150-Y450 HydrophobicContact CB-CE1 3.95Å
151L93.7Very high91.3Very high0 Ų021 Ų210%010%0.102CC..Hα-helixtrans-65.1-39-174.4-70.6172.4000111.9M126 I130 L147 Q148 R153 F154 Y155 Y340M126-L151 HydrophobicContact CG-CD2 3.86Å; M126-L151 HydrophobicContact SD-CD2 3.27Å; M126-L151 WeakPolarHBondContact SD-CD2 3.4Å; I130-L151 HydrophobicContact CD1-CD1 3.68Å; I130-L151 HydrophobicContact CD1-CD2 3.84Å; I130-L151 HydrophobicContact CD1-CG 4.36Å; L147-L151 HydrophobicContact CD1-CD1 3.68Å; L147-L151 HydrophobicContact CD1-CD2 4.31Å; L147-L151 HydrophobicContact CD1-CG 3.81Å; L147-L151 HydrophobicContact CG-CD1 3.8Å; L147-L151 HydrophobicContact CG-CG 4.31Å; L147-L151 WeakPolarHBondContact O-CB 3.47Å; L147-L151 VanDerWaalsContact O-CG 3.23Å; L147-L151 WeakPolarHBondContact O-CG 3.39Å; L147-L151 PolarHBondContact O-N 2.99Å; Q148-L151 PolarHBondContact O-N 2.96Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-R153 PolarHBondContact O-N 2.97Å; L151-F154 PolarHBondContact O-N 3.48Å; L151-Y155 HydrophobicContact CB-CD2 4.18Å; L151-Y155 HydrophobicContact CB-CE2 4.03Å; L151-Y155 HydrophobicContact CD2-CE2 3.86Å; L151-Y155 HydrophobicContact CG-CE2 4.44Å; L151-Y155 WeakPolarHBondContact O-CB 3.38Å; L151-Y155 WeakPolarHBondContact O-CD2 3.37Å; L151-Y155 PolarHBondContact O-N 3.44Å; L151-Y340 HydrophobicContact CB-CD1 4.5Å; L151-Y340 HydrophobicContact CB-CD2 3.36Å; L151-Y340 HydrophobicContact CB-CE1 4.4Å; L151-Y340 HydrophobicContact CB-CE2 3.3Å; L151-Y340 HydrophobicContact CB-CG 4.01Å; L151-Y340 VanDerWaalsContact CD1-CB 3.49Å; L151-Y340 HydrophobicContact CD1-CD1 4.3Å; L151-Y340 HydrophobicContact CD1-CD2 3.42Å; L151-Y340 VanDerWaalsContact CD1-CD2 3.42Å; L151-Y340 HydrophobicContact CD1-CE2 4.26Å; L151-Y340 HydrophobicContact CD1-CG 3.46Å; L151-Y340 VanDerWaalsContact CD1-CG 3.46Å; L151-Y340 HydrophobicContact CG-CD2 4.03Å; L151-Y340 HydrophobicContact CG-CE2 4.42Å; L151-Y340 HydrophobicContact CG-CG 4.36Å
152D94Very high91.9Very high10 Ų1015.7 Ų15.75%0.0538%0.077CC..Hα-helixtrans-57.7-47.6173.6-81.1-14.5000111.1Q148 F150 V156 Y340 L403 F468Q148-D152 PolarHBondContact O-N 3.38Å; Q148-D152 VanDerWaalsContact O-N 3.08Å; F150-D152 VanDerWaalsContact C-N 3.33Å; F150-D152 PolarHBondContact O-N 3.29Å; D152-V156 WeakPolarHBondContact O-CB 3.36Å; D152-V156 VanDerWaalsContact O-CG2 3.23Å; D152-V156 WeakPolarHBondContact O-CG2 3.35Å; D152-V156 PolarHBondContact O-N 2.76Å; D152-Y340 WeakPolarHBondContact OD1-CE2 3.43Å; D152-Y340 PolarHBondContact OD1-OH 3.37Å; D152-L403 HydrophobicContact CB-CD2 4.33Å; D152-F468 HydrophobicContact CB-CD2 3.96Å; D152-F468 HydrophobicContact CB-CE2 3.42Å; D152-F468 VanDerWaalsContact CB-CE2 3.42Å; D152-F468 HydrophobicContact CB-CZ 4.26Å
153R94.5Very high92.5Very high18 Ų1814.6 Ų14.67%0.0687%0.068CC..Hα-helixtrans-68.2-44.5-179.7-65.4173.463.786.83.1112E63 Y149 F150 L151 Y155 V156 S157 P440 L441 F468E63-R153 IonicContact OE1-CZ 3.32Å; E63-R153 IonicContact OE1-NE 3.53Å; E63-R153 PolarHBondContact OE1-NE 3.05Å; E63-R153 IonicContact OE1-NH2 2.81Å; E63-R153 PolarHBondContact OE1-NH2 3.37Å; E63-R153 VanDerWaalsContact OE2-CD 3.3Å; E63-R153 WeakPolarHBondContact OE2-CD 3.33Å; E63-R153 IonicContact OE2-CZ 2.85Å; E63-R153 IonicContact OE2-NE 3.53Å; E63-R153 PolarHBondContact OE2-NE 3.12Å; E63-R153 IonicContact OE2-NH2 3.33Å; Y149-R153 VanDerWaalsContact CE1-CD 3.42Å; Y149-R153 WeakPolarHBondContact O-CG 3.37Å; Y149-R153 PolarHBondContact O-N 3.25Å; Y149-R153 PolarHBondContact OH-NH1 3.45Å; F150-R153 PolarHBondContact O-N 3.48Å; F150-R153 VanDerWaalsContact O-N 3.16Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-R153 PolarHBondContact O-N 2.97Å; R153-Y155 PolarHBondContact O-N 3.05Å; R153-V156 PolarHBondContact O-N 2.89Å; R153-S157 VanDerWaalsContact O-CB 3.31Å; R153-S157 WeakPolarHBondContact O-CB 3.43Å; R153-S157 PolarHBondContact O-N 3.49Å; R153-P440 HydrophobicContact CB-CB 4.02Å; R153-P440 HydrophobicContact CB-CG 4.31Å; R153-P440 HydrophobicContact CG-CB 4.12Å; R153-P440 WeakPolarHBondContact O-CG 3.17Å; R153-L441 VanDerWaalsContact NH2-C 3.31Å; R153-L441 PolarHBondContact NH2-O 3.19Å; R153-F468 HydrophobicContact CG-CE2 4Å; R153-F468 HydrophobicContact CG-CZ 3.67Å
154F95.1Very high93.1Very high0 Ų012.7 Ų12.70%06%0.06CC..Hα-helixtrans-58.9-48177.4179.1-96.1000112.3I60 I64 I80 Y84 V122 M126 F150 L151 S157 R158I60-F154 VanDerWaalsContact CD1-CA 3.43Å; I60-F154 HydrophobicContact CD1-CB 3.98Å; I60-F154 HydrophobicContact CD1-CD2 4.03Å; I60-F154 HydrophobicContact CD1-CG 4.48Å; I60-F154 HydrophobicContact CG1-CD2 3.68Å; I60-F154 HydrophobicContact CG1-CE2 4.4Å; I60-F154 HydrophobicContact CG1-CG 4.5Å; I64-F154 HydrophobicContact CD1-CD2 4.35Å; I64-F154 HydrophobicContact CD1-CE2 4.01Å; I64-F154 HydrophobicContact CG1-CD2 4.37Å; I64-F154 HydrophobicContact CG1-CE2 4.46Å; I80-F154 HydrophobicContact CG2-CE2 4.21Å; I80-F154 HydrophobicContact CG2-CZ 3.92Å; Y84-F154 HydrophobicContact CE1-CE2 4.06Å; Y84-F154 HydrophobicContact CE2-CE2 4.17Å; Y84-F154 HydrophobicContact CE2-CZ 4.06Å; Y84-F154 AromaticContact CZ-CE2 3.63Å; Y84-F154 AromaticContact CZ-CZ 3.72Å; Y84-F154 WeakPolarHBondContact OH-CE2 3.43Å; Y84-F154 WeakPolarHBondContact OH-CZ 3.31Å; V122-F154 HydrophobicContact CG1-CE1 3.61Å; V122-F154 HydrophobicContact CG1-CZ 3.51Å; M126-F154 HydrophobicContact CE-CD1 3.8Å; M126-F154 HydrophobicContact CE-CD2 4.3Å; M126-F154 HydrophobicContact CE-CE1 3.44Å; M126-F154 VanDerWaalsContact CE-CE1 3.44Å; M126-F154 HydrophobicContact CE-CE2 3.99Å; M126-F154 HydrophobicContact CE-CG 4.21Å; M126-F154 HydrophobicContact CE-CZ 3.55Å; M126-F154 HydrophobicContact SD-CD1 3.46Å; M126-F154 WeakPolarHBondContact SD-CD1 3.41Å; M126-F154 HydrophobicContact SD-CE1 3.47Å; M126-F154 WeakPolarHBondContact SD-CE1 3.26Å; M126-F154 HydrophobicContact SD-CG 4.21Å; M126-F154 HydrophobicContact SD-CZ 4.22Å; F150-F154 HydrophobicContact CD1-CB 4.43Å; F150-F154 HydrophobicContact CE1-CB 3.98Å; F150-F154 HydrophobicContact CE1-CD2 4.42Å; F150-F154 HydrophobicContact CE1-CG 4.15Å; F150-F154 HydrophobicContact CE2-CB 4.14Å; F150-F154 HydrophobicContact CE2-CD2 4.31Å; F150-F154 HydrophobicContact CZ-CB 3.82Å; F150-F154 AromaticContact CZ-CD2 3.72Å; F150-F154 HydrophobicContact CZ-CD2 3.72Å; F150-F154 AromaticContact CZ-CG 3.86Å; F150-F154 HydrophobicContact CZ-CG 3.86Å; F150-F154 VanDerWaalsContact O-CB 3.26Å; F150-F154 WeakPolarHBondContact O-CB 3.38Å; F150-F154 PolarHBondContact O-N 2.76Å; L151-F154 PolarHBondContact O-N 3.48Å; F154-S157 PolarHBondContact O-N 2.92Å; F154-R158 WeakPolarHBondContact O-CB 3.1Å; F154-R158 PolarHBondContact O-N 2.87Å
155Y95.8Very high93.6Very high1 Ų111.7 Ų11.70%0.0046%0.055CC..Hα-helixtrans-73.5-36.9-178.8-68.4-46000112.9V123 M126 L151 R153 R158 I159 Y340 H396 L400 L403V123-Y155 HydrophobicContact CB-CE1 4.19Å; V123-Y155 HydrophobicContact CG1-CE1 4.01Å; V123-Y155 HydrophobicContact CG2-CD1 4.19Å; V123-Y155 HydrophobicContact CG2-CE1 3.81Å; M126-Y155 WeakPolarHBondContact CG-OH 3.49Å; M126-Y155 HydrophobicContact SD-CE1 4.17Å; L151-Y155 HydrophobicContact CB-CD2 4.18Å; L151-Y155 HydrophobicContact CB-CE2 4.03Å; L151-Y155 HydrophobicContact CD2-CE2 3.86Å; L151-Y155 HydrophobicContact CG-CE2 4.44Å; L151-Y155 WeakPolarHBondContact O-CB 3.38Å; L151-Y155 WeakPolarHBondContact O-CD2 3.37Å; L151-Y155 PolarHBondContact O-N 3.44Å; R153-Y155 PolarHBondContact O-N 3.05Å; Y155-R158 PolarHBondContact O-N 3.08Å; Y155-I159 VanDerWaalsContact O-CG1 3.27Å; Y155-I159 WeakPolarHBondContact O-CG1 3.23Å; Y155-I159 PolarHBondContact O-N 3.3Å; Y155-Y340 HydrophobicContact CD2-CD1 4.41Å; Y155-Y340 AromaticContact CD2-CE1 3.55Å; Y155-Y340 HydrophobicContact CD2-CE1 3.55Å; Y155-Y340 AromaticContact CD2-CZ 3.73Å; Y155-Y340 AromaticContact CE2-CD1 3.95Å; Y155-Y340 HydrophobicContact CE2-CD1 3.95Å; Y155-Y340 AromaticContact CE2-CE1 3.53Å; Y155-Y340 HydrophobicContact CE2-CE1 3.53Å; Y155-H396 AromaticContact CE2-ND1 3.58Å; Y155-H396 AromaticContact CZ-ND1 3.75Å; Y155-H396 PolarHBondContact OH-CE1 3.37Å; Y155-H396 VanDerWaalsContact OH-CE1 3.29Å; Y155-H396 PolarHBondContact OH-ND1 3.2Å; Y155-L400 HydrophobicContact CD1-CD2 4.02Å; Y155-L400 HydrophobicContact CD2-CD2 3.68Å; Y155-L400 HydrophobicContact CE2-CD2 4.35Å; Y155-L400 HydrophobicContact CG-CD2 3.49Å; Y155-L400 VanDerWaalsContact CG-CD2 3.49Å; Y155-L403 VanDerWaalsContact CB-CD1 3.48Å
156V95.7Very high93.9Very high0 Ų011.2 Ų11.20%05%0.053CC..Hα-helixtrans-61.8-46.11721730000111.1D152 R153 R158 I159 G160 L403 Y407 L438D152-V156 WeakPolarHBondContact O-CB 3.36Å; D152-V156 VanDerWaalsContact O-CG2 3.23Å; D152-V156 WeakPolarHBondContact O-CG2 3.35Å; D152-V156 PolarHBondContact O-N 2.76Å; R153-V156 PolarHBondContact O-N 2.89Å; V156-R158 VanDerWaalsContact C-N 3.3Å; V156-R158 PolarHBondContact O-N 3.41Å; V156-I159 PolarHBondContact O-N 3.43Å; V156-G160 PolarHBondContact O-N 3.08Å; V156-L403 HydrophobicContact CG2-CB 4.02Å; V156-L403 HydrophobicContact CG2-CD1 3.92Å; V156-L403 HydrophobicContact CG2-CD2 3.61Å; V156-L403 HydrophobicContact CG2-CG 4.03Å; V156-Y407 HydrophobicContact CG1-CD2 4.5Å; V156-L438 WeakPolarHBondContact CG1-O 3.21Å
157S95.7Very high94.2Very high3 Ų310.3 Ų10.32%0.0215%0.049CC..Hα-helixtrans-58-43.5175.3179.90000111.6R153 F154 G160 I161R153-S157 VanDerWaalsContact O-CB 3.31Å; R153-S157 WeakPolarHBondContact O-CB 3.43Å; R153-S157 PolarHBondContact O-N 3.49Å; F154-S157 PolarHBondContact O-N 2.92Å; S157-G160 PolarHBondContact O-N 3.38Å; S157-I161 WeakPolarHBondContact O-CG1 3.36Å; S157-I161 PolarHBondContact O-N 2.97Å
158R95.6Very high94.5Very high15 Ų1510.3 Ų10.36%0.0575%0.048CC..Hα-helixtrans-62.7-43.1176.3-177.9-178.7177.4-86.62.8112.4H119 F154 Y155 V156 G160 I161 R162H119-R158 PolarHBondContact O-NH2 3.16Å; F154-R158 WeakPolarHBondContact O-CB 3.1Å; F154-R158 PolarHBondContact O-N 2.87Å; Y155-R158 PolarHBondContact O-N 3.08Å; V156-R158 VanDerWaalsContact C-N 3.3Å; V156-R158 PolarHBondContact O-N 3.41Å; R158-G160 VanDerWaalsContact C-N 3.33Å; R158-I161 PolarHBondContact O-N 3.25Å; R158-R162 HydrophobicContact CG-CG 4.39Å; R158-R162 VanDerWaalsContact CZ-CD 3.41Å; R158-R162 WeakPolarHBondContact O-CB 3.26Å; R158-R162 VanDerWaalsContact O-CG 3.3Å; R158-R162 WeakPolarHBondContact O-CG 3.43Å; R158-R162 PolarHBondContact O-N 3.01Å
159I95.5Very high94.5Very high6 Ų610.2 Ų10.23%0.0315%0.048CC..Hα-helixtrans-57.9-50.4175.6-68.3163.3000108.8Y155 V156 I161 R162 T163 L403 Y404 Y407Y155-I159 VanDerWaalsContact O-CG1 3.27Å; Y155-I159 WeakPolarHBondContact O-CG1 3.23Å; Y155-I159 PolarHBondContact O-N 3.3Å; V156-I159 PolarHBondContact O-N 3.43Å; I159-I161 PolarHBondContact O-N 2.92Å; I159-R162 PolarHBondContact O-N 3.32Å; I159-T163 PolarHBondContact O-N 3.48Å; I159-T163 PolarHBondContact O-OG1 3.38Å; I159-T163 VanDerWaalsContact O-OG1 3.1Å; I159-L403 HydrophobicContact CD1-CB 3.99Å; I159-Y404 HydrophobicContact CD1-CD1 3.96Å; I159-Y404 HydrophobicContact CD1-CE1 4.05Å; I159-Y404 HydrophobicContact CD1-CG 4.24Å; I159-Y404 HydrophobicContact CG1-CD1 4.27Å; I159-Y404 HydrophobicContact CG1-CE1 3.93Å; I159-Y404 HydrophobicContact CG2-CD1 4.25Å; I159-Y404 HydrophobicContact CG2-CE1 4.22Å; I159-Y407 HydrophobicContact CB-CD2 4.45Å; I159-Y407 HydrophobicContact CB-CG 4.42Å; I159-Y407 HydrophobicContact CG2-CD1 3.47Å; I159-Y407 VanDerWaalsContact CG2-CD1 3.47Å; I159-Y407 HydrophobicContact CG2-CD2 3.93Å; I159-Y407 HydrophobicContact CG2-CE1 3.78Å; I159-Y407 HydrophobicContact CG2-CE2 4.18Å; I159-Y407 HydrophobicContact CG2-CG 3.55Å
160G96.3Very high94.4Very high0 Ų011.5 Ų11.50%06%0.055CC..Hα-helixtrans-58.3-47.3178.300000114.3R56 V156 S157 R158 R162 T163 L164 Y407R56-G160 VanDerWaalsContact NH1-C 3.3Å; R56-G160 PolarHBondContact NH1-O 3.24Å; R56-G160 VanDerWaalsContact NH1-O 3.13Å; V156-G160 PolarHBondContact O-N 3.08Å; S157-G160 PolarHBondContact O-N 3.38Å; R158-G160 VanDerWaalsContact C-N 3.33Å; G160-R162 VanDerWaalsContact C-N 3.34Å; G160-R162 PolarHBondContact O-N 2.77Å; G160-T163 PolarHBondContact O-N 2.82Å; G160-L164 PolarHBondContact O-N 2.91Å; G160-Y407 VanDerWaalsContact CA-CE2 3.44Å; G160-Y407 WeakPolarHBondContact CA-OH 3.45Å
161I96.7Very high94.3Very high13 Ų1313 Ų137%0.0676%0.063CC..Hα-helixtrans-60.7-45176.4-69.6165.7000110.5L53 R56 L57 S157 R158 I159 L164 L165L53-I161 HydrophobicContact CD2-CG2 4.2Å; R56-I161 HydrophobicContact CB-CD1 4.01Å; R56-I161 HydrophobicContact CB-CG1 3.77Å; L57-I161 HydrophobicContact CD2-CD1 3.97Å; L57-I161 HydrophobicContact CG-CD1 4.27Å; S157-I161 WeakPolarHBondContact O-CG1 3.36Å; S157-I161 PolarHBondContact O-N 2.97Å; R158-I161 PolarHBondContact O-N 3.25Å; I159-I161 PolarHBondContact O-N 2.92Å; I161-L164 PolarHBondContact O-N 3.38Å; I161-L165 HydrophobicContact CG2-CD1 3.67Å; I161-L165 HydrophobicContact CG2-CG 4.26Å; I161-L165 WeakPolarHBondContact O-CB 3.15Å; I161-L165 VanDerWaalsContact O-CG 3.25Å; I161-L165 WeakPolarHBondContact O-CG 3.44Å; I161-L165 PolarHBondContact O-N 3.27Å
162R94.7Very high94.2Very high26 Ų2615.6 Ų15.610%0.0987%0.073CC..Hα-helixtrans-65.7-40.7179.5-75.8178.460.4750.3112.6L116 R158 I159 G160 L164 L165 N166 S383L116-R162 HydrophobicContact CD2-CG 4.5Å; R158-R162 HydrophobicContact CG-CG 4.39Å; R158-R162 VanDerWaalsContact CZ-CD 3.41Å; R158-R162 WeakPolarHBondContact O-CB 3.26Å; R158-R162 VanDerWaalsContact O-CG 3.3Å; R158-R162 WeakPolarHBondContact O-CG 3.43Å; R158-R162 PolarHBondContact O-N 3.01Å; I159-R162 PolarHBondContact O-N 3.32Å; G160-R162 VanDerWaalsContact C-N 3.34Å; G160-R162 PolarHBondContact O-N 2.77Å; R162-L164 VanDerWaalsContact C-N 3.32Å; R162-L164 PolarHBondContact O-N 3.01Å; R162-L165 PolarHBondContact O-N 2.93Å; R162-N166 WeakPolarHBondContact O-CB 3.26Å; R162-N166 VanDerWaalsContact O-CG 3.3Å; R162-N166 PolarHBondContact O-N 2.69Å; R162-S383 PolarHBondContact NH2-OG 2.84Å; R162-S383 VanDerWaalsContact NH2-OG 3.09Å
163T94.9Very high93.8Very high13 Ų1315.4 Ų15.48%0.087%0.074CC..Hα-helixtrans-57.8-46.8176.2-63.20000110.6L33 I159 G160 Q167 I275 Y407L33-T163 HydrophobicContact CD1-CG2 4.19Å; I159-T163 PolarHBondContact O-N 3.48Å; I159-T163 PolarHBondContact O-OG1 3.38Å; I159-T163 VanDerWaalsContact O-OG1 3.1Å; G160-T163 PolarHBondContact O-N 2.82Å; T163-Q167 VanDerWaalsContact O-CB 3.24Å; T163-Q167 WeakPolarHBondContact O-CB 3.4Å; T163-Q167 PolarHBondContact O-N 3.48Å; T163-I275 HydrophobicContact CG2-CD1 3.86Å; T163-Y407 VanDerWaalsContact CB-OH 3.23Å; T163-Y407 WeakPolarHBondContact CB-OH 3.38Å; T163-Y407 HydrophobicContact CG2-CE1 4.41Å; T163-Y407 WeakPolarHBondContact CG2-OH 3.16Å; T163-Y407 PolarHBondContact OG1-OH 3.42Å
164L96.2Very high93.1Very high6 Ų619.7 Ų19.73%0.03110%0.104CC..Hα-helixtrans-63.6-45.8177.1-71.3-172.4000113.5L28 L33 F48 L49 E52 G160 I161 R162 Q167 H168L28-L164 HydrophobicContact CD1-CD2 3.93Å; L33-L164 HydrophobicContact CD2-CD2 3.97Å; F48-L164 HydrophobicContact CE1-CD1 4.07Å; F48-L164 HydrophobicContact CE1-CD2 4.13Å; L49-L164 HydrophobicContact CD2-CB 3.78Å; L49-L164 HydrophobicContact CD2-CD1 3.92Å; L49-L164 HydrophobicContact CD2-CG 4.31Å; E52-L164 HydrophobicContact CG-CD1 3.92Å; G160-L164 PolarHBondContact O-N 2.91Å; I161-L164 PolarHBondContact O-N 3.38Å; R162-L164 VanDerWaalsContact C-N 3.32Å; R162-L164 PolarHBondContact O-N 3.01Å; L164-Q167 PolarHBondContact O-N 2.72Å; L164-H168 PolarHBondContact O-N 3.34Å; L164-H168 VanDerWaalsContact O-N 3.08Å
165L95.3Very high91.7Very high6 Ų621.5 Ų21.53%0.03112%0.115CC..Hα-helixtrans-65.1-46.4179.8-70.8174.2000111.6L53 V112 I115 L116 I161 R162 Q167 H168 F169L53-L165 HydrophobicContact CD1-CD2 3.6Å; L53-L165 HydrophobicContact CD2-CD2 4.1Å; L53-L165 HydrophobicContact CD2-CG 4.21Å; V112-L165 HydrophobicContact CB-CD2 4.32Å; V112-L165 HydrophobicContact CG1-CB 4.03Å; V112-L165 HydrophobicContact CG1-CD2 3.87Å; V112-L165 WeakPolarHBondContact CG1-O 3.3Å; V112-L165 HydrophobicContact CG2-CD2 3.8Å; I115-L165 HydrophobicContact CG2-CD1 3.78Å; L116-L165 HydrophobicContact CD1-CB 4.23Å; L116-L165 HydrophobicContact CD2-CB 3.65Å; L116-L165 HydrophobicContact CD2-CD1 4.16Å; L116-L165 HydrophobicContact CG-CB 3.95Å; L116-L165 HydrophobicContact CG-CD1 4.48Å; I161-L165 HydrophobicContact CG2-CD1 3.67Å; I161-L165 HydrophobicContact CG2-CG 4.26Å; I161-L165 WeakPolarHBondContact O-CB 3.15Å; I161-L165 VanDerWaalsContact O-CG 3.25Å; I161-L165 WeakPolarHBondContact O-CG 3.44Å; I161-L165 PolarHBondContact O-N 3.27Å; R162-L165 PolarHBondContact O-N 2.93Å; L165-Q167 VanDerWaalsContact C-N 3.33Å; L165-Q167 PolarHBondContact O-N 3.4Å; L165-H168 PolarHBondContact O-N 3.2Å; L165-F169 WeakPolarHBondContact O-CB 3.47Å; L165-F169 PolarHBondContact O-N 3.01Å
166N92.1Very high89.6Confident42 Ų4227.2 Ų27.223%0.22515%0.145CC..Hα-helixtrans-61.2-43.3175.9-78.1-14.7000110.8L116 R162 H168 F169 M170L116-N166 VanDerWaalsContact CD1-OD1 3.23Å; L116-N166 WeakPolarHBondContact CD1-OD1 3.08Å; L116-N166 WeakPolarHBondContact CD2-OD1 3.46Å; R162-N166 WeakPolarHBondContact O-CB 3.26Å; R162-N166 VanDerWaalsContact O-CG 3.3Å; R162-N166 PolarHBondContact O-N 2.69Å; N166-H168 VanDerWaalsContact C-N 3.34Å; N166-H168 PolarHBondContact O-N 3.25Å; N166-F169 PolarHBondContact O-N 2.96Å; N166-M170 WeakPolarHBondContact O-CB 3.32Å; N166-M170 VanDerWaalsContact O-CG 3.26Å; N166-M170 WeakPolarHBondContact O-CG 3.2Å; N166-M170 PolarHBondContact O-N 3.45Å
167Q92.8Very high87.5Confident11 Ų1128.7 Ų28.75%0.05116%0.155CC..Hα-helixtrans-59.2-46.1178.4-169.767.1-4.700111.3T163 L164 L165 L171 V183T163-Q167 VanDerWaalsContact O-CB 3.24Å; T163-Q167 WeakPolarHBondContact O-CB 3.4Å; T163-Q167 PolarHBondContact O-N 3.48Å; L164-Q167 PolarHBondContact O-N 2.72Å; L165-Q167 VanDerWaalsContact C-N 3.33Å; L165-Q167 PolarHBondContact O-N 3.4Å; Q167-L171 HydrophobicContact CG-CD1 3.97Å; Q167-L171 WeakPolarHBondContact O-CB 3.21Å; Q167-L171 WeakPolarHBondContact O-CD1 3.38Å; Q167-L171 WeakPolarHBondContact O-CG 3.37Å; Q167-L171 PolarHBondContact O-N 3.28Å; Q167-V183 PolarHBondContact NE2-O 3.09Å; Q167-V183 PolarHBondContact OE1-O 2.81Å
168H94.2Very high85.4Confident1 Ų134.8 Ų34.81%0.00519%0.188CC..Hα-helixtrans-61.5-49.9175.3-178.889.2000112.3S45 L49 F108 T109 L164 L165 N166 L171 Y172S45-H168 WeakPolarHBondContact CB-ND1 3.01Å; S45-H168 PolarHBondContact OG-ND1 3.35Å; L49-H168 HydrophobicContact CD1-CB 3.58Å; F108-H168 AromaticContact CD1-CE1 3.77Å; F108-H168 AromaticContact CD1-NE2 3.53Å; F108-H168 AromaticContact CE1-CE1 3.79Å; F108-H168 AromaticContact CE1-NE2 3.76Å; T109-H168 PolarHBondContact OG1-NE2 3.32Å; L164-H168 PolarHBondContact O-N 3.34Å; L164-H168 VanDerWaalsContact O-N 3.08Å; L165-H168 PolarHBondContact O-N 3.2Å; N166-H168 VanDerWaalsContact C-N 3.34Å; N166-H168 PolarHBondContact O-N 3.25Å; H168-L171 PolarHBondContact O-N 3.49Å; H168-Y172 AromaticContact CE1-CD2 3.83Å; H168-Y172 AromaticContact ND1-CD2 3.62Å; H168-Y172 WeakPolarHBondContact O-CD2 3.49Å; H168-Y172 PolarHBondContact O-N 3.08Å
169F92.4Very high83.6Confident24 Ų2434.8 Ų34.811%0.10519%0.189CC..Hα-helixtrans-65.8-40.8-175.9-176.6-109.6000112.6T109 V112 D113 L116 L165 N166 L171 G173T109-F169 HydrophobicContact CG2-CD2 4.2Å; V112-F169 HydrophobicContact CG1-CB 3.99Å; D113-F169 HydrophobicContact CB-CD2 3.85Å; D113-F169 HydrophobicContact CB-CE2 3.48Å; D113-F169 VanDerWaalsContact CB-CE2 3.48Å; D113-F169 HydrophobicContact CB-CZ 3.94Å; L116-F169 HydrophobicContact CD1-CB 4.11Å; L116-F169 HydrophobicContact CD1-CG 4.44Å; L165-F169 WeakPolarHBondContact O-CB 3.47Å; L165-F169 PolarHBondContact O-N 3.01Å; N166-F169 PolarHBondContact O-N 2.96Å; F169-L171 VanDerWaalsContact C-N 3.34Å; F169-L171 PolarHBondContact O-N 2.92Å; F169-G173 WeakPolarHBondContact O-CA 3.36Å; F169-G173 PolarHBondContact O-N 3.19Å
170M88.5Confident82.1Confident44 Ų4442.8 Ų42.822%0.21723%0.226CC..Hα-helixtrans-69.7-30.9179.2-68.9-178.374.800112.9N166 G184 G185N166-M170 WeakPolarHBondContact O-CB 3.32Å; N166-M170 VanDerWaalsContact O-CG 3.26Å; N166-M170 WeakPolarHBondContact O-CG 3.2Å; N166-M170 PolarHBondContact O-N 3.45Å; M170-G184 WeakPolarHBondContact CE-O 3.21Å; M170-G185 VanDerWaalsContact SD-CA 3.59Å
171L90.1Very high81.2Confident35 Ų3545.5 Ų45.518%0.18325%0.245CC..Hα-helixtrans-81.4-34.5178.5-71171000113.4G37 Q167 H168 F169 V183G37-L171 VanDerWaalsContact CA-CD1 3.49Å; Q167-L171 HydrophobicContact CG-CD1 3.97Å; Q167-L171 WeakPolarHBondContact O-CB 3.21Å; Q167-L171 WeakPolarHBondContact O-CD1 3.38Å; Q167-L171 WeakPolarHBondContact O-CG 3.37Å; Q167-L171 PolarHBondContact O-N 3.28Å; H168-L171 PolarHBondContact O-N 3.49Å; F169-L171 VanDerWaalsContact C-N 3.34Å; F169-L171 PolarHBondContact O-N 2.92Å; L171-V183 HydrophobicContact CD2-CG1 4.12Å
172Y91.5Very high80.7Confident53 Ų5346.4 Ų46.421%0.20825%0.249CC..Hα-helixtrans-126.5-7-167.4-47.6-62000114.7A40 A42 H168A40-Y172 WeakPolarHBondContact O-CE1 3.24Å; A40-Y172 PolarHBondContact O-OH 3.43Å; A42-Y172 HydrophobicContact CB-CD1 3.52Å; A42-Y172 HydrophobicContact CB-CD2 4.1Å; A42-Y172 HydrophobicContact CB-CE1 4Å; A42-Y172 HydrophobicContact CB-CG 3.56Å; A42-Y172 VanDerWaalsContact N-CE1 3.33Å; H168-Y172 AromaticContact CE1-CD2 3.83Å; H168-Y172 AromaticContact ND1-CD2 3.62Å; H168-Y172 WeakPolarHBondContact O-CD2 3.49Å; H168-Y172 PolarHBondContact O-N 3.08Å
173G87.4Confident80.4Confident7 Ų745.8 Ų45.87%0.07225%0.248CC..SBendtrans-74.1168.1175.900000113F169 T175F169-G173 WeakPolarHBondContact O-CA 3.36Å; F169-G173 PolarHBondContact O-N 3.19Å; G173-T175 PolarHBondContact O-N 3.35Å
174P79.2Confident80.1Confident108 Ų10845.6 Ų45.670%0.70125%0.248SC*.SBendtrans-66.2-27.1-178.727.5-34.5000112.5L176P174-L176 VanDerWaalsContact C-N 3.28Å; P174-L176 PolarHBondContact O-N 3.49Å
175T64.4Low79.8Confident37 Ų3746.1 Ų46.123%0.22726%0.256CS..  trans-81.175.4176.9-42.70000109.4G173 C177 A368G173-T175 PolarHBondContact O-N 3.35Å; T175-C177 PolarHBondContact O-N 3.37Å; T175-A368 HydrophobicContact CG2-CB 4.09Å
176L51.6Low79.7Confident121 Ų12146 Ų4663%0.63426%0.255SS*.  trans-64.991.8165-76.3164000107.6P174 N178P174-L176 VanDerWaalsContact C-N 3.28Å; P174-L176 PolarHBondContact O-N 3.49Å; L176-N178 PolarHBondContact O-N 3.29Å
177C53.5Low79.8Confident32 Ų3245 Ų4522%0.21625%0.249CC..  trans-64.590.4160-62.50000105.2T175 V179 Y379T175-C177 PolarHBondContact O-N 3.37Å; C177-V179 HydrophobicContact CB-CG2 4.47Å; C177-V179 PolarHBondContact O-N 3.45Å; C177-Y379 WeakPolarHBondContact SG-CE1 3.37Å
178N49.9Very low79.9Confident131 Ų13145.9 Ų45.970%0.70126%0.257SS*.  trans-76.950.5-174.1-145.810.9000110L176 Q180L176-N178 PolarHBondContact O-N 3.29Å; N178-Q180 VanDerWaalsContact C-N 3.35Å; N178-Q180 PolarHBondContact O-N 2.99Å; N178-Q180 VanDerWaalsContact O-N 3.1Å
179V58.5Low79.8Confident15 Ų1550.4 Ų50.49%0.09128%0.281CS..  trans-76.895.6168.9-165.80000105.4C177 S181 H182 R376C177-V179 HydrophobicContact CB-CG2 4.47Å; C177-V179 PolarHBondContact O-N 3.45Å; V179-S181 PolarHBondContact O-N 3.42Å; V179-H182 HydrophobicContact CB-CB 4.17Å; V179-H182 HydrophobicContact CG1-CB 4.48Å; V179-H182 WeakPolarHBondContact CG1-ND1 3.23Å; V179-H182 PolarHBondContact O-N 2.83Å; V179-R376 HydrophobicContact CG1-CG 4.34Å; V179-R376 HydrophobicContact CG2-CG 4.11Å
180Q63.4Low79.9Confident174 Ų17449.2 Ų49.281%0.81328%0.276SS*.THydrogen-bonded Turntrans-51.7-22.1-168.9-71.6178.3-29.700115.2N178N178-Q180 VanDerWaalsContact C-N 3.35Å; N178-Q180 PolarHBondContact O-N 2.99Å; N178-Q180 VanDerWaalsContact O-N 3.1Å
181S78Confident80.2Confident56 Ų5647.9 Ų47.939%0.39227%0.27SS..THydrogen-bonded Turntrans-93.3-20.5178.661.90000114.6V179 P188V179-S181 PolarHBondContact O-N 3.42Å; S181-P188 WeakPolarHBondContact O-CD 3.3Å; S181-P188 WeakPolarHBondContact O-CG 3.49Å
182H86.5Confident80.6Confident32 Ų3246.2 Ų46.215%0.14826%0.262CS..  trans-83.9150.3-173.9-73.958.3000111.7V179 I186 D187 E380V179-H182 HydrophobicContact CB-CB 4.17Å; V179-H182 HydrophobicContact CG1-CB 4.48Å; V179-H182 WeakPolarHBondContact CG1-ND1 3.23Å; V179-H182 PolarHBondContact O-N 2.83Å; H182-I186 WeakPolarHBondContact CA-O 3.35Å; H182-D187 VanDerWaalsContact CE1-CG 3.45Å; H182-D187 IonicContact CE1-OD1 2.89Å; H182-D187 IonicContact CE1-OD2 2.9Å; H182-D187 PolarHBondContact CE1-OD2 3.46Å; H182-D187 WeakPolarHBondContact NE2-CB 3.33Å; H182-D187 IonicContact NE2-OD2 2.66Å; H182-E380 IonicContact CE1-OE1 3.19Å; H182-E380 IonicContact NE2-OE1 3.78Å; H182-E380 PolarHBondContact NE2-OE1 2.99Å; H182-E380 IonicContact NE2-OE2 2.85Å
183V89.1Confident80.9Confident14 Ų1443.7 Ų43.79%0.08525%0.252CS..BIsolated β-bridgetrans-116.493.1170.8-178.90000107.8L34 G37 E38 Q167 L171 G185 I186L34-V183 HydrophobicContact CD1-CB 3.58Å; L34-V183 HydrophobicContact CD1-CG1 4.15Å; L34-V183 HydrophobicContact CD1-CG2 3.43Å; L34-V183 VanDerWaalsContact CD1-CG2 3.43Å; G37-V183 VanDerWaalsContact CA-CG1 3.42Å; E38-V183 HydrophobicContact CG-CG1 4.28Å; E38-V183 HydrophobicContact CG-CG2 3.7Å; Q167-V183 PolarHBondContact NE2-O 3.09Å; Q167-V183 PolarHBondContact OE1-O 2.81Å; L171-V183 HydrophobicContact CD2-CG1 4.12Å; V183-G185 PolarHBondContact O-N 2.94Å; V183-I186 PolarHBondContact N-O 3.18Å; V183-I186 PolarHBondContact O-N 3.13Å
184G88.6Confident81.2Confident8 Ų845 Ų458%0.08226%0.256CS..THydrogen-bonded Turntrans62.9-123.5-170.200000110.4M170 I186M170-G184 WeakPolarHBondContact CE-O 3.21Å; G184-I186 VanDerWaalsContact C-N 3.32Å
185G89.3Confident82Confident18 Ų1840.1 Ų40.119%0.18622%0.224CC..THydrogen-bonded Turntrans-88.36.7178.200000114.8M170 V183 P276M170-G185 VanDerWaalsContact SD-CA 3.59Å; V183-G185 PolarHBondContact O-N 2.94Å; G185-P276 WeakPolarHBondContact O-CD 3.48Å
186I93.1Very high83.6Confident2 Ų238.3 Ų38.31%0.0121%0.213CC..BIsolated β-bridgetrans-105.6130.3-177-59.8170.3000109L30 L33 L34 H182 V183 G184 I275L30-I186 HydrophobicContact CD2-CD1 4.18Å; L30-I186 HydrophobicContact CD2-CG1 4.4Å; L33-I186 HydrophobicContact CB-CD1 3.4Å; L33-I186 VanDerWaalsContact CB-CD1 3.4Å; L33-I186 HydrophobicContact CD1-CD1 4.2Å; L33-I186 HydrophobicContact CG-CD1 4.44Å; L34-I186 HydrophobicContact CD1-CG2 4.47Å; H182-I186 WeakPolarHBondContact CA-O 3.35Å; V183-I186 PolarHBondContact N-O 3.18Å; V183-I186 PolarHBondContact O-N 3.13Å; G184-I186 VanDerWaalsContact C-N 3.32Å; I186-I275 HydrophobicContact CG1-CG1 4.08Å
187D93.4Very high85.8Confident21 Ų2132.6 Ų32.611%0.11218%0.183CC..EExtended strand (participates in β ladder)trans-100.5114169.3-168.9-5000109.1H182 D189 C190 C273 Y274 P276H182-D187 VanDerWaalsContact CE1-CG 3.45Å; H182-D187 IonicContact CE1-OD1 2.89Å; H182-D187 IonicContact CE1-OD2 2.9Å; H182-D187 PolarHBondContact CE1-OD2 3.46Å; H182-D187 WeakPolarHBondContact NE2-CB 3.33Å; H182-D187 IonicContact NE2-OD2 2.66Å; D187-D189 PolarHBondContact O-N 3.29Å; D187-D189 PolarHBondContact OD1-N 2.99Å; D187-C190 HydrophobicContact CB-CB 3.9Å; D187-C190 VanDerWaalsContact CG-N 3.32Å; D187-C190 VanDerWaalsContact OD2-CA 3.3Å; D187-C190 WeakPolarHBondContact OD2-CA 3.27Å; D187-C190 PolarHBondContact OD2-N 3.44Å; D187-C273 WeakPolarHBondContact O-CA 3.3Å; D187-Y274 PolarHBondContact N-O 3.2Å; D187-Y274 PolarHBondContact O-N 3.1Å; D187-P276 HydrophobicContact CB-CG 3.63Å
188P94.8Very high87.7Confident31 Ų3131.3 Ų31.320%0.20117%0.174CC..EExtended strand (participates in β ladder)trans-59.4-28.4172.4-22.134.2000113.1L34 S181 F272 C273L34-P188 HydrophobicContact CD1-CG 3.8Å; S181-P188 WeakPolarHBondContact O-CD 3.3Å; S181-P188 WeakPolarHBondContact O-CG 3.49Å; P188-F272 CarbonylContact O-C 3.58Å; P188-C273 WeakPolarHBondContact O-CA 3.34Å; P188-C273 PolarHBondContact O-N 3.32Å
189D93.5Very high89.8Confident95 Ų9525 Ų2551%0.50814%0.14SC..EExtended strand (participates in β ladder)trans-119.537.3-175.8-71.3-61.4000111.8D187 S191 T271D187-D189 PolarHBondContact O-N 3.29Å; D187-D189 PolarHBondContact OD1-N 2.99Å; D189-S191 PolarHBondContact O-N 3Å; D189-S191 VanDerWaalsContact O-N 3.12Å; D189-T271 HydrophobicContact CB-CG2 4.26Å; D189-T271 WeakPolarHBondContact O-CB 3.39Å; D189-T271 WeakPolarHBondContact O-CG2 3.42Å; D189-T271 PolarHBondContact OD1-OG1 3.32Å
190C94.4Very high91.7Very high0 Ų024.3 Ų24.30%014%0.136CC..EExtended strand (participates in β ladder)trans-53.1117179.8-1680000111.4D187 P192 I195 T271 F272D187-C190 HydrophobicContact CB-CB 3.9Å; D187-C190 VanDerWaalsContact CG-N 3.32Å; D187-C190 VanDerWaalsContact OD2-CA 3.3Å; D187-C190 WeakPolarHBondContact OD2-CA 3.27Å; D187-C190 PolarHBondContact OD2-N 3.44Å; C190-P192 VanDerWaalsContact O-CD 3.28Å; C190-P192 WeakPolarHBondContact O-CD 3.18Å; C190-I195 WeakPolarHBondContact SG-CD1 3.17Å; C190-T271 WeakPolarHBondContact O-CA 3.34Å; C190-F272 WeakPolarHBondContact CA-O 3.42Å; C190-F272 HydrophobicContact CB-CD1 4.4Å; C190-F272 HydrophobicContact CB-CE1 4.38Å; C190-F272 WeakPolarHBondContact CB-O 3.3Å; C190-F272 PolarHBondContact N-O 2.88Å; C190-F272 WeakPolarHBondContact O-CD1 3.47Å; C190-F272 PolarHBondContact O-N 3.21Å; C190-F272 VanDerWaalsContact O-N 3.15Å
191S95.1Very high93.2Very high15 Ų1516 Ų1611%0.10510%0.097CC..  trans-90.3108.4176.11730000111.1D189 V193 Q194 I195 D269D189-S191 PolarHBondContact O-N 3Å; D189-S191 VanDerWaalsContact O-N 3.12Å; S191-V193 VanDerWaalsContact C-N 3.26Å; S191-V193 PolarHBondContact O-N 2.96Å; S191-V193 VanDerWaalsContact OG-CG1 3.22Å; S191-V193 WeakPolarHBondContact OG-CG1 3.35Å; S191-Q194 PolarHBondContact O-N 3.09Å; S191-Q194 PolarHBondContact OG-N 2.72Å; S191-I195 WeakPolarHBondContact O-CG1 3.47Å; S191-I195 PolarHBondContact O-N 2.8Å; S191-I195 VanDerWaalsContact O-N 3.15Å; S191-D269 PolarHBondContact OG-OD1 2.9Å
192P97.3Very high93.7Very high0 Ų014 Ų140%08%0.081CC..Hα-helixtrans-64.8-29.1178.926.5-33.5000112.8C190 A196 I270 F272 L279 I311 I320C190-P192 VanDerWaalsContact O-CD 3.28Å; C190-P192 WeakPolarHBondContact O-CD 3.18Å; P192-A196 VanDerWaalsContact O-CB 3.28Å; P192-A196 WeakPolarHBondContact O-CB 3.23Å; P192-A196 PolarHBondContact O-N 3.5Å; P192-I270 VanDerWaalsContact CD-O 3.29Å; P192-I270 WeakPolarHBondContact CD-O 3.44Å; P192-I270 HydrophobicContact CG-CD1 3.8Å; P192-I270 HydrophobicContact CG-CG1 3.69Å; P192-F272 HydrophobicContact CB-CE1 4.28Å; P192-F272 HydrophobicContact CG-CE1 4.25Å; P192-L279 HydrophobicContact CB-CD2 4Å; P192-I311 HydrophobicContact CB-CD1 4.33Å; P192-I311 HydrophobicContact CB-CG2 4.12Å; P192-I311 HydrophobicContact CG-CG2 3.8Å; P192-I320 HydrophobicContact CB-CD1 4.07Å
193V97.3Very high94.1Very high0 Ų012.5 Ų12.50%07%0.074CC..Hα-helixtrans-70.4-42.2175.557.70000111.2S191 I195 A196 V197 I219 I221 I237 L253 V265 D269 I311S191-V193 VanDerWaalsContact C-N 3.26Å; S191-V193 PolarHBondContact O-N 2.96Å; S191-V193 VanDerWaalsContact OG-CG1 3.22Å; S191-V193 WeakPolarHBondContact OG-CG1 3.35Å; V193-I195 VanDerWaalsContact C-N 3.27Å; V193-I195 PolarHBondContact O-N 2.8Å; V193-A196 PolarHBondContact O-N 3.3Å; V193-V197 HydrophobicContact CG2-CG2 4.3Å; V193-V197 VanDerWaalsContact O-CG2 3.3Å; V193-V197 WeakPolarHBondContact O-CG2 3.42Å; V193-V197 PolarHBondContact O-N 3.27Å; V193-I219 HydrophobicContact CG2-CG2 4.31Å; V193-I221 HydrophobicContact CB-CD1 4.15Å; V193-I221 HydrophobicContact CB-CG1 4.11Å; V193-I221 HydrophobicContact CG2-CD1 3.77Å; V193-I221 HydrophobicContact CG2-CG1 4.28Å; V193-I237 HydrophobicContact CG1-CD1 3.98Å; V193-I237 HydrophobicContact CG2-CD1 4.44Å; V193-L253 HydrophobicContact CG1-CD2 4.33Å; V193-L253 HydrophobicContact CG2-CD1 4.16Å; V193-L253 HydrophobicContact CG2-CD2 4.49Å; V193-V265 HydrophobicContact CG2-CG1 3.69Å; V193-D269 WeakPolarHBondContact CG1-OD1 3.27Å; V193-I311 HydrophobicContact CB-CD1 4.03Å
194Q94.9Very high94.3Very high36 Ų3612.9 Ų12.917%0.1687%0.074CC..Hα-helixtrans-60.1-41.2175.5-17861.686.600111.4S191 N198 L253S191-Q194 PolarHBondContact O-N 3.09Å; S191-Q194 PolarHBondContact OG-N 2.72Å; Q194-N198 WeakPolarHBondContact O-CB 2.87Å; Q194-N198 PolarHBondContact O-N 3.01Å; Q194-L253 HydrophobicContact CB-CD2 3.82Å; Q194-L253 HydrophobicContact CG-CD2 4.35Å
195I95.4Very high94.5Very high4 Ų414.2 Ų14.22%0.0218%0.079CC..Hα-helixtrans-69.9-38.3178.1-58.6174.8000111.3C190 S191 V193 N198 A199 P276 L279 F280 L283 M377C190-I195 WeakPolarHBondContact SG-CD1 3.17Å; S191-I195 WeakPolarHBondContact O-CG1 3.47Å; S191-I195 PolarHBondContact O-N 2.8Å; S191-I195 VanDerWaalsContact O-N 3.15Å; V193-I195 VanDerWaalsContact C-N 3.27Å; V193-I195 PolarHBondContact O-N 2.8Å; I195-N198 PolarHBondContact O-N 3.49Å; I195-A199 VanDerWaalsContact O-CB 3.3Å; I195-A199 WeakPolarHBondContact O-CB 3.3Å; I195-A199 PolarHBondContact O-N 3.45Å; I195-P276 HydrophobicContact CD1-CB 3.95Å; I195-L279 HydrophobicContact CB-CD2 4.46Å; I195-L279 HydrophobicContact CB-CG 4.4Å; I195-L279 HydrophobicContact CD1-CB 4.18Å; I195-L279 HydrophobicContact CD1-CD2 3.82Å; I195-L279 HydrophobicContact CD1-CG 4.16Å; I195-L279 HydrophobicContact CG2-CB 4.36Å; I195-L279 HydrophobicContact CG2-CG 4.01Å; I195-F280 HydrophobicContact CG2-CB 3.78Å; I195-F280 HydrophobicContact CG2-CD2 4.33Å; I195-L283 HydrophobicContact CB-CD1 4.46Å; I195-L283 HydrophobicContact CG2-CD1 4.07Å; I195-M377 HydrophobicContact CB-CE 4.06Å; I195-M377 HydrophobicContact CD1-CE 4.41Å; I195-M377 HydrophobicContact CG1-CE 3.58Å; I195-M377 HydrophobicContact CG1-SD 4.23Å; I195-M377 HydrophobicContact CG2-CE 3.88Å
196A97.9Very high94.4Very high0 Ų014.3 Ų14.30%08%0.075CC..Hα-helixtrans-64.1-43.7174.800000112.5P192 V193 N198 A199 Y200 I219 L283 I309 I311P192-A196 VanDerWaalsContact O-CB 3.28Å; P192-A196 WeakPolarHBondContact O-CB 3.23Å; P192-A196 PolarHBondContact O-N 3.5Å; V193-A196 PolarHBondContact O-N 3.3Å; A196-N198 VanDerWaalsContact C-N 3.32Å; A196-N198 PolarHBondContact O-N 2.71Å; A196-A199 PolarHBondContact O-N 2.71Å; A196-Y200 VanDerWaalsContact O-CB 3.32Å; A196-Y200 WeakPolarHBondContact O-CB 3.2Å; A196-Y200 PolarHBondContact O-N 3.11Å; A196-I219 HydrophobicContact CB-CD1 4.11Å; A196-L283 HydrophobicContact CB-CD1 4Å; A196-I309 HydrophobicContact CB-CD1 4.34Å; A196-I311 HydrophobicContact CB-CD1 4.26Å
197V97Very high94.3Very high0 Ų014.5 Ų14.50%08%0.077CC..Hα-helixtrans-60.9-43.4175.2171.90000110.6V193 Y200 S201 I219 L253 Q257 L263 V265V193-V197 HydrophobicContact CG2-CG2 4.3Å; V193-V197 VanDerWaalsContact O-CG2 3.3Å; V193-V197 WeakPolarHBondContact O-CG2 3.42Å; V193-V197 PolarHBondContact O-N 3.27Å; V197-Y200 WeakPolarHBondContact O-CB 3.44Å; V197-Y200 PolarHBondContact O-N 2.63Å; V197-S201 WeakPolarHBondContact O-CB 3.29Å; V197-S201 PolarHBondContact O-N 3.41Å; V197-I219 HydrophobicContact CG2-CD1 3.93Å; V197-L253 WeakPolarHBondContact CG1-O 3.23Å; V197-Q257 HydrophobicContact CG1-CG 4.3Å; V197-L263 HydrophobicContact CG1-CD2 3.99Å; V197-L263 HydrophobicContact CG2-CD2 4.22Å; V197-V265 HydrophobicContact CG2-CG2 4.12Å
198N93.6Very high94.2Very high5 Ų516 Ų163%0.0278%0.084CC..Hα-helixtrans-64.5-48.5176.9-173.216.4000112.3Q194 I195 A196 Y200 S201 Y202 F280 M377Q194-N198 WeakPolarHBondContact O-CB 2.87Å; Q194-N198 PolarHBondContact O-N 3.01Å; I195-N198 PolarHBondContact O-N 3.49Å; A196-N198 VanDerWaalsContact C-N 3.32Å; A196-N198 PolarHBondContact O-N 2.71Å; N198-Y200 VanDerWaalsContact C-N 3.28Å; N198-Y200 PolarHBondContact O-N 3.02Å; N198-S201 WeakPolarHBondContact O-CB 3.4Å; N198-S201 PolarHBondContact O-N 3.29Å; N198-S201 VanDerWaalsContact O-N 3.13Å; N198-Y202 WeakPolarHBondContact O-CD2 3.5Å; N198-Y202 PolarHBondContact O-N 3.17Å; N198-Y202 VanDerWaalsContact O-N 3.08Å; N198-Y202 WeakPolarHBondContact OD1-CD2 3.42Å; N198-Y202 WeakPolarHBondContact OD1-CE2 3.29Å; N198-F280 HydrophobicContact CB-CE2 4.46Å; N198-M377 HydrophobicContact CB-CE 4.35Å; N198-M377 HydrophobicContact CB-CG 4.33Å; N198-M377 WeakPolarHBondContact ND2-CE 3.21Å; N198-M377 WeakPolarHBondContact ND2-CG 3.39Å
199A95.1Very high93.9Very high0 Ų018.4 Ų18.40%09%0.093CC..Hα-helixtrans-59.6-39.1176.600000112I195 A196 S203 F280 L283 L287I195-A199 VanDerWaalsContact O-CB 3.3Å; I195-A199 WeakPolarHBondContact O-CB 3.3Å; I195-A199 PolarHBondContact O-N 3.45Å; A196-A199 PolarHBondContact O-N 2.71Å; A199-S203 VanDerWaalsContact O-CB 3.24Å; A199-S203 WeakPolarHBondContact O-CB 3.28Å; A199-S203 PolarHBondContact O-N 2.59Å; A199-S203 PolarHBondContact O-OG 2.96Å; A199-F280 HydrophobicContact CB-CD2 4.18Å; A199-F280 HydrophobicContact CB-CE2 4.17Å; A199-L283 HydrophobicContact CB-CB 3.71Å; A199-L287 HydrophobicContact CB-CD1 3.9Å
200Y97.2Very high93.5Very high0 Ų015.7 Ų15.70%08%0.084CC..Hα-helixtrans-60.4-49.5172.6173.1-99.7000111.3A196 V197 N198 Y202 S203 R204 P215 C217 A261 D262 L263 M291A196-Y200 VanDerWaalsContact O-CB 3.32Å; A196-Y200 WeakPolarHBondContact O-CB 3.2Å; A196-Y200 PolarHBondContact O-N 3.11Å; V197-Y200 WeakPolarHBondContact O-CB 3.44Å; V197-Y200 PolarHBondContact O-N 2.63Å; N198-Y200 VanDerWaalsContact C-N 3.28Å; N198-Y200 PolarHBondContact O-N 3.02Å; Y200-Y202 PolarHBondContact O-N 3.4Å; Y200-S203 PolarHBondContact O-N 2.82Å; Y200-S203 VanDerWaalsContact O-N 3.16Å; Y200-R204 VanDerWaalsContact O-CB 3.24Å; Y200-R204 WeakPolarHBondContact O-CB 3.28Å; Y200-R204 PolarHBondContact O-N 3.13Å; Y200-R204 WeakPolarHBondContact OH-CD 3.4Å; Y200-P215 PolarHBondContact OH-O 3.25Å; Y200-C217 HydrophobicContact CD2-CB 3.43Å; Y200-C217 VanDerWaalsContact CD2-CB 3.43Å; Y200-C217 HydrophobicContact CE2-CB 3.18Å; Y200-C217 HydrophobicContact CG-CB 4.32Å; Y200-A261 PolarHBondContact OH-O 3.05Å; Y200-D262 PolarHBondContact OH-O 2.79Å; Y200-L263 HydrophobicContact CD1-CB 4.42Å; Y200-L263 HydrophobicContact CD1-CD1 3.97Å; Y200-L263 HydrophobicContact CD1-CD2 4.19Å; Y200-L263 HydrophobicContact CD1-CG 4.43Å; Y200-L263 HydrophobicContact CE1-CB 3.87Å; Y200-L263 HydrophobicContact CE1-CD1 4.1Å; Y200-L263 HydrophobicContact CE1-CD2 4.44Å; Y200-L263 HydrophobicContact CE1-CG 4.36Å; Y200-L263 HydrophobicContact CG-CD1 4.3Å; Y200-M291 HydrophobicContact CD2-CE 3.3Å; Y200-M291 HydrophobicContact CE2-CE 3.38Å; Y200-M291 HydrophobicContact CG-CE 4.28Å
201S94.8Very high93.3Very high0 Ų019 Ų190%010%0.097CC..Hα-helixtrans-55.3-48.4-178.7-173.40000112.6V197 N198 L205 M258 N259V197-S201 WeakPolarHBondContact O-CB 3.29Å; V197-S201 PolarHBondContact O-N 3.41Å; N198-S201 WeakPolarHBondContact O-CB 3.4Å; N198-S201 PolarHBondContact O-N 3.29Å; N198-S201 VanDerWaalsContact O-N 3.13Å; S201-L205 PolarHBondContact O-N 3.29Å; S201-M258 PolarHBondContact OG-N 3.18Å; S201-N259 WeakPolarHBondContact CA-O 3.44Å; S201-N259 PolarHBondContact OG-N 2.87Å
202Y90.3Very high93.1Very high14 Ų1421.4 Ų21.46%0.05512%0.124CC..Hα-helixtrans-68-42.6175-80.9-73.9000113.3N198 Y200 R204 L205 L206 M258 F280 T378N198-Y202 WeakPolarHBondContact O-CD2 3.5Å; N198-Y202 PolarHBondContact O-N 3.17Å; N198-Y202 VanDerWaalsContact O-N 3.08Å; N198-Y202 WeakPolarHBondContact OD1-CD2 3.42Å; N198-Y202 WeakPolarHBondContact OD1-CE2 3.29Å; Y200-Y202 PolarHBondContact O-N 3.4Å; Y202-R204 VanDerWaalsContact C-N 3.32Å; Y202-R204 PolarHBondContact O-N 3.38Å; Y202-L205 PolarHBondContact O-N 3.4Å; Y202-L206 PolarHBondContact O-N 3.04Å; Y202-L206 VanDerWaalsContact O-N 3.16Å; Y202-M258 HydrophobicContact CD1-SD 3.4Å; Y202-M258 WeakPolarHBondContact CD1-SD 3.44Å; Y202-M258 HydrophobicContact CE1-CG 4.19Å; Y202-M258 HydrophobicContact CE1-SD 3.15Å; Y202-M258 WeakPolarHBondContact CE1-SD 2.78Å; Y202-M258 HydrophobicContact CG-SD 4.31Å; Y202-F280 AromaticContact CD2-CE2 3.89Å; Y202-F280 HydrophobicContact CD2-CE2 3.89Å; Y202-F280 AromaticContact CD2-CZ 3.82Å; Y202-F280 HydrophobicContact CD2-CZ 3.82Å; Y202-F280 HydrophobicContact CE2-CE2 4.44Å; Y202-F280 HydrophobicContact CE2-CZ 4.4Å; Y202-F280 HydrophobicContact CG-CZ 4.33Å; Y202-T378 WeakPolarHBondContact OH-CG2 3.22Å
203S93.5Very high92.9Very high0 Ų025.5 Ų25.50%014%0.14CC..Hα-helixtrans-65.5-39.2-178.3-590000111.3A199 Y200 L206 C207 Y284 L287A199-S203 VanDerWaalsContact O-CB 3.24Å; A199-S203 WeakPolarHBondContact O-CB 3.28Å; A199-S203 PolarHBondContact O-N 2.59Å; A199-S203 PolarHBondContact O-OG 2.96Å; Y200-S203 PolarHBondContact O-N 2.82Å; Y200-S203 VanDerWaalsContact O-N 3.16Å; S203-L206 PolarHBondContact O-N 2.96Å; S203-C207 WeakPolarHBondContact O-CB 3.34Å; S203-C207 PolarHBondContact O-N 3.24Å; S203-Y284 VanDerWaalsContact OG-CD2 3.23Å; S203-Y284 WeakPolarHBondContact OG-CD2 3.44Å; S203-Y284 PolarHBondContact OG-O 3.13Å; S203-L287 WeakPolarHBondContact OG-CB 3.43Å
204R94.7Very high92.8Very high21 Ų2125.9 Ų25.98%0.07914%0.143CC..Hα-helixtrans-62-47.7178.3176.9167.7-173.470.4-0.8111.1Y200 Y202 L206 C207 I208 A214 P215 N259 A261 M291Y200-R204 VanDerWaalsContact O-CB 3.24Å; Y200-R204 WeakPolarHBondContact O-CB 3.28Å; Y200-R204 PolarHBondContact O-N 3.13Å; Y200-R204 WeakPolarHBondContact OH-CD 3.4Å; Y202-R204 VanDerWaalsContact C-N 3.32Å; Y202-R204 PolarHBondContact O-N 3.38Å; R204-L206 VanDerWaalsContact C-N 3.34Å; R204-L206 PolarHBondContact O-N 3.26Å; R204-C207 PolarHBondContact O-N 3.19Å; R204-I208 HydrophobicContact CG-CD1 3.85Å; R204-I208 HydrophobicContact CG-CG1 4.44Å; R204-I208 WeakPolarHBondContact O-CG1 3.25Å; R204-I208 PolarHBondContact O-N 3.02Å; R204-A214 HydrophobicContact CG-CB 4.07Å; R204-A214 VanDerWaalsContact NH1-C 3.33Å; R204-A214 VanDerWaalsContact NH1-CB 3.3Å; R204-A214 PolarHBondContact NH1-O 3.5Å; R204-P215 PolarHBondContact NH1-O 3.45Å; R204-P215 VanDerWaalsContact NH1-O 3.15Å; R204-N259 WeakPolarHBondContact CD-OD1 3.42Å; R204-N259 PolarHBondContact NE-OD1 3.06Å; R204-A261 WeakPolarHBondContact CD-O 3.1Å; R204-A261 PolarHBondContact NE-O 3.16Å; R204-M291 HydrophobicContact CB-CE 4.04Å; R204-M291 HydrophobicContact CB-SD 4.35Å; R204-M291 PolarHBondContact N-SD 2.83Å; R204-M291 VanDerWaalsContact N-SD 3.43Å
205L91.4Very high93Very high36 Ų3624.2 Ų24.219%0.18814%0.135CC..Hα-helixtrans-59.2-46.8177.8-178.162.3000111.4S201 Y202 C207 I208 Q209 M258 F358S201-L205 PolarHBondContact O-N 3.29Å; Y202-L205 PolarHBondContact O-N 3.4Å; L205-C207 VanDerWaalsContact C-N 3.33Å; L205-C207 PolarHBondContact O-N 2.82Å; L205-I208 PolarHBondContact O-N 2.83Å; L205-Q209 VanDerWaalsContact O-CG 3.28Å; L205-Q209 WeakPolarHBondContact O-CG 3.36Å; L205-Q209 PolarHBondContact O-N 3Å; L205-M258 HydrophobicContact CD2-CB 4.45Å; L205-M258 HydrophobicContact CD2-CE 3.27Å; L205-M258 HydrophobicContact CD2-SD 3.73Å; L205-F358 HydrophobicContact CD2-CE1 3.58Å; L205-F358 HydrophobicContact CD2-CZ 3.58Å; L205-F358 HydrophobicContact CG-CE1 4.5Å; L205-F358 HydrophobicContact CG-CZ 4.04Å
206L87.4Confident93.1Very high20 Ų2024 Ų2411%0.10513%0.134CC..Hα-helixtrans-60.9-41.9176.7179.162.1000111.9Y202 S203 R204 Q209 A210 Y284 K288Y202-L206 PolarHBondContact O-N 3.04Å; Y202-L206 VanDerWaalsContact O-N 3.16Å; S203-L206 PolarHBondContact O-N 2.96Å; R204-L206 VanDerWaalsContact C-N 3.34Å; R204-L206 PolarHBondContact O-N 3.26Å; L206-Q209 PolarHBondContact O-N 3.4Å; L206-A210 WeakPolarHBondContact O-CB 3.41Å; L206-A210 PolarHBondContact O-N 2.84Å; L206-Y284 WeakPolarHBondContact CD2-OH 3.18Å; L206-K288 HydrophobicContact CD2-CD 3.68Å; L206-K288 HydrophobicContact CD2-CG 3.87Å
207C91.6Very high93.2Very high6 Ų624 Ų244%0.04113%0.134CC..Hα-helixtrans-66.6-44.2179-175.90000112S203 R204 L205 Q209 A210 Y211 R213 A214 M291S203-C207 WeakPolarHBondContact O-CB 3.34Å; S203-C207 PolarHBondContact O-N 3.24Å; R204-C207 PolarHBondContact O-N 3.19Å; L205-C207 VanDerWaalsContact C-N 3.33Å; L205-C207 PolarHBondContact O-N 2.82Å; C207-Q209 VanDerWaalsContact C-N 3.31Å; C207-Q209 PolarHBondContact O-N 3.49Å; C207-A210 PolarHBondContact O-N 2.94Å; C207-A210 VanDerWaalsContact O-N 3.17Å; C207-Y211 WeakPolarHBondContact O-CD2 3.35Å; C207-Y211 PolarHBondContact O-N 2.75Å; C207-R213 PolarHBondContact SG-O 3.45Å; C207-A214 HydrophobicContact CB-CB 3.77Å; C207-M291 HydrophobicContact CB-CB 4.01Å; C207-M291 HydrophobicContact CB-SD 3.98Å
208I92Very high93.2Very high52 Ų5226.2 Ų26.227%0.26715%0.146SC..Hα-helixtrans-60.7-41.4174.9-69.6170000110.9R204 L205 A210 G212 A214R204-I208 HydrophobicContact CG-CD1 3.85Å; R204-I208 HydrophobicContact CG-CG1 4.44Å; R204-I208 WeakPolarHBondContact O-CG1 3.25Å; R204-I208 PolarHBondContact O-N 3.02Å; L205-I208 PolarHBondContact O-N 2.83Å; I208-A210 VanDerWaalsContact C-N 3.31Å; I208-A210 PolarHBondContact O-N 3.37Å; I208-G212 WeakPolarHBondContact O-CA 3.5Å; I208-G212 PolarHBondContact O-N 2.8Å; I208-A214 HydrophobicContact CD1-CB 4.48Å; I208-A214 HydrophobicContact CG1-CB 3.76Å
209Q86.7Confident93.5Very high82 Ų8226.1 Ų26.138%0.38315%0.145SC..Hα-helixtrans-63.9-37.3177-73.5173.8-18.200112.5L205 L206 C207 V355L205-Q209 VanDerWaalsContact O-CG 3.28Å; L205-Q209 WeakPolarHBondContact O-CG 3.36Å; L205-Q209 PolarHBondContact O-N 3Å; L206-Q209 PolarHBondContact O-N 3.4Å; C207-Q209 VanDerWaalsContact C-N 3.31Å; C207-Q209 PolarHBondContact O-N 3.49Å; Q209-V355 HydrophobicContact CB-CG1 4.23Å
210A85.9Confident93.6Very high39 Ų3929 Ų2932%0.32216%0.159SC..Hα-helixtrans-81.5-34.8-178.100000113.8L206 C207 I208 L351L206-A210 WeakPolarHBondContact O-CB 3.41Å; L206-A210 PolarHBondContact O-N 2.84Å; C207-A210 PolarHBondContact O-N 2.94Å; C207-A210 VanDerWaalsContact O-N 3.17Å; I208-A210 VanDerWaalsContact C-N 3.31Å; I208-A210 PolarHBondContact O-N 3.37Å; A210-L351 HydrophobicContact CB-CD2 3.83Å
211Y89.6Confident93.7Very high68 Ų6829.4 Ų29.427%0.26716%0.16SC..Hα-helixtrans-125.7-2-169-60.3-84.4000114.4C207 R213 R292 T295 E296C207-Y211 WeakPolarHBondContact O-CD2 3.35Å; C207-Y211 PolarHBondContact O-N 2.75Å; Y211-R213 PolarHBondContact O-N 3.49Å; Y211-R292 HydrophobicContact CE2-CB 4.26Å; Y211-R292 HydrophobicContact CE2-CG 4.42Å; Y211-R292 VanDerWaalsContact OH-CD 3.27Å; Y211-R292 WeakPolarHBondContact OH-CD 3.47Å; Y211-R292 VanDerWaalsContact OH-CG 3.23Å; Y211-R292 WeakPolarHBondContact OH-CG 3.5Å; Y211-R292 PolarHBondContact OH-NE 2.85Å; Y211-T295 VanDerWaalsContact CB-CG2 3.48Å; Y211-T295 HydrophobicContact CD1-CG2 4.05Å; Y211-T295 HydrophobicContact CG-CG2 3.78Å; Y211-E296 HydrophobicContact CE1-CG 3.66Å; Y211-E296 PolarHBondContact OH-OE1 3.42Å
212G91.1Very high93.7Very high66 Ų6635.1 Ų35.168%0.6818%0.183SC*.SBendtrans75.8-8.7-178.200000115.1I208I208-G212 WeakPolarHBondContact O-CA 3.5Å; I208-G212 PolarHBondContact O-N 2.8Å
213R93.6Very high93.8Very high87 Ų8735.6 Ų35.633%0.32819%0.187SC..  trans-153.2165.2179.162.4-174.8-55.2-174.67.9109.7C207 Y211 T295 D301 G302 L304C207-R213 PolarHBondContact SG-O 3.45Å; Y211-R213 PolarHBondContact O-N 3.49Å; R213-T295 HydrophobicContact CG-CG2 4Å; R213-D301 PolarHBondContact NH1-O 3.22Å; R213-G302 PolarHBondContact NH2-O 2.96Å; R213-G302 VanDerWaalsContact NH2-O 3.08Å; R213-L304 HydrophobicContact CG-CD1 4.01Å
214A96Very high93.8Very high8 Ų838.4 Ų38.47%0.06621%0.206CC..  trans-150.6148.217500000110.2R204 C207 I208R204-A214 HydrophobicContact CG-CB 4.07Å; R204-A214 VanDerWaalsContact NH1-C 3.33Å; R204-A214 VanDerWaalsContact NH1-CB 3.3Å; R204-A214 PolarHBondContact NH1-O 3.5Å; C207-A214 HydrophobicContact CB-CB 3.77Å; I208-A214 HydrophobicContact CD1-CB 4.48Å; I208-A214 HydrophobicContact CG1-CB 3.76Å
215P97.9Very high93.6Very high1 Ų139.8 Ų39.81%0.00622%0.216CC..  trans-67.7154.9178.429.7-35.5000112Y200 R204 M291 V294 L304 P305 I307Y200-P215 PolarHBondContact OH-O 3.25Å; R204-P215 PolarHBondContact NH1-O 3.45Å; R204-P215 VanDerWaalsContact NH1-O 3.15Å; P215-M291 HydrophobicContact CG-CB 4.18Å; P215-M291 HydrophobicContact CG-CG 3.88Å; P215-V294 HydrophobicContact CB-CB 4.46Å; P215-V294 HydrophobicContact CB-CG1 3.82Å; P215-V294 HydrophobicContact CG-CB 4.12Å; P215-V294 HydrophobicContact CG-CG1 4Å; P215-L304 HydrophobicContact CB-CB 4.01Å; P215-L304 HydrophobicContact CB-CD1 4.37Å; P215-P305 VanDerWaalsContact CB-O 3.31Å; P215-P305 WeakPolarHBondContact CB-O 3.25Å; P215-I307 HydrophobicContact CG-CD1 3.85Å; P215-I307 HydrophobicContact CG-CG1 4.19Å
216G98.3Very high93.2Very high0 Ų041.3 Ų41.30%022%0.224CC..  trans-71.5170.9167.300000112.9D262 R306 I307G216-D262 CarbonylContact C-O 3.47Å; G216-D262 WeakPolarHBondContact CA-O 3.07Å; G216-D262 WeakPolarHBondContact CA-OD2 3.38Å; G216-D262 PolarHBondContact N-OD2 3.31Å; G216-R306 WeakPolarHBondContact O-CA 3.35Å; G216-I307 PolarHBondContact O-N 2.81Å
217C98.8Very high92.4Very high0 Ų047.9 Ų47.90%025%0.252CS..EExtended strand (participates in β ladder)trans-140.4137.3178.7-175.90000113.2Y200 D262 L263 S264 R306 I307Y200-C217 HydrophobicContact CD2-CB 3.43Å; Y200-C217 VanDerWaalsContact CD2-CB 3.43Å; Y200-C217 HydrophobicContact CE2-CB 3.18Å; Y200-C217 HydrophobicContact CG-CB 4.32Å; C217-D262 PolarHBondContact N-O 3.29Å; C217-L263 HydrophobicContact CB-CD1 4.08Å; C217-L263 CarbonylContact O-C 3.4Å; C217-L263 WeakPolarHBondContact O-CA 3.19Å; C217-S264 PolarHBondContact O-N 3.39Å; C217-R306 VanDerWaalsContact C-NH2 3.33Å; C217-R306 PolarHBondContact O-NH2 3.33Å; C217-I307 CarbonylContact C-O 3.58Å; C217-I307 WeakPolarHBondContact CA-O 3.49Å; C217-I307 PolarHBondContact SG-O 2.87Å; C217-I307 VanDerWaalsContact SG-O 3.34Å
218D98.7Very high90.9Very high46 Ų4656.6 Ų56.625%0.24629%0.292CS..EExtended strand (participates in β ladder)trans-111.6122.8173.1-58.8-42.4000109.2S264 R306 I307 H308 I309D218-S264 CarbonylContact C-O 3.5Å; D218-S264 WeakPolarHBondContact CA-O 3.4Å; D218-S264 VanDerWaalsContact OD1-CB 3.22Å; D218-S264 WeakPolarHBondContact OD1-CB 3.3Å; D218-R306 IonicContact OD1-CZ 3.09Å; D218-R306 IonicContact OD1-NE 2.64Å; D218-R306 PolarHBondContact OD1-NE 2.85Å; D218-R306 IonicContact OD1-NH2 3.62Å; D218-R306 PolarHBondContact OD1-NH2 3.32Å; D218-R306 WeakPolarHBondContact OD2-CD 3.03Å; D218-R306 IonicContact OD2-CZ 3.94Å; D218-R306 IonicContact OD2-NE 2.72Å; D218-R306 PolarHBondContact OD2-NE 3.33Å; D218-I307 PolarHBondContact N-O 3Å; D218-H308 CarbonylContact O-C 3.47Å; D218-H308 WeakPolarHBondContact O-CA 3.43Å; D218-H308 PolarHBondContact O-CD2 3.26Å; D218-I309 PolarHBondContact O-N 3.2Å
219I98.7Very high89Confident2 Ų263.6 Ų63.61%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-111.8117.8178.5-49.5-175.3000109.2V193 A196 V197 I221 L263 S264 V265 K266 I309 I311V193-I219 HydrophobicContact CG2-CG2 4.31Å; A196-I219 HydrophobicContact CB-CD1 4.11Å; V197-I219 HydrophobicContact CG2-CD1 3.93Å; I219-I221 HydrophobicContact CG2-CD1 4.05Å; I219-I221 HydrophobicContact CG2-CG1 4.48Å; I219-L263 HydrophobicContact CD1-CD1 3.93Å; I219-L263 HydrophobicContact CG1-CD1 4.05Å; I219-S264 PolarHBondContact N-O 3.08Å; I219-V265 HydrophobicContact CB-CG1 4.25Å; I219-V265 HydrophobicContact CB-CG2 4.21Å; I219-V265 HydrophobicContact CD1-CG2 4.28Å; I219-V265 HydrophobicContact CG1-CG2 4.41Å; I219-V265 CarbonylContact O-C 3.54Å; I219-V265 WeakPolarHBondContact O-CA 3.44Å; I219-K266 PolarHBondContact O-N 2.82Å; I219-I309 CarbonylContact C-O 3.55Å; I219-I309 VanDerWaalsContact CA-O 3.3Å; I219-I309 WeakPolarHBondContact CA-O 3.3Å; I219-I309 HydrophobicContact CB-CB 4.45Å; I219-I309 HydrophobicContact CD1-CD1 4.12Å; I219-I309 HydrophobicContact CG1-CB 4.14Å; I219-I309 HydrophobicContact CG1-CD1 4.08Å; I219-I309 HydrophobicContact CG1-CG1 4.39Å; I219-I309 HydrophobicContact CG2-CB 4.24Å; I219-I309 HydrophobicContact CG2-CG2 4.36Å; I219-I311 HydrophobicContact CG2-CD1 4.01Å; I219-I311 HydrophobicContact CG2-CG1 4.47Å
220E98.3Very high87.2Confident61 Ų6164 Ų6429%0.28533%0.333SS..EExtended strand (participates in β ladder)trans-113.4131.7175.8-62.6-169.716000111.1Y222 K266 H308 I309 L310 I311E220-Y222 HydrophobicContact CB-CD2 4.42Å; E220-Y222 HydrophobicContact CB-CE2 3.8Å; E220-Y222 PolarHBondContact OE2-OH 2.87Å; E220-K266 CarbonylContact C-O 3.5Å; E220-K266 VanDerWaalsContact CA-O 3.3Å; E220-K266 WeakPolarHBondContact CA-O 3.43Å; E220-H308 IonicContact OE2-NE2 3.73Å; E220-I309 PolarHBondContact N-O 2.91Å; E220-L310 HydrophobicContact CB-CD1 4.3Å; E220-L310 WeakPolarHBondContact O-CA 3.21Å; E220-I311 PolarHBondContact O-N 3.23Å
221I97.7Very high85.5Confident8 Ų868.4 Ų68.44%0.04136%0.361CS..EExtended strand (participates in β ladder)trans-116.6126-179.2-50.590.3000111V193 I219 V265 K266 G267 K268 I270 I311V193-I221 HydrophobicContact CB-CD1 4.15Å; V193-I221 HydrophobicContact CB-CG1 4.11Å; V193-I221 HydrophobicContact CG2-CD1 3.77Å; V193-I221 HydrophobicContact CG2-CG1 4.28Å; I219-I221 HydrophobicContact CG2-CD1 4.05Å; I219-I221 HydrophobicContact CG2-CG1 4.48Å; I221-V265 HydrophobicContact CD1-CG1 3.78Å; I221-K266 WeakPolarHBondContact CD1-O 3.3Å; I221-K266 PolarHBondContact N-O 2.88Å; I221-G267 WeakPolarHBondContact O-CA 3.43Å; I221-K268 WeakPolarHBondContact CG2-O 3.23Å; I221-I270 HydrophobicContact CG2-CD1 4.29Å; I221-I270 HydrophobicContact CG2-CG1 4.12Å; I221-I270 HydrophobicContact CG2-CG2 4.13Å; I221-I311 CarbonylContact C-O 3.52Å; I221-I311 WeakPolarHBondContact CA-O 3.42Å; I221-I311 HydrophobicContact CG1-CB 4.13Å; I221-I311 HydrophobicContact CG1-CD1 4.24Å; I221-I311 HydrophobicContact CG2-CB 4.25Å; I221-I311 HydrophobicContact CG2-CG2 4.27Å
222Y95.1Very high83.7Confident120 Ų12067.2 Ų67.247%0.47137%0.37SS..EExtended strand (participates in β ladder)trans-119.8120.1179.5-70.1-97.8000111.3E220 L310 I311 C312 N313E220-Y222 HydrophobicContact CB-CD2 4.42Å; E220-Y222 HydrophobicContact CB-CE2 3.8Å; E220-Y222 PolarHBondContact OE2-OH 2.87Å; Y222-L310 HydrophobicContact CD2-CD1 3.2Å; Y222-L310 HydrophobicContact CE2-CD1 3.3Å; Y222-L310 HydrophobicContact CG-CD1 4.34Å; Y222-I311 PolarHBondContact N-O 3.09Å; Y222-C312 WeakPolarHBondContact O-CA 3.37Å; Y222-N313 PolarHBondContact O-N 3.02Å
223D93.8Very high82.3Confident25 Ų2568.8 Ų68.813%0.13437%0.37CS..EExtended strand (participates in β ladder)trans-99.295.1176.1-170.9-4.1000110.5V225 N226 K268 I270 N313D223-V225 VanDerWaalsContact C-N 3.28Å; D223-V225 PolarHBondContact OD1-N 3.03Å; D223-N226 PolarHBondContact OD1-N 3.22Å; D223-N226 WeakPolarHBondContact OD2-CB 3.38Å; D223-N226 PolarHBondContact OD2-ND2 3.05Å; D223-K268 HydrophobicContact CB-CD 4.39Å; D223-K268 IonicContact OD2-NZ 2.9Å; D223-K268 PolarHBondContact OD2-NZ 2.94Å; D223-I270 HydrophobicContact CB-CG2 4Å; D223-N313 PolarHBondContact OD1-ND2 3.3Å
224C92.3Very high80.9Confident59 Ų5973.9 Ų73.940%0.39940%0.395SS..SBendtrans-79.7-12.6179.3-63.20000113.1K227 C312 N313C224-K227 WeakPolarHBondContact O-CE 3.46Å; C224-C312 VanDerWaalsContact SG-SG 3.65Å; C224-N313 WeakPolarHBondContact CA-O 3.41Å; C224-N313 VanDerWaalsContact CB-O 3.27Å; C224-N313 WeakPolarHBondContact CB-O 3.34Å; C224-N313 PolarHBondContact N-O 3.35Å
225V90.7Very high80Confident49 Ų4977.4 Ų77.430%0.29741%0.413SS..SBendtrans-90.6-51.3-177.4179.90000111.1D223 K227 G314D223-V225 VanDerWaalsContact C-N 3.28Å; D223-V225 PolarHBondContact OD1-N 3.03Å; V225-K227 PolarHBondContact O-N 3.47Å; V225-G314 WeakPolarHBondContact CG2-O 3.13Å
226N82.9Confident79.5Confident68 Ų6884.2 Ų84.236%0.36444%0.443SS..  trans-100.561.6-177.9-50.8-67.2000111.7D223 E228D223-N226 PolarHBondContact OD1-N 3.22Å; D223-N226 WeakPolarHBondContact OD2-CB 3.38Å; D223-N226 PolarHBondContact OD2-ND2 3.05Å; N226-E228 PolarHBondContact O-N 2.95Å
227K71.7Confident79.2Confident158 Ų15884.7 Ų84.769%0.68745%0.445SS*.THydrogen-bonded Turntrans-62.3-29.1178.6-64.8-176.4-178.71790113.2C224 V225C224-K227 WeakPolarHBondContact O-CE 3.46Å; V225-K227 PolarHBondContact O-N 3.47Å
228E59.8Low79Confident189 Ų18988.9 Ų88.988%0.88347%0.467SS*.THydrogen-bonded Turntrans-97.3-6.5-166.7-63.3-168.216500116N226 A230N226-E228 PolarHBondContact O-N 2.95Å; E228-A230 PolarHBondContact O-N 3.17Å; E228-A230 VanDerWaalsContact O-N 3.12Å
229R51.8Low78.8Confident199 Ų19987 Ų8775%0.75146%0.457SS*.  trans-81.118.6176.5-73.5-172.1179.4-177.11.4114.1S231 G232R229-S231 PolarHBondContact O-N 3.17Å; R229-G232 PolarHBondContact O-N 2.93Å
230A48.6Very low78.7Confident91 Ų9189.6 Ų89.675%0.75248%0.475SS*.THydrogen-bonded Turntrans-68.6-1.7-170.300000116E228E228-A230 PolarHBondContact O-N 3.17Å; E228-A230 VanDerWaalsContact O-N 3.12Å
231S49.2Very low78.7Confident131 Ų13186.9 Ų86.992%0.91646%0.462SS*.THydrogen-bonded Turntrans-84.9-14.8176.480.60000114.1R229R229-S231 PolarHBondContact O-N 3.17Å
232G53Low78.6Confident43 Ų4389.8 Ų89.844%0.44348%0.478SS..  trans-95.3116.417800000112.4R229 F234R229-G232 PolarHBondContact O-N 2.93Å; G232-F234 PolarHBondContact O-N 2.96Å
233S62.3Low78.5Confident100 Ų10087.6 Ų87.670%0.69949%0.485SS*.G310 helixtrans-61.5-9.2173.2-172.70000114.4N235 K236S233-N235 PolarHBondContact O-N 3.34Å; S233-K236 PolarHBondContact O-N 2.95Å
234F63.7Low78.4Confident194 Ų19490 Ų9085%0.85151%0.508SS*.G310 helixtrans-63.7-16.4-162.3-82-81.3000116.3G232G232-F234 PolarHBondContact O-N 2.96Å
235N76.6Confident78.4Confident82 Ų8289.2 Ų89.244%0.43951%0.51SS..G310 helixtrans-127.58.2179.2-66.419.3000113.6S233 I237 K268 D269S233-N235 PolarHBondContact O-N 3.34Å; N235-I237 PolarHBondContact O-N 3.32Å; N235-K268 HydrophobicContact CB-CG 3.82Å; N235-K268 CarbonylContact O-C 3.24Å; N235-K268 VanDerWaalsContact O-CA 3.32Å; N235-K268 WeakPolarHBondContact O-CA 3.44Å; N235-D269 PolarHBondContact O-N 3.12Å
236K87.8Confident78.6Confident144 Ų14493 Ų9363%0.62652%0.524SS*.EExtended strand (participates in β ladder)trans-73.4122.5-180-172.9-177.5176.3-167.60108.9S233 D238S233-K236 PolarHBondContact O-N 2.95Å; K236-D238 IonicContact NZ-OD2 3.92Å
237I91.5Very high79.1Confident9 Ų992 Ų925%0.04653%0.525CS..EExtended strand (participates in β ladder)trans-104.6126.3173.3-57.3159.8000107.5V193 N235 F239 L253 V265 K266 G267 D269V193-I237 HydrophobicContact CG1-CD1 3.98Å; V193-I237 HydrophobicContact CG2-CD1 4.44Å; N235-I237 PolarHBondContact O-N 3.32Å; I237-F239 HydrophobicContact CG2-CD1 3.66Å; I237-F239 HydrophobicContact CG2-CE1 3.67Å; I237-L253 HydrophobicContact CD1-CD1 3.69Å; I237-L253 HydrophobicContact CG1-CD1 4.12Å; I237-L253 HydrophobicContact CG2-CD1 3.77Å; I237-V265 HydrophobicContact CB-CG1 4.48Å; I237-V265 HydrophobicContact CG2-CB 4Å; I237-V265 HydrophobicContact CG2-CG1 3.6Å; I237-K266 CarbonylContact O-C 3.56Å; I237-K266 WeakPolarHBondContact O-CA 3.43Å; I237-G267 PolarHBondContact N-O 3.41Å; I237-G267 PolarHBondContact O-N 3.14Å; I237-D269 HydrophobicContact CD1-CB 3.66Å; I237-D269 HydrophobicContact CG1-CB 4.4Å
238D94.2Very high80.2Confident89 Ų8988.6 Ų88.648%0.47652%0.522SS..EExtended strand (participates in β ladder)trans-154.793.3175.3-160.4-14.2000108.3K236 V265K236-D238 IonicContact NZ-OD2 3.92Å; D238-V265 WeakPolarHBondContact CA-O 3.28Å
239F95.3Very high81.8Confident5 Ų583.2 Ų83.22%0.02250%0.501CS..EExtended strand (participates in β ladder)trans-148157.3175.874.6-93.4000111.8I237 V241 T249 S251 L253 L254 L263 V265I237-F239 HydrophobicContact CG2-CD1 3.66Å; I237-F239 HydrophobicContact CG2-CE1 3.67Å; F239-V241 HydrophobicContact CD2-CG2 4.01Å; F239-V241 HydrophobicContact CE2-CG2 3.9Å; F239-T249 HydrophobicContact CB-CG2 3.54Å; F239-S251 WeakPolarHBondContact CD1-OG 3.32Å; F239-S251 VanDerWaalsContact CE1-OG 3.3Å; F239-S251 WeakPolarHBondContact CE1-OG 3.2Å; F239-L253 HydrophobicContact CE1-CB 4.18Å; F239-L253 HydrophobicContact CE1-CD1 3.74Å; F239-L253 HydrophobicContact CZ-CB 4.24Å; F239-L253 HydrophobicContact CZ-CD1 4.38Å; F239-L254 HydrophobicContact CD2-CD1 4.02Å; F239-L254 HydrophobicContact CD2-CG 4.48Å; F239-L254 HydrophobicContact CE2-CD1 3.86Å; F239-L254 HydrophobicContact CE2-CD2 3.68Å; F239-L254 HydrophobicContact CE2-CG 3.87Å; F239-L254 HydrophobicContact CZ-CD1 4.46Å; F239-L254 HydrophobicContact CZ-CD2 3.97Å; F239-L254 HydrophobicContact CZ-CG 4.06Å; F239-L263 HydrophobicContact CE2-CD2 4.42Å; F239-V265 HydrophobicContact CD1-CB 4.18Å; F239-V265 HydrophobicContact CE1-CB 3.61Å; F239-V265 HydrophobicContact CE1-CG1 4.3Å; F239-V265 HydrophobicContact CE1-CG2 3.81Å; F239-V265 HydrophobicContact CE2-CB 4.39Å; F239-V265 HydrophobicContact CE2-CG2 3.98Å; F239-V265 HydrophobicContact CZ-CB 3.75Å; F239-V265 HydrophobicContact CZ-CG2 3.39Å; F239-V265 PolarHBondContact N-O 3.27Å; F239-V265 PolarHBondContact O-N 3.2Å
240C96.7Very high83.5Confident58 Ų5883.5 Ų83.539%0.39251%0.508SS..EExtended strand (participates in β ladder)trans-132.1138.8172.7-179.20000108.8A247 S248 L263C240-A247 CarbonylContact O-C 3.57Å; C240-A247 WeakPolarHBondContact O-CA 3.46Å; C240-S248 PolarHBondContact N-OG 2.65Å; C240-S248 WeakPolarHBondContact O-CB 3.27Å; C240-S248 PolarHBondContact O-N 2.88Å; C240-S248 PolarHBondContact O-OG 3.07Å; C240-L263 CarbonylContact C-O 3.6Å; C240-L263 WeakPolarHBondContact CA-O 3.49Å
241V97.6Very high85.5Confident4 Ų480.1 Ų80.12%0.02448%0.479CS..EExtended strand (participates in β ladder)trans-109.4120.3170.3-172.20000106.9F239 G245 H246 A247 L254 C260 D262 L263F239-V241 HydrophobicContact CD2-CG2 4.01Å; F239-V241 HydrophobicContact CE2-CG2 3.9Å; V241-G245 VanDerWaalsContact CG1-C 3.5Å; V241-H246 WeakPolarHBondContact CA-O 3.33Å; V241-A247 HydrophobicContact CG2-CB 4.12Å; V241-L254 HydrophobicContact CG2-CD1 3.72Å; V241-L254 HydrophobicContact CG2-CD2 3.82Å; V241-L254 HydrophobicContact CG2-CG 4.44Å; V241-C260 VanDerWaalsContact CB-O 3.28Å; V241-C260 WeakPolarHBondContact CB-O 3.34Å; V241-C260 WeakPolarHBondContact CG1-O 3.47Å; V241-D262 CarbonylContact O-C 3.56Å; V241-D262 WeakPolarHBondContact O-CA 3.42Å; V241-D262 PolarHBondContact O-N 3.37Å; V241-D262 VanDerWaalsContact O-N 3.09Å; V241-L263 HydrophobicContact CB-CB 4.47Å; V241-L263 PolarHBondContact N-O 3.44Å; V241-L263 PolarHBondContact O-N 3.47Å; V241-L263 VanDerWaalsContact O-N 3.11Å
242D95.7Very high87.4Confident68 Ų6879 Ų7936%0.36446%0.455SS..  trans-68.6173.2179.972.917000112.3A244 G245 H246 D262D242-A244 PolarHBondContact O-N 3.09Å; D242-A244 VanDerWaalsContact O-N 3.16Å; D242-A244 VanDerWaalsContact OD1-C 3.3Å; D242-A244 VanDerWaalsContact OD1-CA 3.3Å; D242-A244 WeakPolarHBondContact OD1-CA 3.45Å; D242-A244 WeakPolarHBondContact OD1-CB 3.17Å; D242-A244 PolarHBondContact OD1-N 3.06Å; D242-G245 PolarHBondContact O-N 3.26Å; D242-G245 PolarHBondContact OD1-N 3.14Å; D242-H246 PolarHBondContact N-O 3.02Å; D242-H246 IonicContact OD1-CG 2.74Å; D242-H246 PolarHBondContact OD1-N 3.34Å; D242-H246 IonicContact OD1-ND1 3.37Å; D242-H246 PolarHBondContact OD1-ND1 2.64Å; D242-H246 IonicContact OD2-CG 3.59Å; D242-H246 IonicContact OD2-ND1 3.9Å; D242-H246 PolarHBondContact OD2-ND1 2.84Å; D242-D262 PolarHBondContact O-N 3.43Å
243A92.8Very high89.2Confident74 Ų7476.9 Ų76.961%0.61243%0.434SS*.THydrogen-bonded Turntrans-63.7-17.8179.300000113.9
244A92.7Very high90.5Very high77 Ų7773.9 Ų73.964%0.63641%0.41SS*.THydrogen-bonded Turntrans-90.2-4.9175.400000112.8D242D242-A244 PolarHBondContact O-N 3.09Å; D242-A244 VanDerWaalsContact O-N 3.16Å; D242-A244 VanDerWaalsContact OD1-C 3.3Å; D242-A244 VanDerWaalsContact OD1-CA 3.3Å; D242-A244 WeakPolarHBondContact OD1-CA 3.45Å; D242-A244 WeakPolarHBondContact OD1-CB 3.17Å; D242-A244 PolarHBondContact OD1-N 3.06Å
245G92.5Very high91.6Very high41 Ų4169.4 Ų69.442%0.42340%0.395SS..SBendtrans92.58.4178.700000114.6V241 D242V241-G245 VanDerWaalsContact CG1-C 3.5Å; D242-G245 PolarHBondContact O-N 3.26Å; D242-G245 PolarHBondContact OD1-N 3.14Å
246H93.6Very high91.7Very high128 Ų12869.9 Ų69.959%0.59340%0.397SS*.  trans-84.1121.9177-49.6100.8000110.6V241 D242V241-H246 WeakPolarHBondContact CA-O 3.33Å; D242-H246 PolarHBondContact N-O 3.02Å; D242-H246 IonicContact OD1-CG 2.74Å; D242-H246 PolarHBondContact OD1-N 3.34Å; D242-H246 IonicContact OD1-ND1 3.37Å; D242-H246 PolarHBondContact OD1-ND1 2.64Å; D242-H246 IonicContact OD2-CG 3.59Å; D242-H246 IonicContact OD2-ND1 3.9Å; D242-H246 PolarHBondContact OD2-ND1 2.84Å
247A95.1Very high91.4Very high48 Ų4864.7 Ų64.740%0.39738%0.375SS..BIsolated β-bridgetrans-82.2138.717600000111.7C240 V241 T249 L254C240-A247 CarbonylContact O-C 3.57Å; C240-A247 WeakPolarHBondContact O-CA 3.46Å; V241-A247 HydrophobicContact CG2-CB 4.12Å; A247-T249 VanDerWaalsContact C-N 3.26Å; A247-T249 WeakPolarHBondContact CB-O 3.36Å; A247-T249 PolarHBondContact O-N 3.45Å; A247-L254 HydrophobicContact CB-CD1 3.59Å
248S94.7Very high90.8Very high87 Ų8767.6 Ų67.661%0.60839%0.389SS*.SBendtrans-66.5-27.2176.164.80000113.2C240C240-S248 PolarHBondContact N-OG 2.65Å; C240-S248 WeakPolarHBondContact O-CB 3.27Å; C240-S248 PolarHBondContact O-N 2.88Å; C240-S248 PolarHBondContact O-OG 3.07Å
249T92.2Very high90.5Very high75 Ų7565.2 Ų65.246%0.4638%0.377SS..SBendtrans-150.3161173.9-1760000109.9F239 A247F239-T249 HydrophobicContact CB-CG2 3.54Å; A247-T249 VanDerWaalsContact C-N 3.26Å; A247-T249 WeakPolarHBondContact CB-O 3.36Å; A247-T249 PolarHBondContact O-N 3.45Å
250K88.1Confident90.5Very high206 Ų20665.7 Ų65.790%0.89638%0.38SS*.  trans-68.2137.3169.9-67.1-173.4177.9-1750109.5
251S90.1Very high90.4Very high19 Ų1963.4 Ų63.413%0.13337%0.366CS..  trans-144.9133.6178.7178.90000109.2F239 L253 L254F239-S251 WeakPolarHBondContact CD1-OG 3.32Å; F239-S251 VanDerWaalsContact CE1-OG 3.3Å; F239-S251 WeakPolarHBondContact CE1-OG 3.2Å; S251-L253 PolarHBondContact O-N 3.22Å; S251-L253 PolarHBondContact OG-N 3.22Å; S251-L254 WeakPolarHBondContact O-CB 3.43Å; S251-L254 PolarHBondContact O-N 2.93Å
252Y88.9Confident90.4Very high107 Ų10765.3 Ų65.342%0.4238%0.376SS..G310 helixtrans-59.7-27.2176.268.9-83.5000112L254 D255 D269Y252-L254 PolarHBondContact O-N 3.24Å; Y252-D255 WeakPolarHBondContact O-CB 3.28Å; Y252-D255 PolarHBondContact O-N 3.13Å; Y252-D255 VanDerWaalsContact O-N 3.16Å; Y252-D269 VanDerWaalsContact OH-CG 3.26Å; Y252-D269 PolarHBondContact OH-OD2 2.96Å
253L91Very high90.5Very high0 Ų062 Ų620%036%0.358CS..G310 helixtrans-62.7-21.8177.5-66.1167.8000112.7V193 Q194 V197 I237 F239 S251 Q257 V265V193-L253 HydrophobicContact CG1-CD2 4.33Å; V193-L253 HydrophobicContact CG2-CD1 4.16Å; V193-L253 HydrophobicContact CG2-CD2 4.49Å; Q194-L253 HydrophobicContact CB-CD2 3.82Å; Q194-L253 HydrophobicContact CG-CD2 4.35Å; V197-L253 WeakPolarHBondContact CG1-O 3.23Å; I237-L253 HydrophobicContact CD1-CD1 3.69Å; I237-L253 HydrophobicContact CG1-CD1 4.12Å; I237-L253 HydrophobicContact CG2-CD1 3.77Å; F239-L253 HydrophobicContact CE1-CB 4.18Å; F239-L253 HydrophobicContact CE1-CD1 3.74Å; F239-L253 HydrophobicContact CZ-CB 4.24Å; F239-L253 HydrophobicContact CZ-CD1 4.38Å; S251-L253 PolarHBondContact O-N 3.22Å; S251-L253 PolarHBondContact OG-N 3.22Å; L253-Q257 VanDerWaalsContact O-CG 3.26Å; L253-Q257 WeakPolarHBondContact O-CG 3.42Å; L253-V265 HydrophobicContact CD1-CG1 4.4Å
254L90.5Very high90.8Very high36 Ų3660 Ų6019%0.18834%0.34CS..G310 helixtrans-93.6-8.8-179.2-62.1178.5000113.4F239 V241 A247 S251 Y252 N256 Q257 C260 L263F239-L254 HydrophobicContact CD2-CD1 4.02Å; F239-L254 HydrophobicContact CD2-CG 4.48Å; F239-L254 HydrophobicContact CE2-CD1 3.86Å; F239-L254 HydrophobicContact CE2-CD2 3.68Å; F239-L254 HydrophobicContact CE2-CG 3.87Å; F239-L254 HydrophobicContact CZ-CD1 4.46Å; F239-L254 HydrophobicContact CZ-CD2 3.97Å; F239-L254 HydrophobicContact CZ-CG 4.06Å; V241-L254 HydrophobicContact CG2-CD1 3.72Å; V241-L254 HydrophobicContact CG2-CD2 3.82Å; V241-L254 HydrophobicContact CG2-CG 4.44Å; A247-L254 HydrophobicContact CB-CD1 3.59Å; S251-L254 WeakPolarHBondContact O-CB 3.43Å; S251-L254 PolarHBondContact O-N 2.93Å; Y252-L254 PolarHBondContact O-N 3.24Å; L254-N256 PolarHBondContact O-N 3.33Å; L254-Q257 PolarHBondContact O-N 3.16Å; L254-C260 HydrophobicContact CD2-CB 3.65Å; L254-L263 HydrophobicContact CD2-CD2 4.48Å
255D86.3Confident91Very high100 Ų10056.4 Ų56.454%0.53531%0.31SS..THydrogen-bonded Turntrans-66.2133.1180-66.3-20.6000110.2Y252 Q257Y252-D255 WeakPolarHBondContact O-CB 3.28Å; Y252-D255 PolarHBondContact O-N 3.13Å; Y252-D255 VanDerWaalsContact O-N 3.16Å; D255-Q257 PolarHBondContact O-N 3.07Å; D255-Q257 VanDerWaalsContact O-N 3.08Å; D255-Q257 PolarHBondContact O-NE2 3.48Å; D255-Q257 VanDerWaalsContact O-NE2 3.16Å
256N77.6Confident91.2Very high92 Ų9259.9 Ų59.949%0.49231%0.313SS..THydrogen-bonded Turntrans55.623.5178.2-45.1-66.3000115.1L254 S374L254-N256 PolarHBondContact O-N 3.33Å; N256-S374 WeakPolarHBondContact ND2-CA 3.37Å; N256-S374 WeakPolarHBondContact ND2-CB 3.47Å; N256-S374 PolarHBondContact ND2-O 3.22Å
257Q82Confident91.3Very high35 Ų3554.9 Ų54.916%0.16430%0.296CS..  trans-81.5139.9173.6-57.7-54.6-43.900110.6V197 L253 L254 D255 C260V197-Q257 HydrophobicContact CG1-CG 4.3Å; L253-Q257 VanDerWaalsContact O-CG 3.26Å; L253-Q257 WeakPolarHBondContact O-CG 3.42Å; L254-Q257 PolarHBondContact O-N 3.16Å; D255-Q257 PolarHBondContact O-N 3.07Å; D255-Q257 VanDerWaalsContact O-N 3.08Å; D255-Q257 PolarHBondContact O-NE2 3.48Å; D255-Q257 VanDerWaalsContact O-NE2 3.16Å; Q257-C260 WeakPolarHBondContact CB-SG 3.29Å
258M79Confident91Very high70 Ų7055.1 Ų55.135%0.34529%0.288SS..SBendtrans-66-53.8178.2-59.8-167.484.400113.4S201 Y202 L205 F358S201-M258 PolarHBondContact OG-N 3.18Å; Y202-M258 HydrophobicContact CD1-SD 3.4Å; Y202-M258 WeakPolarHBondContact CD1-SD 3.44Å; Y202-M258 HydrophobicContact CE1-CG 4.19Å; Y202-M258 HydrophobicContact CE1-SD 3.15Å; Y202-M258 WeakPolarHBondContact CE1-SD 2.78Å; Y202-M258 HydrophobicContact CG-SD 4.31Å; L205-M258 HydrophobicContact CD2-CB 4.45Å; L205-M258 HydrophobicContact CD2-CE 3.27Å; L205-M258 HydrophobicContact CD2-SD 3.73Å; M258-F358 HydrophobicContact CE-CD1 4.48Å; M258-F358 HydrophobicContact CE-CE1 4Å
259N88.8Confident90.9Very high40 Ų4052.1 Ų52.121%0.21427%0.265CS..  trans-154.298.1-179.1-173.6-18.2000111.5S201 R204 A261S201-N259 WeakPolarHBondContact CA-O 3.44Å; S201-N259 PolarHBondContact OG-N 2.87Å; R204-N259 WeakPolarHBondContact CD-OD1 3.42Å; R204-N259 PolarHBondContact NE-OD1 3.06Å; N259-A261 WeakPolarHBondContact OD1-CB 3.45Å; N259-A261 PolarHBondContact OD1-N 3.4Å
260C93.6Very high91Very high14 Ų1448.9 Ų48.910%0.09525%0.245CC..  trans-102.519.2174.6-70.40000113.6V241 L254 Q257 L263V241-C260 VanDerWaalsContact CB-O 3.28Å; V241-C260 WeakPolarHBondContact CB-O 3.34Å; V241-C260 WeakPolarHBondContact CG1-O 3.47Å; L254-C260 HydrophobicContact CD2-CB 3.65Å; Q257-C260 WeakPolarHBondContact CB-SG 3.29Å; C260-L263 HydrophobicContact CB-CD2 3.99Å; C260-L263 WeakPolarHBondContact O-CB 3.45Å
261A95.5Very high91.4Very high10 Ų1042.3 Ų42.38%0.08322%0.222CC..THydrogen-bonded Turntrans-61.5144.3177.700000111Y200 R204 N259Y200-A261 PolarHBondContact OH-O 3.05Å; R204-A261 WeakPolarHBondContact CD-O 3.1Å; R204-A261 PolarHBondContact NE-O 3.16Å; N259-A261 WeakPolarHBondContact OD1-CB 3.45Å; N259-A261 PolarHBondContact OD1-N 3.4Å
262D97.2Very high91.6Very high44 Ų4442 Ų4224%0.23522%0.218CC..THydrogen-bonded Turntrans64.936.1-179.9-15323.8000114.5Y200 G216 C217 V241 D242 R306Y200-D262 PolarHBondContact OH-O 2.79Å; G216-D262 CarbonylContact C-O 3.47Å; G216-D262 WeakPolarHBondContact CA-O 3.07Å; G216-D262 WeakPolarHBondContact CA-OD2 3.38Å; G216-D262 PolarHBondContact N-OD2 3.31Å; C217-D262 PolarHBondContact N-O 3.29Å; V241-D262 CarbonylContact O-C 3.56Å; V241-D262 WeakPolarHBondContact O-CA 3.42Å; V241-D262 PolarHBondContact O-N 3.37Å; V241-D262 VanDerWaalsContact O-N 3.09Å; D242-D262 PolarHBondContact O-N 3.43Å; D262-R306 PolarHBondContact O-NH1 3.42Å; D262-R306 VanDerWaalsContact O-NH1 3.13Å; D262-R306 PolarHBondContact O-NH2 2.99Å; D262-R306 IonicContact OD1-CZ 2.84Å; D262-R306 IonicContact OD1-NH1 3.62Å; D262-R306 PolarHBondContact OD1-NH1 3.15Å; D262-R306 IonicContact OD2-NH1 3.93Å; D262-R306 PolarHBondContact OD2-NH1 3.35Å
263L98.4Very high92Very high0 Ų037.5 Ų37.50%020%0.203CC..EExtended strand (participates in β ladder)trans-114132.4-178.2178.167.2000111.6V197 Y200 C217 I219 F239 C240 V241 L254 C260 V265V197-L263 HydrophobicContact CG1-CD2 3.99Å; V197-L263 HydrophobicContact CG2-CD2 4.22Å; Y200-L263 HydrophobicContact CD1-CB 4.42Å; Y200-L263 HydrophobicContact CD1-CD1 3.97Å; Y200-L263 HydrophobicContact CD1-CD2 4.19Å; Y200-L263 HydrophobicContact CD1-CG 4.43Å; Y200-L263 HydrophobicContact CE1-CB 3.87Å; Y200-L263 HydrophobicContact CE1-CD1 4.1Å; Y200-L263 HydrophobicContact CE1-CD2 4.44Å; Y200-L263 HydrophobicContact CE1-CG 4.36Å; Y200-L263 HydrophobicContact CG-CD1 4.3Å; C217-L263 HydrophobicContact CB-CD1 4.08Å; C217-L263 CarbonylContact O-C 3.4Å; C217-L263 WeakPolarHBondContact O-CA 3.19Å; I219-L263 HydrophobicContact CD1-CD1 3.93Å; I219-L263 HydrophobicContact CG1-CD1 4.05Å; F239-L263 HydrophobicContact CE2-CD2 4.42Å; C240-L263 CarbonylContact C-O 3.6Å; C240-L263 WeakPolarHBondContact CA-O 3.49Å; V241-L263 HydrophobicContact CB-CB 4.47Å; V241-L263 PolarHBondContact N-O 3.44Å; V241-L263 PolarHBondContact O-N 3.47Å; V241-L263 VanDerWaalsContact O-N 3.11Å; L254-L263 HydrophobicContact CD2-CD2 4.48Å; C260-L263 HydrophobicContact CB-CD2 3.99Å; C260-L263 WeakPolarHBondContact O-CB 3.45Å; L263-V265 HydrophobicContact CD1-CG2 4.23Å; L263-V265 HydrophobicContact CD2-CG2 4.15Å; L263-V265 HydrophobicContact CG-CG2 4Å
264S98.2Very high92.3Very high32 Ų3237.6 Ų37.622%0.22420%0.203CC..EExtended strand (participates in β ladder)trans-118.6136.4169.7-173.70000109.7C217 D218 I219C217-S264 PolarHBondContact O-N 3.39Å; D218-S264 CarbonylContact C-O 3.5Å; D218-S264 WeakPolarHBondContact CA-O 3.4Å; D218-S264 VanDerWaalsContact OD1-CB 3.22Å; D218-S264 WeakPolarHBondContact OD1-CB 3.3Å; I219-S264 PolarHBondContact N-O 3.08Å
265V98.2Very high92.5Very high0 Ų036.5 Ų36.50%020%0.197CC..EExtended strand (participates in β ladder)trans-133.1126176.7-171.80000109.8V193 V197 I219 I221 I237 D238 F239 L253 L263V193-V265 HydrophobicContact CG2-CG1 3.69Å; V197-V265 HydrophobicContact CG2-CG2 4.12Å; I219-V265 HydrophobicContact CB-CG1 4.25Å; I219-V265 HydrophobicContact CB-CG2 4.21Å; I219-V265 HydrophobicContact CD1-CG2 4.28Å; I219-V265 HydrophobicContact CG1-CG2 4.41Å; I219-V265 CarbonylContact O-C 3.54Å; I219-V265 WeakPolarHBondContact O-CA 3.44Å; I221-V265 HydrophobicContact CD1-CG1 3.78Å; I237-V265 HydrophobicContact CB-CG1 4.48Å; I237-V265 HydrophobicContact CG2-CB 4Å; I237-V265 HydrophobicContact CG2-CG1 3.6Å; D238-V265 WeakPolarHBondContact CA-O 3.28Å; F239-V265 HydrophobicContact CD1-CB 4.18Å; F239-V265 HydrophobicContact CE1-CB 3.61Å; F239-V265 HydrophobicContact CE1-CG1 4.3Å; F239-V265 HydrophobicContact CE1-CG2 3.81Å; F239-V265 HydrophobicContact CE2-CB 4.39Å; F239-V265 HydrophobicContact CE2-CG2 3.98Å; F239-V265 HydrophobicContact CZ-CB 3.75Å; F239-V265 HydrophobicContact CZ-CG2 3.39Å; F239-V265 PolarHBondContact N-O 3.27Å; F239-V265 PolarHBondContact O-N 3.2Å; L253-V265 HydrophobicContact CD1-CG1 4.4Å; L263-V265 HydrophobicContact CD1-CG2 4.23Å; L263-V265 HydrophobicContact CD2-CG2 4.15Å; L263-V265 HydrophobicContact CG-CG2 4Å
266K96.8Very high92.9Very high115 Ų11531.9 Ų31.950%0.517%0.173SC..EExtended strand (participates in β ladder)trans-139.7134.8-177.3-173.5179.5178.8-176.50111.9I219 E220 I221 I237I219-K266 PolarHBondContact O-N 2.82Å; E220-K266 CarbonylContact C-O 3.5Å; E220-K266 VanDerWaalsContact CA-O 3.3Å; E220-K266 WeakPolarHBondContact CA-O 3.43Å; I221-K266 WeakPolarHBondContact CD1-O 3.3Å; I221-K266 PolarHBondContact N-O 2.88Å; I237-K266 CarbonylContact O-C 3.56Å; I237-K266 WeakPolarHBondContact O-CA 3.43Å
267G94.3Very high93.6Very high22 Ų2227.8 Ų27.823%0.22715%0.152CC..EExtended strand (participates in β ladder)trans140.4-143.717300000111.8I221 I237I221-G267 WeakPolarHBondContact O-CA 3.43Å; I237-G267 PolarHBondContact N-O 3.41Å; I237-G267 PolarHBondContact O-N 3.14Å
268K90.6Very high94.2Very high54 Ų5426.8 Ų26.824%0.23515%0.148CC..EExtended strand (participates in β ladder)trans-124.6132.9178.4-176.8-172.9167.6-158.70109.2I221 D223 N235 I270I221-K268 WeakPolarHBondContact CG2-O 3.23Å; D223-K268 HydrophobicContact CB-CD 4.39Å; D223-K268 IonicContact OD2-NZ 2.9Å; D223-K268 PolarHBondContact OD2-NZ 2.94Å; N235-K268 HydrophobicContact CB-CG 3.82Å; N235-K268 CarbonylContact O-C 3.24Å; N235-K268 VanDerWaalsContact O-CA 3.32Å; N235-K268 WeakPolarHBondContact O-CA 3.44Å; K268-I270 PolarHBondContact O-N 2.96Å
269D92.2Very high95.1Very high23 Ų2323.4 Ų23.412%0.12313%0.131CC..  trans-62.9129.7172.6-160.12.2000109.9S191 V193 N235 I237 Y252S191-D269 PolarHBondContact OG-OD1 2.9Å; V193-D269 WeakPolarHBondContact CG1-OD1 3.27Å; N235-D269 PolarHBondContact O-N 3.12Å; I237-D269 HydrophobicContact CD1-CB 3.66Å; I237-D269 HydrophobicContact CG1-CB 4.4Å; Y252-D269 VanDerWaalsContact OH-CG 3.26Å; Y252-D269 PolarHBondContact OH-OD2 2.96Å
270I94.4Very high95.4Very high7 Ų721.5 Ų21.54%0.03612%0.121CC..  trans-117.3149.8177.562.2166.9000107.7P192 I221 D223 K268 I311 N313 I318P192-I270 VanDerWaalsContact CD-O 3.29Å; P192-I270 WeakPolarHBondContact CD-O 3.44Å; P192-I270 HydrophobicContact CG-CD1 3.8Å; P192-I270 HydrophobicContact CG-CG1 3.69Å; I221-I270 HydrophobicContact CG2-CD1 4.29Å; I221-I270 HydrophobicContact CG2-CG1 4.12Å; I221-I270 HydrophobicContact CG2-CG2 4.13Å; D223-I270 HydrophobicContact CB-CG2 4Å; K268-I270 PolarHBondContact O-N 2.96Å; I270-I311 HydrophobicContact CD1-CG2 3.72Å; I270-I311 HydrophobicContact CG1-CG2 4.45Å; I270-N313 HydrophobicContact CB-CB 4.47Å; I270-N313 HydrophobicContact CD1-CB 3.68Å; I270-N313 HydrophobicContact CG2-CB 4.1Å; I270-I318 HydrophobicContact CD1-CD1 4.34Å
271T94.8Very high95.5Very high68 Ų6821 Ų2142%0.41712%0.117SC..  trans-131.9151.6175.361.30000110D189 C190D189-T271 HydrophobicContact CB-CG2 4.26Å; D189-T271 WeakPolarHBondContact O-CB 3.39Å; D189-T271 WeakPolarHBondContact O-CG2 3.42Å; D189-T271 PolarHBondContact OD1-OG1 3.32Å; C190-T271 WeakPolarHBondContact O-CA 3.34Å
272F96.3Very high95.6Very high12 Ų1220.5 Ų20.55%0.05311%0.113CC..EExtended strand (participates in β ladder)trans-154.6160.117574.4-60.6000110P188 C190 P192 Y274 L279 I318 L428P188-F272 CarbonylContact O-C 3.58Å; C190-F272 WeakPolarHBondContact CA-O 3.42Å; C190-F272 HydrophobicContact CB-CD1 4.4Å; C190-F272 HydrophobicContact CB-CE1 4.38Å; C190-F272 WeakPolarHBondContact CB-O 3.3Å; C190-F272 PolarHBondContact N-O 2.88Å; C190-F272 WeakPolarHBondContact O-CD1 3.47Å; C190-F272 PolarHBondContact O-N 3.21Å; C190-F272 VanDerWaalsContact O-N 3.15Å; P192-F272 HydrophobicContact CB-CE1 4.28Å; P192-F272 HydrophobicContact CG-CE1 4.25Å; F272-Y274 HydrophobicContact CD2-CD2 4.44Å; F272-Y274 HydrophobicContact CE2-CD1 4.45Å; F272-Y274 AromaticContact CE2-CD2 3.57Å; F272-Y274 HydrophobicContact CE2-CD2 3.57Å; F272-Y274 HydrophobicContact CE2-CE2 4.44Å; F272-Y274 AromaticContact CE2-CG 3.59Å; F272-Y274 HydrophobicContact CE2-CG 3.59Å; F272-Y274 HydrophobicContact CZ-CD1 4.16Å; F272-Y274 HydrophobicContact CZ-CD2 4.1Å; F272-Y274 AromaticContact CZ-CG 3.68Å; F272-Y274 HydrophobicContact CZ-CG 3.68Å; F272-Y274 PolarHBondContact O-N 3.33Å; F272-L279 HydrophobicContact CE1-CD2 4.26Å; F272-L279 HydrophobicContact CZ-CD2 4.24Å; F272-I318 HydrophobicContact CB-CG1 4.29Å; F272-I318 HydrophobicContact CD1-CG1 4.14Å; F272-I318 HydrophobicContact CD2-CG1 3.7Å; F272-I318 HydrophobicContact CE1-CG1 4.41Å; F272-I318 HydrophobicContact CE2-CB 4.39Å; F272-I318 HydrophobicContact CE2-CG1 3.96Å; F272-I318 HydrophobicContact CG-CD1 4.43Å; F272-I318 HydrophobicContact CG-CG1 3.79Å; F272-I318 HydrophobicContact CZ-CG1 4.33Å; F272-I318 HydrophobicContact CZ-CG2 4.49Å; F272-L428 HydrophobicContact CE2-CB 4.28Å; F272-L428 HydrophobicContact CE2-CD1 4.24Å; F272-L428 HydrophobicContact CZ-CD1 3.86Å
273C96.4Very high95.6Very high14 Ų1418.4 Ų18.410%0.09510%0.102CC..EExtended strand (participates in β ladder)trans-76.2118.6179.2179.60000110.4L30 D187 P188L30-C273 WeakPolarHBondContact CD1-O 3.23Å; D187-C273 WeakPolarHBondContact O-CA 3.3Å; P188-C273 WeakPolarHBondContact O-CA 3.34Å; P188-C273 PolarHBondContact O-N 3.32Å
274Y97.3Very high95.4Very high1 Ų118.7 Ų18.70%0.00410%0.103CC..EExtended strand (participates in β ladder)trans-156.7178.2179.9-152.8-110.3000113.1L30 D187 F272 P276 H278 L279 M282 L408 L428L30-Y274 HydrophobicContact CD1-CD2 3.87Å; L30-Y274 HydrophobicContact CD1-CE2 4.44Å; D187-Y274 PolarHBondContact N-O 3.2Å; D187-Y274 PolarHBondContact O-N 3.1Å; F272-Y274 HydrophobicContact CD2-CD2 4.44Å; F272-Y274 HydrophobicContact CE2-CD1 4.45Å; F272-Y274 AromaticContact CE2-CD2 3.57Å; F272-Y274 HydrophobicContact CE2-CD2 3.57Å; F272-Y274 HydrophobicContact CE2-CE2 4.44Å; F272-Y274 AromaticContact CE2-CG 3.59Å; F272-Y274 HydrophobicContact CE2-CG 3.59Å; F272-Y274 HydrophobicContact CZ-CD1 4.16Å; F272-Y274 HydrophobicContact CZ-CD2 4.1Å; F272-Y274 AromaticContact CZ-CG 3.68Å; F272-Y274 HydrophobicContact CZ-CG 3.68Å; F272-Y274 PolarHBondContact O-N 3.33Å; Y274-P276 WeakPolarHBondContact O-CD 3.41Å; Y274-H278 HydrophobicContact CE1-CB 4.13Å; Y274-L279 HydrophobicContact CD1-CB 3.93Å; Y274-L279 HydrophobicContact CE1-CB 3.98Å; Y274-M282 HydrophobicContact CE1-CE 4.38Å; Y274-L408 HydrophobicContact CD2-CD1 4.33Å; Y274-L408 HydrophobicContact CE2-CB 4.26Å; Y274-L408 HydrophobicContact CE2-CD1 3.66Å; Y274-L428 HydrophobicContact CE1-CD1 4.21Å; Y274-L428 HydrophobicContact CE2-CB 4.42Å; Y274-L428 HydrophobicContact CE2-CD1 4.45Å; Y274-L428 HydrophobicContact CE2-CD2 4.26Å; Y274-L428 WeakPolarHBondContact OH-CD2 3.13Å
275I95.1Very high95.3Very high13 Ų1317.7 Ų17.77%0.06710%0.095CC..  trans-97.7107.6172.8-60.8174.7000108.4L30 T163 I186 G277 H278 L279 L408L30-I275 HydrophobicContact CD2-CD1 4.09Å; L30-I275 HydrophobicContact CD2-CG1 3.97Å; T163-I275 HydrophobicContact CG2-CD1 3.86Å; I186-I275 HydrophobicContact CG1-CG1 4.08Å; I275-G277 VanDerWaalsContact C-N 3.33Å; I275-G277 PolarHBondContact O-N 2.92Å; I275-H278 HydrophobicContact CB-CB 4.18Å; I275-H278 HydrophobicContact CG2-CB 4.18Å; I275-H278 PolarHBondContact O-N 3.43Å; I275-H278 VanDerWaalsContact O-N 3.14Å; I275-L279 PolarHBondContact O-N 3.47Å; I275-L408 HydrophobicContact CD1-CD1 4.06Å; I275-L408 HydrophobicContact CG1-CD1 4.42Å
276P94.1Very high95.2Very high4 Ų418 Ų183%0.02610%0.096CC..Hα-helixtrans-56.6-42.2-175.1-2835.9000113.8G185 D187 I195 Y274 H278 L279 F280G185-P276 WeakPolarHBondContact O-CD 3.48Å; D187-P276 HydrophobicContact CB-CG 3.63Å; I195-P276 HydrophobicContact CD1-CB 3.95Å; Y274-P276 WeakPolarHBondContact O-CD 3.41Å; P276-H278 VanDerWaalsContact C-N 3.32Å; P276-H278 PolarHBondContact O-N 2.94Å; P276-L279 PolarHBondContact O-N 3.3Å; P276-F280 WeakPolarHBondContact O-CB 3.27Å; P276-F280 PolarHBondContact O-N 2.74Å
277G92.1Very high95.3Very high6 Ų612.5 Ų12.56%0.0627%0.072CC..Hα-helixtrans-59.4-39.1178.500000113.3I275 F280 Y281 E384I275-G277 VanDerWaalsContact C-N 3.33Å; I275-G277 PolarHBondContact O-N 2.92Å; G277-F280 PolarHBondContact O-N 2.92Å; G277-Y281 WeakPolarHBondContact O-CB 3.23Å; G277-Y281 PolarHBondContact O-N 3.17Å; G277-E384 WeakPolarHBondContact O-CG 3.32Å
278H95.7Very high95.3Very high13 Ų1312.9 Ų12.96%0.067%0.068CC..Hα-helixtrans-66.3-45.7177.6-70.6-163.6000111Y274 I275 P276 Y281 M282 Y404 Y407Y274-H278 HydrophobicContact CE1-CB 4.13Å; I275-H278 HydrophobicContact CB-CB 4.18Å; I275-H278 HydrophobicContact CG2-CB 4.18Å; I275-H278 PolarHBondContact O-N 3.43Å; I275-H278 VanDerWaalsContact O-N 3.14Å; P276-H278 VanDerWaalsContact C-N 3.32Å; P276-H278 PolarHBondContact O-N 2.94Å; H278-Y281 PolarHBondContact O-N 3.45Å; H278-M282 WeakPolarHBondContact O-CG 3.23Å; H278-M282 PolarHBondContact O-N 3.35Å; H278-Y404 HydrophobicContact CB-CD1 3.97Å; H278-Y404 AromaticContact CD2-CD1 3.67Å; H278-Y404 AromaticContact CD2-CE1 3.59Å; H278-Y404 AromaticContact CG-CD1 3.55Å; H278-Y404 AromaticContact CG-CE1 3.98Å; H278-Y404 AromaticContact ND1-CD1 3.78Å; H278-Y404 AromaticContact NE2-CD1 3.97Å; H278-Y404 AromaticContact NE2-CE1 3.78Å; H278-Y407 AromaticContact CE1-CD1 3.69Å; H278-Y407 AromaticContact CE1-CE1 3.71Å; H278-Y407 AromaticContact ND1-CD1 3.97Å
279L97.5Very high95.5Very high0 Ų013 Ų130%07%0.071CC..Hα-helixtrans-64.3-43.2177.9-179.150.5000111.4P192 I195 F272 Y274 I275 P276 Y281 M282 L283 I320 L428P192-L279 HydrophobicContact CB-CD2 4Å; I195-L279 HydrophobicContact CB-CD2 4.46Å; I195-L279 HydrophobicContact CB-CG 4.4Å; I195-L279 HydrophobicContact CD1-CB 4.18Å; I195-L279 HydrophobicContact CD1-CD2 3.82Å; I195-L279 HydrophobicContact CD1-CG 4.16Å; I195-L279 HydrophobicContact CG2-CB 4.36Å; I195-L279 HydrophobicContact CG2-CG 4.01Å; F272-L279 HydrophobicContact CE1-CD2 4.26Å; F272-L279 HydrophobicContact CZ-CD2 4.24Å; Y274-L279 HydrophobicContact CD1-CB 3.93Å; Y274-L279 HydrophobicContact CE1-CB 3.98Å; I275-L279 PolarHBondContact O-N 3.47Å; P276-L279 PolarHBondContact O-N 3.3Å; L279-Y281 PolarHBondContact O-N 3.11Å; L279-M282 HydrophobicContact CD1-CE 4.07Å; L279-M282 PolarHBondContact O-N 2.87Å; L279-L283 HydrophobicContact CD1-CD1 3.75Å; L279-L283 HydrophobicContact CD1-CD2 4.44Å; L279-L283 HydrophobicContact CD1-CG 3.89Å; L279-L283 HydrophobicContact CG-CD1 3.93Å; L279-L283 HydrophobicContact CG-CG 4.44Å; L279-L283 WeakPolarHBondContact O-CG 3.5Å; L279-L283 PolarHBondContact O-N 2.77Å; L279-I320 HydrophobicContact CD1-CD1 3.73Å; L279-I320 HydrophobicContact CD2-CD1 4.48Å; L279-L428 HydrophobicContact CD1-CD1 4Å
280F95.6Very high95.7Very high0 Ų012.2 Ų12.20%07%0.068CC..Hα-helixtrans-58.7-47.4175.3178.1-89.2000111.8I195 N198 A199 Y202 P276 G277 M282 L283 Y284 M377 V381 R385I195-F280 HydrophobicContact CG2-CB 3.78Å; I195-F280 HydrophobicContact CG2-CD2 4.33Å; N198-F280 HydrophobicContact CB-CE2 4.46Å; A199-F280 HydrophobicContact CB-CD2 4.18Å; A199-F280 HydrophobicContact CB-CE2 4.17Å; Y202-F280 AromaticContact CD2-CE2 3.89Å; Y202-F280 HydrophobicContact CD2-CE2 3.89Å; Y202-F280 AromaticContact CD2-CZ 3.82Å; Y202-F280 HydrophobicContact CD2-CZ 3.82Å; Y202-F280 HydrophobicContact CE2-CE2 4.44Å; Y202-F280 HydrophobicContact CE2-CZ 4.4Å; Y202-F280 HydrophobicContact CG-CZ 4.33Å; P276-F280 WeakPolarHBondContact O-CB 3.27Å; P276-F280 PolarHBondContact O-N 2.74Å; G277-F280 PolarHBondContact O-N 2.92Å; F280-M282 VanDerWaalsContact C-N 3.29Å; F280-M282 PolarHBondContact O-N 2.62Å; F280-L283 PolarHBondContact O-N 3.2Å; F280-Y284 HydrophobicContact CE1-CD1 4.23Å; F280-Y284 AromaticContact CE1-CG 3.94Å; F280-Y284 HydrophobicContact CE1-CG 3.94Å; F280-Y284 HydrophobicContact CZ-CD2 4.18Å; F280-Y284 HydrophobicContact CZ-CG 4.05Å; F280-Y284 WeakPolarHBondContact O-CB 3.46Å; F280-Y284 PolarHBondContact O-N 2.99Å; F280-M377 HydrophobicContact CB-CE 4.43Å; F280-M377 HydrophobicContact CD2-CE 4.14Å; F280-V381 HydrophobicContact CB-CB 3.93Å; F280-V381 HydrophobicContact CB-CG1 3.51Å; F280-V381 HydrophobicContact CD1-CB 3.55Å; F280-V381 HydrophobicContact CD1-CG1 4.13Å; F280-V381 HydrophobicContact CD1-CG2 3.9Å; F280-V381 HydrophobicContact CD2-CB 3.97Å; F280-V381 HydrophobicContact CD2-CG1 3.93Å; F280-V381 HydrophobicContact CD2-CG2 3.85Å; F280-V381 HydrophobicContact CE1-CB 4.02Å; F280-V381 HydrophobicContact CE1-CG2 3.87Å; F280-V381 HydrophobicContact CE2-CB 4.38Å; F280-V381 HydrophobicContact CE2-CG2 3.8Å; F280-V381 HydrophobicContact CG-CB 3.53Å; F280-V381 HydrophobicContact CG-CG1 3.58Å; F280-V381 HydrophobicContact CG-CG2 3.89Å; F280-V381 HydrophobicContact CZ-CB 4.4Å; F280-V381 HydrophobicContact CZ-CG2 3.81Å; F280-R385 HydrophobicContact CE1-CB 3.81Å; F280-R385 HydrophobicContact CE1-CG 4.25Å; F280-R385 HydrophobicContact CZ-CB 4.39Å; F280-R385 HydrophobicContact CZ-CG 4.45Å
281Y93.8Very high95.8Very high2 Ų211.9 Ų11.91%0.0087%0.066CC..Hα-helixtrans-54.1-48.3178.7-174.3-79.1000111.4G277 H278 L279 E285 E384 A387 C388 I391 L400 S401 Y404G277-Y281 WeakPolarHBondContact O-CB 3.23Å; G277-Y281 PolarHBondContact O-N 3.17Å; H278-Y281 PolarHBondContact O-N 3.45Å; L279-Y281 PolarHBondContact O-N 3.11Å; Y281-E285 WeakPolarHBondContact O-CB 2.94Å; Y281-E285 PolarHBondContact O-N 3.11Å; Y281-E384 HydrophobicContact CD2-CB 4.15Å; Y281-A387 HydrophobicContact CE2-CB 4.5Å; Y281-C388 HydrophobicContact CD2-CB 4.44Å; Y281-C388 HydrophobicContact CE2-CB 4.1Å; Y281-I391 VanDerWaalsContact OH-CD1 3.3Å; Y281-I391 WeakPolarHBondContact OH-CD1 3.35Å; Y281-L400 HydrophobicContact CE1-CB 3.94Å; Y281-L400 WeakPolarHBondContact OH-CB 3.45Å; Y281-L400 WeakPolarHBondContact OH-CD1 3.35Å; Y281-S401 WeakPolarHBondContact CE1-OG 3.21Å; Y281-Y404 AromaticContact CD1-CD2 3.32Å; Y281-Y404 HydrophobicContact CD1-CD2 3.32Å; Y281-Y404 AromaticContact CD1-CE2 3.35Å; Y281-Y404 HydrophobicContact CD1-CE2 3.35Å; Y281-Y404 HydrophobicContact CD1-CG 4.45Å; Y281-Y404 HydrophobicContact CD2-CD2 4.47Å; Y281-Y404 AromaticContact CD2-CE2 3.69Å; Y281-Y404 HydrophobicContact CD2-CE2 3.69Å; Y281-Y404 AromaticContact CE1-CD2 3.73Å; Y281-Y404 HydrophobicContact CE1-CD2 3.73Å; Y281-Y404 AromaticContact CE1-CE2 3.59Å; Y281-Y404 HydrophobicContact CE1-CE2 3.59Å; Y281-Y404 AromaticContact CE2-CE2 3.89Å; Y281-Y404 HydrophobicContact CE2-CE2 3.89Å; Y281-Y404 AromaticContact CG-CD2 3.75Å; Y281-Y404 HydrophobicContact CG-CD2 3.75Å; Y281-Y404 AromaticContact CG-CE2 3.4Å; Y281-Y404 HydrophobicContact CG-CE2 3.4Å; Y281-Y404 VanDerWaalsContact CG-CE2 3.4Å; Y281-Y404 AromaticContact CZ-CE2 3.84Å
282M97.7Very high95.8Very high0 Ų010.5 Ų10.50%05%0.053CC..Hα-helixtrans-61.6-49.8-180-68.3-174.3-71.800111.7Y274 H278 L279 F280 L286 S401 A405 I426 L428Y274-M282 HydrophobicContact CE1-CE 4.38Å; H278-M282 WeakPolarHBondContact O-CG 3.23Å; H278-M282 PolarHBondContact O-N 3.35Å; L279-M282 HydrophobicContact CD1-CE 4.07Å; L279-M282 PolarHBondContact O-N 2.87Å; F280-M282 VanDerWaalsContact C-N 3.29Å; F280-M282 PolarHBondContact O-N 2.62Å; M282-L286 WeakPolarHBondContact O-CB 3.48Å; M282-L286 VanDerWaalsContact O-CG 3.23Å; M282-L286 WeakPolarHBondContact O-CG 3.33Å; M282-L286 PolarHBondContact O-N 2.88Å; M282-L286 VanDerWaalsContact O-N 3.09Å; M282-S401 WeakPolarHBondContact CG-O 3.44Å; M282-A405 HydrophobicContact SD-CB 3.66Å; M282-I426 HydrophobicContact CB-CD1 4.02Å; M282-I426 HydrophobicContact CE-CG2 4.17Å; M282-I426 HydrophobicContact SD-CG2 4Å; M282-L428 HydrophobicContact CE-CD1 4.47Å; M282-L428 HydrophobicContact CE-CD2 3.89Å
283L98.3Very high95.7Very high0 Ų011.3 Ų11.30%06%0.062CC..Hα-helixtrans-68.2-41.1-177.6-62.9177.3000111.9I195 A196 A199 L279 F280 L286 L287 I320 I322 I426I195-L283 HydrophobicContact CB-CD1 4.46Å; I195-L283 HydrophobicContact CG2-CD1 4.07Å; A196-L283 HydrophobicContact CB-CD1 4Å; A199-L283 HydrophobicContact CB-CB 3.71Å; L279-L283 HydrophobicContact CD1-CD1 3.75Å; L279-L283 HydrophobicContact CD1-CD2 4.44Å; L279-L283 HydrophobicContact CD1-CG 3.89Å; L279-L283 HydrophobicContact CG-CD1 3.93Å; L279-L283 HydrophobicContact CG-CG 4.44Å; L279-L283 WeakPolarHBondContact O-CG 3.5Å; L279-L283 PolarHBondContact O-N 2.77Å; F280-L283 PolarHBondContact O-N 3.2Å; L283-L286 PolarHBondContact O-N 2.91Å; L283-L287 VanDerWaalsContact O-CB 3.28Å; L283-L287 WeakPolarHBondContact O-CB 3.43Å; L283-L287 VanDerWaalsContact O-CG 3.26Å; L283-L287 WeakPolarHBondContact O-CG 3.38Å; L283-L287 PolarHBondContact O-N 3.2Å; L283-I320 HydrophobicContact CD1-CD1 4.43Å; L283-I320 HydrophobicContact CD2-CD1 4.24Å; L283-I320 HydrophobicContact CD2-CG2 3.87Å; L283-I322 HydrophobicContact CD2-CD1 3.79Å; L283-I426 HydrophobicContact CD2-CD1 3.64Å; L283-I426 HydrophobicContact CG-CD1 4.5Å
284Y95Very high95.8Very high7 Ų710.7 Ų10.73%0.0276%0.057CC..Hα-helixtrans-63.2-45.9178.3179.5-117000111.5S203 L206 F280 K288 R385 C388S203-Y284 VanDerWaalsContact OG-CD2 3.23Å; S203-Y284 WeakPolarHBondContact OG-CD2 3.44Å; S203-Y284 PolarHBondContact OG-O 3.13Å; L206-Y284 WeakPolarHBondContact CD2-OH 3.18Å; F280-Y284 HydrophobicContact CE1-CD1 4.23Å; F280-Y284 AromaticContact CE1-CG 3.94Å; F280-Y284 HydrophobicContact CE1-CG 3.94Å; F280-Y284 HydrophobicContact CZ-CD2 4.18Å; F280-Y284 HydrophobicContact CZ-CG 4.05Å; F280-Y284 WeakPolarHBondContact O-CB 3.46Å; F280-Y284 PolarHBondContact O-N 2.99Å; Y284-K288 WeakPolarHBondContact O-CB 3.43Å; Y284-K288 PolarHBondContact O-N 3.43Å; Y284-R385 HydrophobicContact CE1-CG 4.34Å; Y284-C388 HydrophobicContact CD1-CB 3.76Å; Y284-C388 WeakPolarHBondContact CD1-SG 3.06Å; Y284-C388 HydrophobicContact CE1-CB 3.75Å; Y284-C388 WeakPolarHBondContact CE1-SG 3.27Å
285E94.3Very high95.7Very high10 Ų1010.9 Ų10.95%0.0476%0.059CC..Hα-helixtrans-63.4-45177.7-176.661.8-150.400111.8Y281 K288 N289 C388 S401Y281-E285 WeakPolarHBondContact O-CB 2.94Å; Y281-E285 PolarHBondContact O-N 3.11Å; E285-K288 IonicContact OE1-NZ 3.18Å; E285-K288 PolarHBondContact OE1-NZ 3.45Å; E285-K288 WeakPolarHBondContact OE2-CE 3.33Å; E285-K288 IonicContact OE2-NZ 3.53Å; E285-K288 PolarHBondContact OE2-NZ 3.43Å; E285-N289 WeakPolarHBondContact O-CB 3.18Å; E285-N289 VanDerWaalsContact O-CG 3.26Å; E285-N289 PolarHBondContact O-N 3.45Å; E285-N289 VanDerWaalsContact O-N 3.11Å; E285-N289 PolarHBondContact O-ND2 3.45Å; E285-N289 PolarHBondContact OE1-ND2 3.17Å; E285-C388 PolarHBondContact OE2-SG 3.4Å; E285-S401 WeakPolarHBondContact CB-OG 3.34Å
286L97.7Very high95.7Very high6 Ų613.5 Ų13.53%0.0317%0.071CC..Hα-helixtrans-66.4-45.2179.9-69.8172000111.7M282 L283 N289 S290 I322 L398 L412 L414 A424 I426M282-L286 WeakPolarHBondContact O-CB 3.48Å; M282-L286 VanDerWaalsContact O-CG 3.23Å; M282-L286 WeakPolarHBondContact O-CG 3.33Å; M282-L286 PolarHBondContact O-N 2.88Å; M282-L286 VanDerWaalsContact O-N 3.09Å; L283-L286 PolarHBondContact O-N 2.91Å; L286-N289 PolarHBondContact O-N 3.17Å; L286-S290 WeakPolarHBondContact O-CB 3.24Å; L286-S290 PolarHBondContact O-N 3.46Å; L286-S290 PolarHBondContact O-OG 3.38Å; L286-I322 HydrophobicContact CB-CD1 3.67Å; L286-I322 HydrophobicContact CD1-CD1 3.89Å; L286-I322 HydrophobicContact CG-CD1 4.46Å; L286-L398 HydrophobicContact CD2-CD1 3.64Å; L286-L412 HydrophobicContact CD1-CD1 4.04Å; L286-L412 HydrophobicContact CD2-CD1 4.49Å; L286-L412 HydrophobicContact CD2-CD2 4.45Å; L286-L414 HydrophobicContact CD2-CD2 4.49Å; L286-A424 HydrophobicContact CD1-CB 3.92Å; L286-A424 HydrophobicContact CD2-CB 3.74Å; L286-A424 HydrophobicContact CG-CB 4.39Å; L286-I426 HydrophobicContact CD1-CD1 3.73Å; L286-I426 HydrophobicContact CD1-CG1 3.96Å
287L98.1Very high95.7Very high0 Ų017 Ų170%09%0.09CC..Hα-helixtrans-65.8-42.9179-73.5167.7000112.1A199 S203 L283 N289 S290 M291 I307 I309 I322A199-L287 HydrophobicContact CB-CD1 3.9Å; S203-L287 WeakPolarHBondContact OG-CB 3.43Å; L283-L287 VanDerWaalsContact O-CB 3.28Å; L283-L287 WeakPolarHBondContact O-CB 3.43Å; L283-L287 VanDerWaalsContact O-CG 3.26Å; L283-L287 WeakPolarHBondContact O-CG 3.38Å; L283-L287 PolarHBondContact O-N 3.2Å; L287-N289 VanDerWaalsContact C-N 3.28Å; L287-N289 PolarHBondContact O-N 3.04Å; L287-S290 PolarHBondContact O-N 2.93Å; L287-M291 VanDerWaalsContact O-CB 3.31Å; L287-M291 WeakPolarHBondContact O-CB 3.08Å; L287-M291 WeakPolarHBondContact O-CG 3.47Å; L287-M291 PolarHBondContact O-N 3.27Å; L287-I307 HydrophobicContact CD2-CG2 4.05Å; L287-I309 HydrophobicContact CD1-CD1 4.14Å; L287-I309 HydrophobicContact CD2-CD1 3.83Å; L287-I309 HydrophobicContact CD2-CG1 4.38Å; L287-I309 HydrophobicContact CG-CD1 4.47Å; L287-I322 HydrophobicContact CD2-CG2 4.18Å; L287-I322 HydrophobicContact CG-CD1 4.35Å
288K94.1Very high95.9Very high30 Ų3018.4 Ų18.413%0.139%0.094CC..Hα-helixtrans-54.2-46.8172.4178.1-169.970.6-169.80111.4L206 Y284 E285 R292 C388L206-K288 HydrophobicContact CD2-CD 3.68Å; L206-K288 HydrophobicContact CD2-CG 3.87Å; Y284-K288 WeakPolarHBondContact O-CB 3.43Å; Y284-K288 PolarHBondContact O-N 3.43Å; E285-K288 IonicContact OE1-NZ 3.18Å; E285-K288 PolarHBondContact OE1-NZ 3.45Å; E285-K288 WeakPolarHBondContact OE2-CE 3.33Å; E285-K288 IonicContact OE2-NZ 3.53Å; E285-K288 PolarHBondContact OE2-NZ 3.43Å; K288-R292 WeakPolarHBondContact O-CB 3.29Å; K288-R292 PolarHBondContact O-N 3.49Å; K288-R292 VanDerWaalsContact O-N 3.09Å; K288-C388 PolarHBondContact NZ-SG 3.04Å
289N93.9Very high95.6Very high56 Ų5622.5 Ų22.530%0.29912%0.116SC..Hα-helixtrans-69.4-43.1-179.1-71.2-34.7000112.3E285 L286 L287 R292 A293E285-N289 WeakPolarHBondContact O-CB 3.18Å; E285-N289 VanDerWaalsContact O-CG 3.26Å; E285-N289 PolarHBondContact O-N 3.45Å; E285-N289 VanDerWaalsContact O-N 3.11Å; E285-N289 PolarHBondContact O-ND2 3.45Å; E285-N289 PolarHBondContact OE1-ND2 3.17Å; L286-N289 PolarHBondContact O-N 3.17Å; L287-N289 VanDerWaalsContact C-N 3.28Å; L287-N289 PolarHBondContact O-N 3.04Å; N289-R292 PolarHBondContact O-N 2.84Å; N289-A293 WeakPolarHBondContact O-CB 3.15Å; N289-A293 PolarHBondContact O-N 3.44Å
290S97.9Very high95.3Very high8 Ų829.5 Ų29.56%0.05615%0.154CC..Hα-helixtrans-63.6-43.5175.9-740000112.3L286 L287 R292 A293 V294 D324L286-S290 WeakPolarHBondContact O-CB 3.24Å; L286-S290 PolarHBondContact O-N 3.46Å; L286-S290 PolarHBondContact O-OG 3.38Å; L287-S290 PolarHBondContact O-N 2.93Å; S290-R292 VanDerWaalsContact C-N 3.34Å; S290-R292 PolarHBondContact O-N 3.24Å; S290-A293 PolarHBondContact O-N 2.9Å; S290-V294 WeakPolarHBondContact O-CG2 3.06Å; S290-V294 PolarHBondContact O-N 3.4Å; S290-D324 WeakPolarHBondContact CB-OD2 3.07Å; S290-D324 PolarHBondContact OG-OD2 2.94Å
291M97Very high95.2Very high0 Ų033 Ų330%017%0.172CC..Hα-helixtrans-63.1-41.5176.9-73-178.5-17900111.9Y200 R204 C207 P215 L287 T295 I307Y200-M291 HydrophobicContact CD2-CE 3.3Å; Y200-M291 HydrophobicContact CE2-CE 3.38Å; Y200-M291 HydrophobicContact CG-CE 4.28Å; R204-M291 HydrophobicContact CB-CE 4.04Å; R204-M291 HydrophobicContact CB-SD 4.35Å; R204-M291 PolarHBondContact N-SD 2.83Å; R204-M291 VanDerWaalsContact N-SD 3.43Å; C207-M291 HydrophobicContact CB-CB 4.01Å; C207-M291 HydrophobicContact CB-SD 3.98Å; P215-M291 HydrophobicContact CG-CB 4.18Å; P215-M291 HydrophobicContact CG-CG 3.88Å; L287-M291 VanDerWaalsContact O-CB 3.31Å; L287-M291 WeakPolarHBondContact O-CB 3.08Å; L287-M291 WeakPolarHBondContact O-CG 3.47Å; L287-M291 PolarHBondContact O-N 3.27Å; M291-T295 WeakPolarHBondContact O-CB 3.4Å; M291-T295 PolarHBondContact O-N 3.32Å; M291-T295 PolarHBondContact O-OG1 2.79Å; M291-I307 HydrophobicContact CB-CD1 4.34Å; M291-I307 HydrophobicContact CG-CD1 3.51Å
292R93.3Very high95Very high39 Ų3936.6 Ų36.615%0.14721%0.21CC..Hα-helixtrans-58.8-51.5172.1163.5168.5-178.3-109.5-17.6111.2Y211 K288 N289 S290 V294 T295 E296 T344Y211-R292 HydrophobicContact CE2-CB 4.26Å; Y211-R292 HydrophobicContact CE2-CG 4.42Å; Y211-R292 VanDerWaalsContact OH-CD 3.27Å; Y211-R292 WeakPolarHBondContact OH-CD 3.47Å; Y211-R292 VanDerWaalsContact OH-CG 3.23Å; Y211-R292 WeakPolarHBondContact OH-CG 3.5Å; Y211-R292 PolarHBondContact OH-NE 2.85Å; K288-R292 WeakPolarHBondContact O-CB 3.29Å; K288-R292 PolarHBondContact O-N 3.49Å; K288-R292 VanDerWaalsContact O-N 3.09Å; N289-R292 PolarHBondContact O-N 2.84Å; S290-R292 VanDerWaalsContact C-N 3.34Å; S290-R292 PolarHBondContact O-N 3.24Å; R292-V294 PolarHBondContact O-N 3.29Å; R292-T295 PolarHBondContact O-N 3.35Å; R292-E296 HydrophobicContact CG-CG 4.33Å; R292-E296 IonicContact CZ-OE1 3.79Å; R292-E296 IonicContact CZ-OE2 3.42Å; R292-E296 IonicContact NE-OE1 2.77Å; R292-E296 PolarHBondContact NE-OE1 3.2Å; R292-E296 IonicContact NE-OE2 3.91Å; R292-E296 PolarHBondContact NE-OE2 3.09Å; R292-E296 IonicContact NH2-OE1 2.63Å; R292-E296 PolarHBondContact NH2-OE1 3.44Å; R292-E296 IonicContact NH2-OE2 3.75Å; R292-E296 PolarHBondContact NH2-OE2 2.91Å; R292-E296 WeakPolarHBondContact O-CB 3.36Å; R292-E296 WeakPolarHBondContact O-CG 3.28Å; R292-E296 PolarHBondContact O-N 2.65Å; R292-T344 PolarHBondContact NH1-OG1 3.14Å; R292-T344 PolarHBondContact NH2-O 3.29Å
293A95.2Very high94.8Very high29 Ų2943.4 Ų43.424%0.2424%0.242CC..Hα-helixtrans-59.4-46.4-177.400000111.7N289 S290 T295 N297N289-A293 WeakPolarHBondContact O-CB 3.15Å; N289-A293 PolarHBondContact O-N 3.44Å; S290-A293 PolarHBondContact O-N 2.9Å; A293-T295 PolarHBondContact O-N 3.13Å; A293-N297 WeakPolarHBondContact O-CB 3.38Å; A293-N297 PolarHBondContact O-N 3.42Å
294V98.2Very high94.8Very high0 Ų044.3 Ų44.30%025%0.247CC..Hα-helixtrans-60-46.9175.7171.20000111.6P215 S290 R292 N297 H298 L304 P305 I307 D324P215-V294 HydrophobicContact CB-CB 4.46Å; P215-V294 HydrophobicContact CB-CG1 3.82Å; P215-V294 HydrophobicContact CG-CB 4.12Å; P215-V294 HydrophobicContact CG-CG1 4Å; S290-V294 WeakPolarHBondContact O-CG2 3.06Å; S290-V294 PolarHBondContact O-N 3.4Å; R292-V294 PolarHBondContact O-N 3.29Å; V294-N297 PolarHBondContact O-N 2.96Å; V294-H298 WeakPolarHBondContact O-CB 3.13Å; V294-H298 PolarHBondContact O-CD2 2.95Å; V294-H298 PolarHBondContact O-N 3.11Å; V294-L304 HydrophobicContact CG1-CB 3.96Å; V294-L304 HydrophobicContact CG1-CD2 4.37Å; V294-P305 HydrophobicContact CG1-CG 3.82Å; V294-I307 HydrophobicContact CG2-CG1 4.5Å; V294-D324 HydrophobicContact CG2-CB 3.91Å
295T95.8Very high95Very high6 Ų645.3 Ų45.34%0.03725%0.254CS..Hα-helixtrans-71-36.2-175.1-51.10000112.4Y211 R213 M291 R292 A293 N299 L304Y211-T295 VanDerWaalsContact CB-CG2 3.48Å; Y211-T295 HydrophobicContact CD1-CG2 4.05Å; Y211-T295 HydrophobicContact CG-CG2 3.78Å; R213-T295 HydrophobicContact CG-CG2 4Å; M291-T295 WeakPolarHBondContact O-CB 3.4Å; M291-T295 PolarHBondContact O-N 3.32Å; M291-T295 PolarHBondContact O-OG1 2.79Å; R292-T295 PolarHBondContact O-N 3.35Å; A293-T295 PolarHBondContact O-N 3.13Å; T295-N299 WeakPolarHBondContact O-CA 2.99Å; T295-N299 WeakPolarHBondContact O-CB 3.4Å; T295-N299 PolarHBondContact O-N 3.23Å; T295-L304 HydrophobicContact CG2-CD1 4.4Å
296E93.6Very high95.2Very high67 Ų6748 Ų4831%0.31326%0.264SS..Hα-helixtrans-69.6-40.9175.2-72.3-179.6-178.900111.6Y211 R292Y211-E296 HydrophobicContact CE1-CG 3.66Å; Y211-E296 PolarHBondContact OH-OE1 3.42Å; R292-E296 HydrophobicContact CG-CG 4.33Å; R292-E296 IonicContact CZ-OE1 3.79Å; R292-E296 IonicContact CZ-OE2 3.42Å; R292-E296 IonicContact NE-OE1 2.77Å; R292-E296 PolarHBondContact NE-OE1 3.2Å; R292-E296 IonicContact NE-OE2 3.91Å; R292-E296 PolarHBondContact NE-OE2 3.09Å; R292-E296 IonicContact NH2-OE1 2.63Å; R292-E296 PolarHBondContact NH2-OE1 3.44Å; R292-E296 IonicContact NH2-OE2 3.75Å; R292-E296 PolarHBondContact NH2-OE2 2.91Å; R292-E296 WeakPolarHBondContact O-CB 3.36Å; R292-E296 WeakPolarHBondContact O-CG 3.28Å; R292-E296 PolarHBondContact O-N 2.65Å
297N95.4Very high95.2Very high79 Ų7947.8 Ų47.842%0.42226%0.262SS..Hα-helixtrans-75-34.3-177.9-169.667.7000113.5A293 V294A293-N297 WeakPolarHBondContact O-CB 3.38Å; A293-N297 PolarHBondContact O-N 3.42Å; V294-N297 PolarHBondContact O-N 2.96Å
298H96Very high95.2Very high35 Ų3550.4 Ų50.416%0.16228%0.275CS..THydrogen-bonded Turntrans-108.428.2-176.5-64.3-83.8000112.5V294 N300 D301 L304 F325V294-H298 WeakPolarHBondContact O-CB 3.13Å; V294-H298 PolarHBondContact O-CD2 2.95Å; V294-H298 PolarHBondContact O-N 3.11Å; H298-N300 PolarHBondContact O-N 2.98Å; H298-D301 HydrophobicContact CB-CB 4.17Å; H298-D301 IonicContact CE1-OD2 2.88Å; H298-D301 IonicContact CG-OD2 3.77Å; H298-D301 IonicContact ND1-OD2 3.2Å; H298-D301 PolarHBondContact ND1-OD2 3.22Å; H298-D301 PolarHBondContact O-N 3.02Å; H298-D301 VanDerWaalsContact O-N 3.07Å; H298-L304 HydrophobicContact CB-CD2 3.63Å; H298-F325 PolarHBondContact CD2-O 3.3Å; H298-F325 PolarHBondContact NE2-O 3.35Å
299N89.9Confident95.5Very high98 Ų9849 Ų4952%0.52427%0.268SS..THydrogen-bonded Turntrans-59.9-31.4-175.463.8-6.3000113.7T295T295-N299 WeakPolarHBondContact O-CA 2.99Å; T295-N299 WeakPolarHBondContact O-CB 3.4Å; T295-N299 PolarHBondContact O-N 3.23Å
300N91.1Very high95.7Very high148 Ų14848.7 Ų48.779%0.79127%0.267SS*.THydrogen-bonded Turntrans-90.8-5.7179.4-64-41.5000113.3H298H298-N300 PolarHBondContact O-N 2.98Å
301D92.5Very high95.7Very high72 Ų7248.3 Ų48.339%0.38526%0.264SS..SBendtrans-86.9143.5-176.1-65.1-12.8000111.2R213 H298 H303R213-D301 PolarHBondContact NH1-O 3.22Å; H298-D301 HydrophobicContact CB-CB 4.17Å; H298-D301 IonicContact CE1-OD2 2.88Å; H298-D301 IonicContact CG-OD2 3.77Å; H298-D301 IonicContact ND1-OD2 3.2Å; H298-D301 PolarHBondContact ND1-OD2 3.22Å; H298-D301 PolarHBondContact O-N 3.02Å; H298-D301 VanDerWaalsContact O-N 3.07Å; D301-H303 WeakPolarHBondContact CB-O 3.09Å; D301-H303 PolarHBondContact O-N 3.35Å
302G90.7Very high95.8Very high78 Ų7849.9 Ų49.980%0.80427%0.274SS*.SBendtrans-61.3-33.8177.700000112.7R213R213-G302 PolarHBondContact NH2-O 2.96Å; R213-G302 VanDerWaalsContact NH2-O 3.08Å
303H93.4Very high95.9Very high144 Ų14448.3 Ų48.367%0.66727%0.269SS*.SBendtrans-126.7148.8178.267.5-75.1000110.4D301D301-H303 WeakPolarHBondContact CB-O 3.09Å; D301-H303 PolarHBondContact O-N 3.35Å
304L97.8Very high96Very high18 Ų1847.5 Ų47.59%0.09426%0.263CS..PPolyproline II helixtrans-95.4135.8173-62.6178.6000109R213 P215 V294 T295 H298R213-L304 HydrophobicContact CG-CD1 4.01Å; P215-L304 HydrophobicContact CB-CB 4.01Å; P215-L304 HydrophobicContact CB-CD1 4.37Å; V294-L304 HydrophobicContact CG1-CB 3.96Å; V294-L304 HydrophobicContact CG1-CD2 4.37Å; T295-L304 HydrophobicContact CG2-CD1 4.4Å; H298-L304 HydrophobicContact CB-CD2 3.63Å
305P98Very high95.8Very high28 Ų2851.9 Ų51.918%0.18229%0.292CS..PPolyproline II helixtrans-62.1143172.126.8-34.3000110.7P215 V294 F325P215-P305 VanDerWaalsContact CB-O 3.31Å; P215-P305 WeakPolarHBondContact CB-O 3.25Å; V294-P305 HydrophobicContact CG1-CG 3.82Å; P305-F325 HydrophobicContact CB-CB 3.85Å; P305-F325 HydrophobicContact CB-CD2 4.43Å; P305-F325 HydrophobicContact CB-CG 4.44Å; P305-F325 HydrophobicContact CG-CB 3.79Å
306R98.4Very high95.8Very high68 Ų6858.2 Ų58.226%0.25732%0.321SS..PPolyproline II helixtrans-76.6147.5-177.4-58.5175.366.474.7-0.1110.7G216 C217 D218 D262G216-R306 WeakPolarHBondContact O-CA 3.35Å; C217-R306 VanDerWaalsContact C-NH2 3.33Å; C217-R306 PolarHBondContact O-NH2 3.33Å; D218-R306 IonicContact OD1-CZ 3.09Å; D218-R306 IonicContact OD1-NE 2.64Å; D218-R306 PolarHBondContact OD1-NE 2.85Å; D218-R306 IonicContact OD1-NH2 3.62Å; D218-R306 PolarHBondContact OD1-NH2 3.32Å; D218-R306 WeakPolarHBondContact OD2-CD 3.03Å; D218-R306 IonicContact OD2-CZ 3.94Å; D218-R306 IonicContact OD2-NE 2.72Å; D218-R306 PolarHBondContact OD2-NE 3.33Å; D262-R306 PolarHBondContact O-NH1 3.42Å; D262-R306 VanDerWaalsContact O-NH1 3.13Å; D262-R306 PolarHBondContact O-NH2 2.99Å; D262-R306 IonicContact OD1-CZ 2.84Å; D262-R306 IonicContact OD1-NH1 3.62Å; D262-R306 PolarHBondContact OD1-NH1 3.15Å; D262-R306 IonicContact OD2-NH1 3.93Å; D262-R306 PolarHBondContact OD2-NH1 3.35Å
307I98.8Very high96Very high0 Ų056.6 Ų56.60%032%0.315CS..EExtended strand (participates in β ladder)trans-82.4135.6170.1-63.4169.5000108.5P215 G216 C217 D218 L287 M291 V294 I322 T323 D324P215-I307 HydrophobicContact CG-CD1 3.85Å; P215-I307 HydrophobicContact CG-CG1 4.19Å; G216-I307 PolarHBondContact O-N 2.81Å; C217-I307 CarbonylContact C-O 3.58Å; C217-I307 WeakPolarHBondContact CA-O 3.49Å; C217-I307 PolarHBondContact SG-O 2.87Å; C217-I307 VanDerWaalsContact SG-O 3.34Å; D218-I307 PolarHBondContact N-O 3Å; L287-I307 HydrophobicContact CD2-CG2 4.05Å; M291-I307 HydrophobicContact CB-CD1 4.34Å; M291-I307 HydrophobicContact CG-CD1 3.51Å; V294-I307 HydrophobicContact CG2-CG1 4.5Å; I307-I322 HydrophobicContact CG2-CG2 3.78Å; I307-T323 WeakPolarHBondContact CA-O 3.39Å; I307-D324 HydrophobicContact CG1-CB 4.34Å
308H98.8Very high96.2Very high55 Ų5552.9 Ų52.926%0.25530%0.295SS..EExtended strand (participates in β ladder)trans-108.9125.3177-179.3-118.6000111.1D218 E220 I322 T323D218-H308 CarbonylContact O-C 3.47Å; D218-H308 WeakPolarHBondContact O-CA 3.43Å; D218-H308 PolarHBondContact O-CD2 3.26Å; E220-H308 IonicContact OE2-NE2 3.73Å; H308-I322 CarbonylContact O-C 3.58Å; H308-I322 WeakPolarHBondContact O-CA 3.3Å; H308-T323 PolarHBondContact N-O 2.62Å; H308-T323 PolarHBondContact O-N 2.81Å
309I98.9Very high96.3Very high0 Ų052.8 Ų52.80%030%0.297CS..EExtended strand (participates in β ladder)trans-111.2119173.6-52.5-179.9000108.6A196 D218 I219 E220 L287 I311 I320 K321 I322A196-I309 HydrophobicContact CB-CD1 4.34Å; D218-I309 PolarHBondContact O-N 3.2Å; I219-I309 CarbonylContact C-O 3.55Å; I219-I309 VanDerWaalsContact CA-O 3.3Å; I219-I309 WeakPolarHBondContact CA-O 3.3Å; I219-I309 HydrophobicContact CB-CB 4.45Å; I219-I309 HydrophobicContact CD1-CD1 4.12Å; I219-I309 HydrophobicContact CG1-CB 4.14Å; I219-I309 HydrophobicContact CG1-CD1 4.08Å; I219-I309 HydrophobicContact CG1-CG1 4.39Å; I219-I309 HydrophobicContact CG2-CB 4.24Å; I219-I309 HydrophobicContact CG2-CG2 4.36Å; E220-I309 PolarHBondContact N-O 2.91Å; L287-I309 HydrophobicContact CD1-CD1 4.14Å; L287-I309 HydrophobicContact CD2-CD1 3.83Å; L287-I309 HydrophobicContact CD2-CG1 4.38Å; L287-I309 HydrophobicContact CG-CD1 4.47Å; I309-I311 HydrophobicContact CG2-CG1 4.03Å; I309-I320 HydrophobicContact CG2-CG2 3.85Å; I309-K321 CarbonylContact C-O 3.58Å; I309-K321 WeakPolarHBondContact CA-O 3.43Å; I309-I322 HydrophobicContact CG1-CG1 4.23Å; I309-I322 HydrophobicContact CG1-CG2 4.47Å; I309-I322 HydrophobicContact CG2-CG1 4.32Å
310L98.7Very high96.7Very high51 Ų5148.1 Ų48.127%0.26727%0.272SS..EExtended strand (participates in β ladder)trans-106.2119.4172.5175.868.5000109.2E220 Y222 I320 K321E220-L310 HydrophobicContact CB-CD1 4.3Å; E220-L310 WeakPolarHBondContact O-CA 3.21Å; Y222-L310 HydrophobicContact CD2-CD1 3.2Å; Y222-L310 HydrophobicContact CE2-CD1 3.3Å; Y222-L310 HydrophobicContact CG-CD1 4.34Å; L310-I320 CarbonylContact O-C 3.52Å; L310-I320 WeakPolarHBondContact O-CA 3.24Å; L310-K321 HydrophobicContact CB-CB 4.25Å; L310-K321 PolarHBondContact N-O 3.26Å; L310-K321 PolarHBondContact O-N 2.87Å
311I98.6Very high97.1Very high0 Ų044.6 Ų44.60%025%0.249CC..EExtended strand (participates in β ladder)trans-108.1117.9175.5-57176.4000108.2P192 V193 A196 I219 E220 I221 Y222 I270 I309 I320P192-I311 HydrophobicContact CB-CD1 4.33Å; P192-I311 HydrophobicContact CB-CG2 4.12Å; P192-I311 HydrophobicContact CG-CG2 3.8Å; V193-I311 HydrophobicContact CB-CD1 4.03Å; A196-I311 HydrophobicContact CB-CD1 4.26Å; I219-I311 HydrophobicContact CG2-CD1 4.01Å; I219-I311 HydrophobicContact CG2-CG1 4.47Å; E220-I311 PolarHBondContact O-N 3.23Å; I221-I311 CarbonylContact C-O 3.52Å; I221-I311 WeakPolarHBondContact CA-O 3.42Å; I221-I311 HydrophobicContact CG1-CB 4.13Å; I221-I311 HydrophobicContact CG1-CD1 4.24Å; I221-I311 HydrophobicContact CG2-CB 4.25Å; I221-I311 HydrophobicContact CG2-CG2 4.27Å; Y222-I311 PolarHBondContact N-O 3.09Å; I270-I311 HydrophobicContact CD1-CG2 3.72Å; I270-I311 HydrophobicContact CG1-CG2 4.45Å; I309-I311 HydrophobicContact CG2-CG1 4.03Å; I311-I320 HydrophobicContact CG1-CG1 4.31Å; I311-I320 HydrophobicContact CG1-CG2 4.21Å; I311-I320 HydrophobicContact CG2-CG1 4.34Å
312C97.9Very high97.4Very high32 Ų3241.2 Ų41.222%0.21623%0.231CC..EExtended strand (participates in β ladder)trans-117.2122.1-179.6-172.50000111Y222 C224 G314 I318 V319Y222-C312 WeakPolarHBondContact O-CA 3.37Å; C224-C312 VanDerWaalsContact SG-SG 3.65Å; C312-G314 PolarHBondContact O-N 2.99Å; C312-I318 WeakPolarHBondContact O-CA 3.33Å; C312-V319 PolarHBondContact N-O 3.47Å; C312-V319 PolarHBondContact O-N 3.3Å
313N97Very high97.8Very high7 Ų738.5 Ų38.54%0.03720%0.199CC..EExtended strand (participates in β ladder)trans-85.494.1166.1-174.830.7000108.9Y222 D223 C224 I270 I318 R430Y222-N313 PolarHBondContact O-N 3.02Å; D223-N313 PolarHBondContact OD1-ND2 3.3Å; C224-N313 WeakPolarHBondContact CA-O 3.41Å; C224-N313 VanDerWaalsContact CB-O 3.27Å; C224-N313 WeakPolarHBondContact CB-O 3.34Å; C224-N313 PolarHBondContact N-O 3.35Å; I270-N313 HydrophobicContact CB-CB 4.47Å; I270-N313 HydrophobicContact CD1-CB 3.68Å; I270-N313 HydrophobicContact CG2-CB 4.1Å; N313-I318 HydrophobicContact CB-CD1 4.1Å; N313-I318 WeakPolarHBondContact OD1-CD1 3.38Å; N313-R430 VanDerWaalsContact OD1-CD 3.27Å; N313-R430 WeakPolarHBondContact OD1-CD 3.44Å; N313-R430 PolarHBondContact OD1-NE 2.87Å
314G96.1Very high98Very high11 Ų1132 Ų3211%0.11317%0.169CC..  trans-83.2169.6173.800000112.5V225 C312 E316 D317 R430V225-G314 WeakPolarHBondContact CG2-O 3.13Å; C312-G314 PolarHBondContact O-N 2.99Å; G314-E316 VanDerWaalsContact C-N 3.34Å; G314-E316 PolarHBondContact O-N 3.16Å; G314-D317 VanDerWaalsContact CA-O 3.27Å; G314-D317 WeakPolarHBondContact CA-O 3.47Å; G314-D317 PolarHBondContact N-O 3.23Å; G314-R430 WeakPolarHBondContact O-CD 3.48Å
315P94.9Very high98Very high93 Ų9336.1 Ų36.160%0.60419%0.186SC*.SBendtrans-61.5-39.4177.323.1-32.3000113.3R430P315-R430 PolarHBondContact O-NH1 2.87Å
316E95.8Very high98Very high138 Ų13835.2 Ų35.265%0.64518%0.183SC*.SBendtrans-104.3-39.7-176-64.1-178.4-176.300113.1G314 R430G314-E316 VanDerWaalsContact C-N 3.34Å; G314-E316 PolarHBondContact O-N 3.16Å; E316-R430 WeakPolarHBondContact O-CB 3.41Å; E316-R430 PolarHBondContact O-N 2.86Å
317D97.5Very high97.9Very high34 Ų3432.4 Ų32.418%0.18218%0.175CC..EExtended strand (participates in β ladder)trans-127.6147-174-58.2-58.6000112G314 V319 L428 K429G314-D317 VanDerWaalsContact CA-O 3.27Å; G314-D317 WeakPolarHBondContact CA-O 3.47Å; G314-D317 PolarHBondContact N-O 3.23Å; D317-V319 HydrophobicContact CB-CG2 4.18Å; D317-L428 CarbonylContact C-O 3.54Å; D317-L428 WeakPolarHBondContact CA-O 3.48Å; D317-L428 WeakPolarHBondContact CB-O 3.34Å; D317-K429 IonicContact OD1-NZ 3.78Å; D317-K429 PolarHBondContact OD1-NZ 3.45Å
318I98.4Very high97.7Very high0 Ų033.5 Ų33.50%019%0.186CC..EExtended strand (participates in β ladder)trans-84.1123.3157.5-55.9-57.3000107.3I270 F272 C312 N313 I320 L428 R430I270-I318 HydrophobicContact CD1-CD1 4.34Å; F272-I318 HydrophobicContact CB-CG1 4.29Å; F272-I318 HydrophobicContact CD1-CG1 4.14Å; F272-I318 HydrophobicContact CD2-CG1 3.7Å; F272-I318 HydrophobicContact CE1-CG1 4.41Å; F272-I318 HydrophobicContact CE2-CB 4.39Å; F272-I318 HydrophobicContact CE2-CG1 3.96Å; F272-I318 HydrophobicContact CG-CD1 4.43Å; F272-I318 HydrophobicContact CG-CG1 3.79Å; F272-I318 HydrophobicContact CZ-CG1 4.33Å; F272-I318 HydrophobicContact CZ-CG2 4.49Å; C312-I318 WeakPolarHBondContact O-CA 3.33Å; N313-I318 HydrophobicContact CB-CD1 4.1Å; N313-I318 WeakPolarHBondContact OD1-CD1 3.38Å; I318-I320 HydrophobicContact CG2-CG1 4.44Å; I318-L428 HydrophobicContact CB-CB 4.38Å; I318-L428 PolarHBondContact N-O 2.94Å; I318-L428 PolarHBondContact O-N 3.13Å; I318-R430 HydrophobicContact CD1-CB 4.31Å; I318-R430 HydrophobicContact CD1-CG 4.05Å; I318-R430 HydrophobicContact CG1-CB 4.25Å; I318-R430 HydrophobicContact CG1-CG 4.41Å
319V98.7Very high97.5Very high34 Ų3433.1 Ų33.121%0.20619%0.185CC..EExtended strand (participates in β ladder)trans-116.4125.8179.5-175.70000109.8C312 D317 I426 Y427C312-V319 PolarHBondContact N-O 3.47Å; C312-V319 PolarHBondContact O-N 3.3Å; D317-V319 HydrophobicContact CB-CG2 4.18Å; V319-I426 CarbonylContact C-O 3.54Å; V319-I426 VanDerWaalsContact CA-O 3.31Å; V319-I426 WeakPolarHBondContact CA-O 3.2Å; V319-Y427 HydrophobicContact CG1-CD1 4.39Å; V319-Y427 HydrophobicContact CG1-CE1 4.23Å; V319-Y427 HydrophobicContact CG2-CD1 3.7Å; V319-Y427 HydrophobicContact CG2-CE1 3.95Å
320I98.9Very high97.2Very high0 Ų034.1 Ų34.10%019%0.193CC..EExtended strand (participates in β ladder)trans-116.1117.4175.3-54.2172.3000108.3P192 L279 L283 I309 L310 I311 I318 I322 I426P192-I320 HydrophobicContact CB-CD1 4.07Å; L279-I320 HydrophobicContact CD1-CD1 3.73Å; L279-I320 HydrophobicContact CD2-CD1 4.48Å; L283-I320 HydrophobicContact CD1-CD1 4.43Å; L283-I320 HydrophobicContact CD2-CD1 4.24Å; L283-I320 HydrophobicContact CD2-CG2 3.87Å; I309-I320 HydrophobicContact CG2-CG2 3.85Å; L310-I320 CarbonylContact O-C 3.52Å; L310-I320 WeakPolarHBondContact O-CA 3.24Å; I311-I320 HydrophobicContact CG1-CG1 4.31Å; I311-I320 HydrophobicContact CG1-CG2 4.21Å; I311-I320 HydrophobicContact CG2-CG1 4.34Å; I318-I320 HydrophobicContact CG2-CG1 4.44Å; I320-I322 HydrophobicContact CG2-CG1 4.38Å; I320-I426 HydrophobicContact CB-CB 4.35Å; I320-I426 HydrophobicContact CB-CD1 4.43Å; I320-I426 PolarHBondContact N-O 3.19Å; I320-I426 PolarHBondContact O-N 3.3Å
321K98.8Very high96.8Very high73 Ų7338.4 Ų38.432%0.31722%0.215SC..EExtended strand (participates in β ladder)trans-108.3116.9176.5-179.6-175179.2-169.50109.8I309 L310 T323 S423 A424 L425I309-K321 CarbonylContact C-O 3.58Å; I309-K321 WeakPolarHBondContact CA-O 3.43Å; L310-K321 HydrophobicContact CB-CB 4.25Å; L310-K321 PolarHBondContact N-O 3.26Å; L310-K321 PolarHBondContact O-N 2.87Å; K321-T323 WeakPolarHBondContact CE-OG1 3Å; K321-S423 WeakPolarHBondContact CE-OG 3.46Å; K321-A424 CarbonylContact C-O 3.52Å; K321-A424 VanDerWaalsContact CA-O 3.26Å; K321-A424 WeakPolarHBondContact CA-O 3.45Å; K321-L425 HydrophobicContact CB-CG 4.21Å; K321-L425 HydrophobicContact CD-CD1 4.3Å; K321-L425 HydrophobicContact CG-CD1 3.99Å; K321-L425 HydrophobicContact CG-CG 4.08Å
322I98.9Very high96.2Very high1 Ų142.6 Ų42.61%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-102.9122.8172.7-56.7174.7000107.8L283 L286 L287 I307 H308 I309 I320 S423 A424L283-I322 HydrophobicContact CD2-CD1 3.79Å; L286-I322 HydrophobicContact CB-CD1 3.67Å; L286-I322 HydrophobicContact CD1-CD1 3.89Å; L286-I322 HydrophobicContact CG-CD1 4.46Å; L287-I322 HydrophobicContact CD2-CG2 4.18Å; L287-I322 HydrophobicContact CG-CD1 4.35Å; I307-I322 HydrophobicContact CG2-CG2 3.78Å; H308-I322 CarbonylContact O-C 3.58Å; H308-I322 WeakPolarHBondContact O-CA 3.3Å; I309-I322 HydrophobicContact CG1-CG1 4.23Å; I309-I322 HydrophobicContact CG1-CG2 4.47Å; I309-I322 HydrophobicContact CG2-CG1 4.32Å; I320-I322 HydrophobicContact CG2-CG1 4.38Å; I322-S423 CarbonylContact O-C 3.58Å; I322-S423 VanDerWaalsContact O-CA 3.26Å; I322-S423 WeakPolarHBondContact O-CA 3.25Å; I322-A424 PolarHBondContact N-O 3.2Å; I322-A424 PolarHBondContact O-N 3.26Å
323T98.8Very high95.8Very high22 Ų2243.5 Ų43.514%0.13524%0.24CC..EExtended strand (participates in β ladder)trans-121.8125.1-179.2-510000109.7I307 H308 K321 T422 S423I307-T323 WeakPolarHBondContact CA-O 3.39Å; H308-T323 PolarHBondContact N-O 2.62Å; H308-T323 PolarHBondContact O-N 2.81Å; K321-T323 WeakPolarHBondContact CE-OG1 3Å; T323-T422 WeakPolarHBondContact CA-O 3.35Å; T323-S423 WeakPolarHBondContact CG2-OG 3.41Å; T323-S423 PolarHBondContact OG1-OG 3.09Å
324D98.5Very high95.5Very high8 Ų844 Ų444%0.04324%0.243CC..  trans-112.3165.3170.36668.6000111.6S290 V294 I307 G326 G421 T422S290-D324 WeakPolarHBondContact CB-OD2 3.07Å; S290-D324 PolarHBondContact OG-OD2 2.94Å; V294-D324 HydrophobicContact CG2-CB 3.91Å; I307-D324 HydrophobicContact CG1-CB 4.34Å; D324-G326 WeakPolarHBondContact OD1-CA 3.43Å; D324-G326 PolarHBondContact OD1-N 2.99Å; D324-G421 WeakPolarHBondContact O-CA 3.36Å; D324-T422 PolarHBondContact N-O 2.97Å; D324-T422 PolarHBondContact O-N 3.18Å; D324-T422 PolarHBondContact OD1-N 3.06Å
325F98.1Very high94.9Very high103 Ų10348.4 Ų48.445%0.45226%0.261SS..  trans-112.649.2167.1-70.7-86.1000109.4H298 P305 G327 V420H298-F325 PolarHBondContact CD2-O 3.3Å; H298-F325 PolarHBondContact NE2-O 3.35Å; P305-F325 HydrophobicContact CB-CB 3.85Å; P305-F325 HydrophobicContact CB-CD2 4.43Å; P305-F325 HydrophobicContact CB-CG 4.44Å; P305-F325 HydrophobicContact CG-CB 3.79Å; F325-G327 VanDerWaalsContact C-N 3.3Å; F325-G327 PolarHBondContact O-N 2.92Å; F325-V420 CarbonylContact C-O 3.59Å; F325-V420 VanDerWaalsContact C-O 3.24Å; F325-V420 VanDerWaalsContact CA-O 3.27Å; F325-V420 WeakPolarHBondContact CA-O 3.3Å; F325-V420 HydrophobicContact CD1-CG1 4.07Å; F325-V420 HydrophobicContact CE1-CG1 4.19Å
326G97.3Very high94.5Very high10 Ų1047.4 Ų47.410%0.10325%0.247CC..SBendtrans-89.425.9-175.600000115D324 G328D324-G326 WeakPolarHBondContact OD1-CA 3.43Å; D324-G326 PolarHBondContact OD1-N 2.99Å; G326-G328 PolarHBondContact O-N 3.1Å
327G95.7Very high94.2Very high9 Ų942.2 Ų42.29%0.09322%0.224CC..BIsolated β-bridgetrans81.4-12.3-179.800000115.2F325 G419 V420F325-G327 VanDerWaalsContact C-N 3.3Å; F325-G327 PolarHBondContact O-N 2.92Å; G327-G419 CarbonylContact O-C 3.59Å; G327-G419 VanDerWaalsContact O-CA 3.28Å; G327-G419 WeakPolarHBondContact O-CA 3.4Å; G327-G419 PolarHBondContact O-N 3.33Å; G327-V420 PolarHBondContact N-O 2.91Å; G327-V420 PolarHBondContact O-N 2.97Å
328G96.1Very high93.9Very high23 Ų2341.5 Ų41.524%0.23722%0.22CC..  trans64.6-168172.200000115.1G326 S416G326-G328 PolarHBondContact O-N 3.1Å; G328-S416 VanDerWaalsContact CA-OG 3.26Å; G328-S416 WeakPolarHBondContact CA-OG 3.18Å
329M94.2Very high93.5Very high47 Ų4746.3 Ų46.323%0.23224%0.238CC..  trans-143.1142.9-171.9-66179.6-69.900110.6M333 V334 T337 L414 S416 T422M329-M333 HydrophobicContact CB-CB 4.27Å; M329-V334 HydrophobicContact CB-CG2 4.06Å; M329-V334 HydrophobicContact CE-CG2 4.32Å; M329-T337 HydrophobicContact SD-CG2 4.47Å; M329-L414 HydrophobicContact CE-CD1 4.21Å; M329-S416 PolarHBondContact N-OG 3.29Å; M329-T422 HydrophobicContact CE-CG2 4.21Å
330A93.3Very high93.1Very high20 Ų2044.8 Ų44.817%0.16523%0.228CC..  trans-58.3148.3166.800000111.2N332 M333 V334 E418A330-N332 VanDerWaalsContact C-N 3.29Å; A330-N332 WeakPolarHBondContact CB-OD1 3.31Å; A330-N332 PolarHBondContact O-N 2.88Å; A330-M333 HydrophobicContact CB-CG 4.21Å; A330-M333 WeakPolarHBondContact O-CA 3.38Å; A330-M333 WeakPolarHBondContact O-CB 3.2Å; A330-M333 PolarHBondContact O-N 3.48Å; A330-V334 PolarHBondContact O-N 3.16Å; A330-V334 VanDerWaalsContact O-N 3.16Å; A330-E418 WeakPolarHBondContact CB-OE2 3.35Å
331L89Confident92.5Very high141 Ų14146.2 Ų46.274%0.73824%0.236SC*.Hα-helixtrans-54.1-42.3-175179.962000113.4M333 V334 E335L331-M333 PolarHBondContact O-N 3.46Å; L331-V334 WeakPolarHBondContact O-CB 3.28Å; L331-V334 PolarHBondContact O-N 3.41Å; L331-E335 PolarHBondContact O-N 3.44Å
332N86.9Confident91.8Very high89 Ų8945.8 Ų45.848%0.47623%0.233SC..Hα-helixtrans-66.3-21.4178.268.6-20000113.5A330 K336A330-N332 VanDerWaalsContact C-N 3.29Å; A330-N332 WeakPolarHBondContact CB-OD1 3.31Å; A330-N332 PolarHBondContact O-N 2.88Å; N332-K336 WeakPolarHBondContact O-CD 3.45Å; N332-K336 WeakPolarHBondContact O-CG 3.47Å
333M89.2Confident91Very high51 Ų5148.7 Ų48.725%0.25125%0.251SS..Hα-helixtrans-83.3-37.5176.1-59.3-50.8-60.800110.5M329 A330 L331 E335 K336 T337 Y342M329-M333 HydrophobicContact CB-CB 4.27Å; A330-M333 HydrophobicContact CB-CG 4.21Å; A330-M333 WeakPolarHBondContact O-CA 3.38Å; A330-M333 WeakPolarHBondContact O-CB 3.2Å; A330-M333 PolarHBondContact O-N 3.48Å; L331-M333 PolarHBondContact O-N 3.46Å; M333-E335 VanDerWaalsContact C-N 3.28Å; M333-E335 PolarHBondContact O-N 3.36Å; M333-K336 HydrophobicContact CE-CD 4.32Å; M333-K336 CarbonylContact O-C 3.54Å; M333-K336 WeakPolarHBondContact O-CA 3.43Å; M333-K336 WeakPolarHBondContact O-CB 3.21Å; M333-K336 PolarHBondContact O-N 3.45Å; M333-K336 HydrophobicContact SD-CD 4.11Å; M333-T337 PolarHBondContact O-N 3.48Å; M333-T337 PolarHBondContact O-OG1 3.38Å; M333-Y342 HydrophobicContact CE-CE2 3.86Å; M333-Y342 WeakPolarHBondContact CE-OH 3.26Å
334V89.5Confident90.1Very high17 Ų1751.4 Ų51.410%0.10327%0.268CS..Hα-helixtrans-53.7-45.6175.9-178.40000111.3M329 A330 L331 K336 T337 L414M329-V334 HydrophobicContact CB-CG2 4.06Å; M329-V334 HydrophobicContact CE-CG2 4.32Å; A330-V334 PolarHBondContact O-N 3.16Å; A330-V334 VanDerWaalsContact O-N 3.16Å; L331-V334 WeakPolarHBondContact O-CB 3.28Å; L331-V334 PolarHBondContact O-N 3.41Å; V334-K336 VanDerWaalsContact C-N 3.3Å; V334-K336 PolarHBondContact O-N 3.3Å; V334-T337 PolarHBondContact O-N 3.08Å; V334-L414 HydrophobicContact CG1-CB 3.96Å
335E84.2Confident88.7Confident104 Ų10452 Ų5249%0.48627%0.274SS..Hα-helixtrans-64.3-34.9176.6-66.7-174161.800112.5L331 M333 S463L331-E335 PolarHBondContact O-N 3.44Å; M333-E335 VanDerWaalsContact C-N 3.28Å; M333-E335 PolarHBondContact O-N 3.36Å; E335-S463 VanDerWaalsContact OE1-CB 3.29Å; E335-S463 WeakPolarHBondContact OE1-CB 3.37Å; E335-S463 PolarHBondContact OE1-OG 3Å; E335-S463 WeakPolarHBondContact OE2-CB 3.42Å
336K87.1Confident86.8Confident72 Ų7252.7 Ų52.731%0.31329%0.286SS..Hα-helixtrans-75.3-25.4178.8-69.2173.1-174.5176.30112.9N332 M333 V334 F338 R339 Y342N332-K336 WeakPolarHBondContact O-CD 3.45Å; N332-K336 WeakPolarHBondContact O-CG 3.47Å; M333-K336 HydrophobicContact CE-CD 4.32Å; M333-K336 CarbonylContact O-C 3.54Å; M333-K336 WeakPolarHBondContact O-CA 3.43Å; M333-K336 WeakPolarHBondContact O-CB 3.21Å; M333-K336 PolarHBondContact O-N 3.45Å; M333-K336 HydrophobicContact SD-CD 4.11Å; V334-K336 VanDerWaalsContact C-N 3.3Å; V334-K336 PolarHBondContact O-N 3.3Å; K336-F338 PolarHBondContact O-N 3.13Å; K336-F338 VanDerWaalsContact O-N 3.14Å; K336-R339 VanDerWaalsContact O-CB 3.3Å; K336-R339 WeakPolarHBondContact O-CB 3.31Å; K336-R339 PolarHBondContact O-N 3.34Å; K336-Y342 HydrophobicContact CB-CD1 4.49Å; K336-Y342 HydrophobicContact CB-CD2 4.4Å; K336-Y342 HydrophobicContact CB-CE1 4.48Å; K336-Y342 HydrophobicContact CB-CE2 4.42Å; K336-Y342 HydrophobicContact CB-CG 4.46Å; K336-Y342 VanDerWaalsContact O-CD1 3.29Å; K336-Y342 WeakPolarHBondContact O-CD1 3.41Å
337T89.5Confident84.6Confident28 Ų2857.7 Ų57.717%0.17231%0.306CS..Hα-helixtrans-61.1-25.8-176.8-45.50000112.9M329 M333 V334 L398 L414M329-T337 HydrophobicContact SD-CG2 4.47Å; M333-T337 PolarHBondContact O-N 3.48Å; M333-T337 PolarHBondContact O-OG1 3.38Å; V334-T337 PolarHBondContact O-N 3.08Å; T337-L398 HydrophobicContact CG2-CD2 3.36Å; T337-L414 HydrophobicContact CG2-CD1 4.39Å
338F91.5Very high82.4Confident20 Ų2058.8 Ų58.89%0.08831%0.312CS..THydrogen-bonded Turntrans-87.34.1174-71.4-72.1000114.4K336 L398 P399 R402 L412 L414K336-F338 PolarHBondContact O-N 3.13Å; K336-F338 VanDerWaalsContact O-N 3.14Å; F338-L398 HydrophobicContact CD1-CD2 3.84Å; F338-L398 HydrophobicContact CD1-CG 3.78Å; F338-L398 HydrophobicContact CE1-CD1 4.11Å; F338-L398 HydrophobicContact CE1-CD2 3.74Å; F338-L398 HydrophobicContact CE1-CG 3.56Å; F338-L398 HydrophobicContact CE2-CD2 4.43Å; F338-L398 HydrophobicContact CG-CD2 4.23Å; F338-L398 HydrophobicContact CZ-CD2 4.07Å; F338-L398 HydrophobicContact CZ-CG 4.27Å; F338-P399 WeakPolarHBondContact O-CB 3.41Å; F338-R402 VanDerWaalsContact CB-NH1 3.34Å; F338-R402 HydrophobicContact CD1-CB 4.12Å; F338-R402 HydrophobicContact CE1-CB 3.82Å; F338-R402 HydrophobicContact CE1-CG 4.29Å; F338-R402 VanDerWaalsContact CG-NH1 3.25Å; F338-L412 HydrophobicContact CE1-CD2 4.31Å; F338-L412 HydrophobicContact CE1-CG 4.32Å; F338-L412 HydrophobicContact CZ-CG 4.29Å; F338-L414 HydrophobicContact CE2-CB 4.36Å; F338-L414 HydrophobicContact CE2-CD1 4.27Å; F338-L414 HydrophobicContact CE2-CG 3.95Å; F338-L414 HydrophobicContact CZ-CD1 4.35Å; F338-L414 HydrophobicContact CZ-CG 3.86Å
339R90.3Very high79.9Confident100 Ų10061.8 Ų61.838%0.37734%0.335SS..SBendtrans-79.1134.3173-64.8-177.9-177.2-168.3-2.4109.7Q148 K336 Y342Q148-R339 VanDerWaalsContact OE1-CA 3.3Å; K336-R339 VanDerWaalsContact O-CB 3.3Å; K336-R339 WeakPolarHBondContact O-CB 3.31Å; K336-R339 PolarHBondContact O-N 3.34Å; R339-Y342 WeakPolarHBondContact O-CB 3.5Å; R339-Y342 PolarHBondContact O-N 3.01Å
340Y90Very high77.3Confident2 Ų266 Ų661%0.00836%0.359CS..THydrogen-bonded Turntrans-58.1148.1167.8-61.3-74.1000110.5Q148 L151 D152 Y155 Y342 G395 H396 P399 L403Q148-Y340 PolarHBondContact NE2-O 3.31Å; L151-Y340 HydrophobicContact CB-CD1 4.5Å; L151-Y340 HydrophobicContact CB-CD2 3.36Å; L151-Y340 HydrophobicContact CB-CE1 4.4Å; L151-Y340 HydrophobicContact CB-CE2 3.3Å; L151-Y340 HydrophobicContact CB-CG 4.01Å; L151-Y340 VanDerWaalsContact CD1-CB 3.49Å; L151-Y340 HydrophobicContact CD1-CD1 4.3Å; L151-Y340 HydrophobicContact CD1-CD2 3.42Å; L151-Y340 VanDerWaalsContact CD1-CD2 3.42Å; L151-Y340 HydrophobicContact CD1-CE2 4.26Å; L151-Y340 HydrophobicContact CD1-CG 3.46Å; L151-Y340 VanDerWaalsContact CD1-CG 3.46Å; L151-Y340 HydrophobicContact CG-CD2 4.03Å; L151-Y340 HydrophobicContact CG-CE2 4.42Å; L151-Y340 HydrophobicContact CG-CG 4.36Å; D152-Y340 WeakPolarHBondContact OD1-CE2 3.43Å; D152-Y340 PolarHBondContact OD1-OH 3.37Å; Y155-Y340 HydrophobicContact CD2-CD1 4.41Å; Y155-Y340 AromaticContact CD2-CE1 3.55Å; Y155-Y340 HydrophobicContact CD2-CE1 3.55Å; Y155-Y340 AromaticContact CD2-CZ 3.73Å; Y155-Y340 AromaticContact CE2-CD1 3.95Å; Y155-Y340 HydrophobicContact CE2-CD1 3.95Å; Y155-Y340 AromaticContact CE2-CE1 3.53Å; Y155-Y340 HydrophobicContact CE2-CE1 3.53Å; Y340-Y342 PolarHBondContact O-N 2.78Å; Y340-G395 WeakPolarHBondContact CA-O 3.36Å; Y340-H396 AromaticContact CD1-CE1 3.72Å; Y340-H396 AromaticContact CD1-ND1 3.27Å; Y340-H396 VanDerWaalsContact CD1-ND1 3.27Å; Y340-H396 WeakPolarHBondContact CD1-ND1 3.27Å; Y340-H396 AromaticContact CE1-ND1 3.95Å; Y340-P399 HydrophobicContact CD1-CB 3.96Å; Y340-P399 HydrophobicContact CD1-CG 3.56Å; Y340-P399 HydrophobicContact CE1-CB 3.51Å; Y340-P399 HydrophobicContact CE1-CG 3.56Å; Y340-P399 HydrophobicContact CE2-CB 4.31Å; Y340-P399 HydrophobicContact CG-CG 4.28Å; Y340-L403 VanDerWaalsContact OH-CD1 3.23Å; Y340-L403 WeakPolarHBondContact OH-CD1 3.4Å
341N85.4Confident75Confident30 Ų3067.1 Ų67.116%0.1636%0.362CS..THydrogen-bonded Turntrans64.5-7.3-175.5-68.941.3000116I130 K131 Q134 T343 R394 G395 H396I130-N341 WeakPolarHBondContact CG2-ND2 3.19Å; K131-N341 PolarHBondContact N-ND2 3.2Å; Q134-N341 PolarHBondContact OE1-ND2 3.32Å; N341-T343 PolarHBondContact O-N 2.95Å; N341-R394 WeakPolarHBondContact CA-O 3.46Å; N341-G395 PolarHBondContact N-O 3.22Å; N341-H396 PolarHBondContact OD1-NE2 3.3Å
342Y84.4Confident72.6Confident64 Ų6466 Ų6625%0.25135%0.353SS..  trans-76.7122.5171.7177.4-95.3000110M333 K336 R339 Y340 T344 G395M333-Y342 HydrophobicContact CE-CE2 3.86Å; M333-Y342 WeakPolarHBondContact CE-OH 3.26Å; K336-Y342 HydrophobicContact CB-CD1 4.49Å; K336-Y342 HydrophobicContact CB-CD2 4.4Å; K336-Y342 HydrophobicContact CB-CE1 4.48Å; K336-Y342 HydrophobicContact CB-CE2 4.42Å; K336-Y342 HydrophobicContact CB-CG 4.46Å; K336-Y342 VanDerWaalsContact O-CD1 3.29Å; K336-Y342 WeakPolarHBondContact O-CD1 3.41Å; R339-Y342 WeakPolarHBondContact O-CB 3.5Å; R339-Y342 PolarHBondContact O-N 3.01Å; Y340-Y342 PolarHBondContact O-N 2.78Å; Y342-T344 HydrophobicContact CE1-CG2 4.39Å; Y342-T344 VanDerWaalsContact OH-CG2 3.28Å; Y342-T344 WeakPolarHBondContact OH-CG2 3.26Å; Y342-G395 WeakPolarHBondContact O-CA 3.26Å
343T82Confident70.4Confident63 Ų6365.6 Ų65.639%0.38736%0.355SS..  trans-150.8144.1177.8-170.80000111.5N341 A345N341-T343 PolarHBondContact O-N 2.95Å; T343-A345 WeakPolarHBondContact OG1-CB 2.97Å; T343-A345 PolarHBondContact OG1-N 3.17Å
344T79.8Confident68.2Low79 Ų7967.3 Ų67.349%0.48537%0.368SS..  trans-101.83.6171.460.60000112.2R292 Y342 V346R292-T344 PolarHBondContact NH1-OG1 3.14Å; R292-T344 PolarHBondContact NH2-O 3.29Å; Y342-T344 HydrophobicContact CE1-CG2 4.39Å; Y342-T344 VanDerWaalsContact OH-CG2 3.28Å; Y342-T344 WeakPolarHBondContact OH-CG2 3.26Å; T344-V346 PolarHBondContact O-N 2.83Å
345A69.6Low66.1Low21 Ų2168.3 Ų68.317%0.17437%0.374CS..  trans-7884.4-173.100000111.7T343 H347 S348T343-A345 WeakPolarHBondContact OG1-CB 2.97Å; T343-A345 PolarHBondContact OG1-N 3.17Å; A345-H347 VanDerWaalsContact C-N 3.3Å; A345-H347 PolarHBondContact O-N 3.4Å; A345-S348 PolarHBondContact O-OG 3.41Å
346V58.7Low64.1Low117 Ų11765.6 Ų65.671%0.70936%0.363SS*.G310 helixtrans-64.1-35.8176.6-167.70000111.5T344T344-V346 PolarHBondContact O-N 2.83Å
347H51.2Low61.8Low115 Ų11566.1 Ų66.153%0.53237%0.369SS..G310 helixtrans-86.5-9.9-172.2-72.576.4000114.9A345 A349 N350 L351A345-H347 VanDerWaalsContact C-N 3.3Å; A345-H347 PolarHBondContact O-N 3.4Å; H347-A349 VanDerWaalsContact C-N 3.28Å; H347-A349 PolarHBondContact O-N 2.87Å; H347-N350 PolarHBondContact O-N 3.22Å; H347-N350 VanDerWaalsContact O-N 3.14Å; H347-L351 PolarHBondContact O-N 3.43Å
348S48.2Very low59.6Low31 Ų3166 Ų6622%0.21737%0.366CS..G310 helixtrans-67.5-27.4-176.5610000113.7A345 N350 G393A345-S348 PolarHBondContact O-OG 3.41Å; S348-N350 PolarHBondContact O-N 2.87Å; S348-G393 VanDerWaalsContact OG-CA 3.25Å; S348-G393 WeakPolarHBondContact OG-CA 3.43Å
349A44.7Very low57Low87 Ų8772 Ų7272%0.71939%0.392SS*.G310 helixtrans-68.7-19.6175.700000113.5H347H347-A349 VanDerWaalsContact C-N 3.28Å; H347-A349 PolarHBondContact O-N 2.87Å
350N38.6Very low54.4Low135 Ų13572.6 Ų72.672%0.72240%0.403SS*.G310 helixtrans-106.7-4-175.1-66.4-17.6000113.6H347 S348 H352H347-N350 PolarHBondContact O-N 3.22Å; H347-N350 VanDerWaalsContact O-N 3.14Å; S348-N350 PolarHBondContact O-N 2.87Å; N350-H352 PolarHBondContact O-N 2.8Å
351L45.9Very low51.6Low44 Ų4478.8 Ų78.823%0.2344%0.436CS..SBendtrans-66109.2168.9-73.1160.9000107.1A210 H347 V355A210-L351 HydrophobicContact CB-CD2 3.83Å; H347-L351 PolarHBondContact O-N 3.43Å; L351-V355 HydrophobicContact CD2-CB 4.49Å; L351-V355 HydrophobicContact CD2-CG1 3.8Å
352H38.7Very low49.4Very low118 Ų11881 Ų8155%0.54644%0.443SS..  trans-49.5142.2-178.6-171.2-97.6000109.9N350 T354 V355N350-H352 PolarHBondContact O-N 2.8Å; H352-T354 PolarHBondContact CE1-OG1 3.34Å; H352-T354 VanDerWaalsContact ND1-CB 3.29Å; H352-T354 WeakPolarHBondContact ND1-CB 3.26Å; H352-T354 PolarHBondContact ND1-N 2.84Å; H352-T354 PolarHBondContact ND1-OG1 3.38Å; H352-T354 PolarHBondContact O-N 3.41Å; H352-V355 HydrophobicContact CB-CG2 4.09Å; H352-V355 WeakPolarHBondContact O-CA 3.37Å; H352-V355 VanDerWaalsContact O-CB 3.28Å; H352-V355 WeakPolarHBondContact O-CB 3.36Å; H352-V355 PolarHBondContact O-N 3.16Å
353P40.6Very low46.9Very low80 Ų8082.6 Ų82.652%0.51946%0.463SS..Hα-helixtrans-52.3-27.8179.3-2834.4000113.7V355 L356 N357P353-V355 VanDerWaalsContact C-N 3.34Å; P353-L356 CarbonylContact O-C 3.58Å; P353-L356 PolarHBondContact O-N 2.95Å; P353-N357 WeakPolarHBondContact O-CA 3.49Å; P353-N357 WeakPolarHBondContact O-CB 3.37Å; P353-N357 VanDerWaalsContact O-CG 3.25Å; P353-N357 PolarHBondContact O-N 2.67Å; P353-N357 PolarHBondContact O-ND2 3.41Å
354T41.6Very low44.4Very low86 Ų8685.1 Ų85.153%0.52848%0.479SS..Hα-helixtrans-67.9-26.5172.9-43.80000113.9H352 L356H352-T354 PolarHBondContact CE1-OG1 3.34Å; H352-T354 VanDerWaalsContact ND1-CB 3.29Å; H352-T354 WeakPolarHBondContact ND1-CB 3.26Å; H352-T354 PolarHBondContact ND1-N 2.84Å; H352-T354 PolarHBondContact ND1-OG1 3.38Å; H352-T354 PolarHBondContact O-N 3.41Å; T354-L356 VanDerWaalsContact C-N 3.34Å
355V45.9Very low42.2Very low38 Ų3885.1 Ų85.123%0.2348%0.475CS..Hα-helixtrans-72-31.4173.3-176.70000110.9Q209 L351 H352 P353Q209-V355 HydrophobicContact CB-CG1 4.23Å; L351-V355 HydrophobicContact CD2-CB 4.49Å; L351-V355 HydrophobicContact CD2-CG1 3.8Å; H352-V355 HydrophobicContact CB-CG2 4.09Å; H352-V355 WeakPolarHBondContact O-CA 3.37Å; H352-V355 VanDerWaalsContact O-CB 3.28Å; H352-V355 WeakPolarHBondContact O-CB 3.36Å; H352-V355 PolarHBondContact O-N 3.16Å; P353-V355 VanDerWaalsContact C-N 3.34Å
356L43.3Very low40.2Very low48 Ų4890.4 Ų90.425%0.25150%0.496SS..Hα-helixtrans-89-30.6174.9-63.1171.1000112.2P353 T354 F358 V389 A392P353-L356 CarbonylContact O-C 3.58Å; P353-L356 PolarHBondContact O-N 2.95Å; T354-L356 VanDerWaalsContact C-N 3.34Å; L356-F358 VanDerWaalsContact C-N 3.27Å; L356-F358 PolarHBondContact O-N 3.09Å; L356-V389 HydrophobicContact CB-CG1 3.79Å; L356-V389 HydrophobicContact CD2-CG1 3.81Å; L356-V389 HydrophobicContact CG-CG1 4.38Å; L356-V389 VanDerWaalsContact O-CG1 3.28Å; L356-V389 WeakPolarHBondContact O-CG1 3.48Å; L356-A392 HydrophobicContact CD2-CB 4.43Å
357N37.7Very low38.9Very low83 Ų8389.1 Ų89.144%0.44449%0.492SS..  trans-80.870177.6-77.3-20.9000111.2P353 K359P353-N357 WeakPolarHBondContact O-CA 3.49Å; P353-N357 WeakPolarHBondContact O-CB 3.37Å; P353-N357 VanDerWaalsContact O-CG 3.25Å; P353-N357 PolarHBondContact O-N 2.67Å; P353-N357 PolarHBondContact O-ND2 3.41Å; N357-K359 PolarHBondContact O-N 3.47Å
358F42.5Very low38.2Very low24 Ų2486.3 Ų86.311%0.10549%0.489CS..THydrogen-bonded Turntrans-63.6-0.9164.5-91.8-89.7000113.9L205 M258 L356 D360 N361L205-F358 HydrophobicContact CD2-CE1 3.58Å; L205-F358 HydrophobicContact CD2-CZ 3.58Å; L205-F358 HydrophobicContact CG-CE1 4.5Å; L205-F358 HydrophobicContact CG-CZ 4.04Å; M258-F358 HydrophobicContact CE-CD1 4.48Å; M258-F358 HydrophobicContact CE-CE1 4Å; L356-F358 VanDerWaalsContact C-N 3.27Å; L356-F358 PolarHBondContact O-N 3.09Å; F358-D360 PolarHBondContact O-N 3Å; F358-N361 PolarHBondContact O-N 2.83Å
359K38.1Very low37.4Very low146 Ų14692.4 Ų92.464%0.63552%0.519SS*.Hα-helixtrans-57.3-34.7175.8-74.3-170.9173.6-174.20112.6N357 N361 Y362 S363N357-K359 PolarHBondContact O-N 3.47Å; K359-N361 PolarHBondContact O-N 3.36Å; K359-Y362 PolarHBondContact O-N 2.74Å; K359-S363 PolarHBondContact O-N 3.25Å; K359-S363 VanDerWaalsContact O-N 3.16Å
360D34.7Very low36.9Very low114 Ų11494.9 Ų94.961%0.6152%0.516SS*.Hα-helixtrans-77.1-24.5-172.3-66.1-22.5000113.3F358F358-D360 PolarHBondContact O-N 3Å
361N32Very low36.9Very low131 Ų13191.3 Ų91.370%0.70150%0.499SS*.Hα-helixtrans-85-8.5176.6-70.9-10000113.6F358 K359F358-N361 PolarHBondContact O-N 2.83Å; K359-N361 PolarHBondContact O-N 3.36Å
362Y40.1Very low36.4Very low77 Ų7792.4 Ų92.430%0.30251%0.508SS..Hα-helixtrans-125.4-1.1-175.3-107.4-84.5000115.2K359 T364 I365K359-Y362 PolarHBondContact O-N 2.74Å; Y362-T364 PolarHBondContact O-N 3.36Å; Y362-I365 HydrophobicContact CD1-CD1 3.74Å; Y362-I365 HydrophobicContact CD1-CG1 3.94Å; Y362-I365 HydrophobicContact CE1-CD1 4.18Å; Y362-I365 HydrophobicContact CE1-CG1 4.45Å; Y362-I365 PolarHBondContact O-N 2.87Å; Y362-I365 VanDerWaalsContact O-N 3.13Å
363S31.8Very low36.4Very low98 Ų9891.4 Ų91.469%0.68551%0.51SS*.THydrogen-bonded Turntrans-64.28.7173.864.50000114.9K359K359-S363 PolarHBondContact O-N 3.25Å; K359-S363 VanDerWaalsContact O-N 3.16Å
364T29.4Very low36.4Very low115 Ų11590 Ų9071%0.70650%0.502SS*.THydrogen-bonded Turntrans-95.718.2167.9-39.10000113.2Y362 Q366Y362-T364 PolarHBondContact O-N 3.36Å; T364-Q366 PolarHBondContact O-N 3.41Å
365I32.6Very low36.7Very low79 Ų7988.3 Ų88.341%0.40549%0.489SS..  trans-74.587.7158.8-57.3176.9000107.1Y362 S367Y362-I365 HydrophobicContact CD1-CD1 3.74Å; Y362-I365 HydrophobicContact CD1-CG1 3.94Å; Y362-I365 HydrophobicContact CE1-CD1 4.18Å; Y362-I365 HydrophobicContact CE1-CG1 4.45Å; Y362-I365 PolarHBondContact O-N 2.87Å; Y362-I365 VanDerWaalsContact O-N 3.13Å; I365-S367 PolarHBondContact O-N 3.03Å; I365-S367 VanDerWaalsContact O-N 3.13Å
366Q27.6Very low37Very low132 Ų13290.2 Ų90.262%0.61749%0.492SS*.  trans-56.2115.4167.3-67179.2-6.800107.7T364T364-Q366 PolarHBondContact O-N 3.41Å
367S31.7Very low37.6Very low90 Ų9089.4 Ų89.463%0.62949%0.487SS*.  trans33.8121.4159.4460000117.2I365 N369 Q370I365-S367 PolarHBondContact O-N 3.03Å; I365-S367 VanDerWaalsContact O-N 3.13Å; S367-N369 PolarHBondContact O-N 3.03Å; S367-Q370 PolarHBondContact O-N 2.89Å
368A36.1Very low38.4Very low57 Ų5786.2 Ų86.247%0.47147%0.471SS..G310 helixtrans-33.9-12.7-179.400000120.3T175 Q370T175-A368 HydrophobicContact CG2-CB 4.09Å; A368-Q370 VanDerWaalsContact C-N 3.33Å; A368-Q370 PolarHBondContact O-N 3.48Å
369N31.5Very low39Very low158 Ų15889.7 Ų89.785%0.84548%0.484SS*.G310 helixtrans-78.5-0.5176.8-70.9-7.7000115.4S367S367-N369 PolarHBondContact O-N 3.03Å
370Q35.8Very low40.2Very low139 Ų13984.2 Ų84.265%0.6546%0.461SS*.G310 helixtrans-13034.7177.8-67.6-170.7-3.100114.4S367 A368 T372S367-Q370 PolarHBondContact O-N 2.89Å; A368-Q370 VanDerWaalsContact C-N 3.33Å; A368-Q370 PolarHBondContact O-N 3.48Å; Q370-T372 PolarHBondContact O-N 2.98Å; Q370-T372 VanDerWaalsContact O-N 3.11Å
371V38.1Very low41.9Very low60 Ų6078.8 Ų78.836%0.36443%0.432SS..  trans-69.2108.6169.1-178.10000108.5D375V371-D375 HydrophobicContact CG1-CB 4.02Å
372T34.9Very low43.6Very low68 Ų6875.4 Ų75.442%0.41741%0.412SS..  trans-77.1163.5174.258.60000110.6Q370 S374 D375Q370-T372 PolarHBondContact O-N 2.98Å; Q370-T372 VanDerWaalsContact O-N 3.11Å; T372-S374 VanDerWaalsContact CB-OG 3.24Å; T372-S374 WeakPolarHBondContact CB-OG 3.37Å; T372-S374 PolarHBondContact O-N 2.93Å; T372-S374 PolarHBondContact OG1-OG 3.26Å; T372-D375 PolarHBondContact O-N 3.43Å; T372-D375 PolarHBondContact OG1-OD2 2.76Å
373V38.8Very low45Very low97 Ų9774 Ų7459%0.58841%0.414SS*.G310 helixtrans-50.6-27170.6172.70000112.4R376V373-R376 WeakPolarHBondContact O-CD 3.22Å; V373-R376 WeakPolarHBondContact O-CG 3.37Å
374S40.7Very low47.2Very low51 Ų5170.1 Ų70.136%0.35738%0.384SS..G310 helixtrans-77.5-23.8179.817.20000115N256 T372N256-S374 WeakPolarHBondContact ND2-CA 3.37Å; N256-S374 WeakPolarHBondContact ND2-CB 3.47Å; N256-S374 PolarHBondContact ND2-O 3.22Å; T372-S374 VanDerWaalsContact CB-OG 3.24Å; T372-S374 WeakPolarHBondContact CB-OG 3.37Å; T372-S374 PolarHBondContact O-N 2.93Å; T372-S374 PolarHBondContact OG1-OG 3.26Å
375D48.1Very low49.3Very low49 Ų4965.3 Ų65.326%0.26235%0.353SS..G310 helixtrans-96.64.7179.2-63.7-54.5000113.2V371 T372 T378 Y379V371-D375 HydrophobicContact CG1-CB 4.02Å; T372-D375 PolarHBondContact O-N 3.43Å; T372-D375 PolarHBondContact OG1-OD2 2.76Å; D375-T378 PolarHBondContact O-OG1 2.84Å; D375-Y379 PolarHBondContact O-N 3.29Å
376R52.1Low51.1Low79 Ų7964 Ų6430%0.29835%0.347SS..Hα-helixtrans-56.8-58-174.8-72.2176178.3174.11.5112.8V179 V373 T378 Y379 E380V179-R376 HydrophobicContact CG1-CG 4.34Å; V179-R376 HydrophobicContact CG2-CG 4.11Å; V373-R376 WeakPolarHBondContact O-CD 3.22Å; V373-R376 WeakPolarHBondContact O-CG 3.37Å; R376-T378 VanDerWaalsContact C-N 3.34Å; R376-T378 PolarHBondContact O-N 2.82Å; R376-Y379 PolarHBondContact O-N 2.8Å; R376-E380 VanDerWaalsContact O-CG 3.3Å; R376-E380 WeakPolarHBondContact O-CG 3.48Å; R376-E380 PolarHBondContact O-N 2.9Å; R376-E380 VanDerWaalsContact O-N 3.17Å
377M55.7Low53.1Low30 Ų3059 Ų5915%0.14833%0.329CS..Hα-helixtrans-71.7-29.2-172.3-172.369-161.900112.2I195 N198 F280 V381I195-M377 HydrophobicContact CB-CE 4.06Å; I195-M377 HydrophobicContact CD1-CE 4.41Å; I195-M377 HydrophobicContact CG1-CE 3.58Å; I195-M377 HydrophobicContact CG1-SD 4.23Å; I195-M377 HydrophobicContact CG2-CE 3.88Å; N198-M377 HydrophobicContact CB-CE 4.35Å; N198-M377 HydrophobicContact CB-CG 4.33Å; N198-M377 WeakPolarHBondContact ND2-CE 3.21Å; N198-M377 WeakPolarHBondContact ND2-CG 3.39Å; F280-M377 HydrophobicContact CB-CE 4.43Å; F280-M377 HydrophobicContact CD2-CE 4.14Å; M377-V381 HydrophobicContact CE-CG1 3.33Å; M377-V381 WeakPolarHBondContact O-CG2 3.21Å; M377-V381 PolarHBondContact O-N 2.9Å; M377-V381 HydrophobicContact SD-CG1 4.25Å
378T54.1Low55Low17 Ų1754.8 Ų54.810%0.10430%0.299CS..Hα-helixtrans-68.4-43.2177.847.80000111.1Y202 D375 R376 E382Y202-T378 WeakPolarHBondContact OH-CG2 3.22Å; D375-T378 PolarHBondContact O-OG1 2.84Å; R376-T378 VanDerWaalsContact C-N 3.34Å; R376-T378 PolarHBondContact O-N 2.82Å; T378-E382 VanDerWaalsContact O-CB 3.29Å; T378-E382 WeakPolarHBondContact O-CB 3.49Å; T378-E382 PolarHBondContact O-N 2.84Å; T378-E382 VanDerWaalsContact O-N 3.11Å
379Y56.2Low56.6Low96 Ų9652.9 Ų52.938%0.37628%0.282SS..Hα-helixtrans-68.1-45.6177.8-174-91.6000112.6C177 D375 R376 V381 E382C177-Y379 WeakPolarHBondContact SG-CE1 3.37Å; D375-Y379 PolarHBondContact O-N 3.29Å; R376-Y379 PolarHBondContact O-N 2.8Å; Y379-V381 PolarHBondContact O-N 3.3Å; Y379-E382 PolarHBondContact O-N 2.88Å
380E62.9Low58.5Low31 Ų3147.3 Ų47.315%0.14526%0.255CS..Hα-helixtrans-59.4-30.1-177.9-75.8164.1-158.500113.9H182 R376H182-E380 IonicContact CE1-OE1 3.19Å; H182-E380 IonicContact NE2-OE1 3.78Å; H182-E380 PolarHBondContact NE2-OE1 2.99Å; H182-E380 IonicContact NE2-OE2 2.85Å; R376-E380 VanDerWaalsContact O-CG 3.3Å; R376-E380 WeakPolarHBondContact O-CG 3.48Å; R376-E380 PolarHBondContact O-N 2.9Å; R376-E380 VanDerWaalsContact O-N 3.17Å
381V69.9Low60.3Low0 Ų041 Ų410%023%0.225CC..Hα-helixtrans-109.5-1.2-178.1-49.90000113.5F280 M377 Y379 S383 E384 R385F280-V381 HydrophobicContact CB-CB 3.93Å; F280-V381 HydrophobicContact CB-CG1 3.51Å; F280-V381 HydrophobicContact CD1-CB 3.55Å; F280-V381 HydrophobicContact CD1-CG1 4.13Å; F280-V381 HydrophobicContact CD1-CG2 3.9Å; F280-V381 HydrophobicContact CD2-CB 3.97Å; F280-V381 HydrophobicContact CD2-CG1 3.93Å; F280-V381 HydrophobicContact CD2-CG2 3.85Å; F280-V381 HydrophobicContact CE1-CB 4.02Å; F280-V381 HydrophobicContact CE1-CG2 3.87Å; F280-V381 HydrophobicContact CE2-CB 4.38Å; F280-V381 HydrophobicContact CE2-CG2 3.8Å; F280-V381 HydrophobicContact CG-CB 3.53Å; F280-V381 HydrophobicContact CG-CG1 3.58Å; F280-V381 HydrophobicContact CG-CG2 3.89Å; F280-V381 HydrophobicContact CZ-CB 4.4Å; F280-V381 HydrophobicContact CZ-CG2 3.81Å; M377-V381 HydrophobicContact CE-CG1 3.33Å; M377-V381 WeakPolarHBondContact O-CG2 3.21Å; M377-V381 PolarHBondContact O-N 2.9Å; M377-V381 HydrophobicContact SD-CG1 4.25Å; Y379-V381 PolarHBondContact O-N 3.3Å; V381-S383 VanDerWaalsContact C-N 3.32Å; V381-S383 PolarHBondContact O-N 2.75Å; V381-E384 PolarHBondContact O-N 2.96Å; V381-R385 VanDerWaalsContact O-CB 3.28Å; V381-R385 WeakPolarHBondContact O-CB 3.28Å; V381-R385 PolarHBondContact O-N 2.78Å
382E67.7Low61.8Low60 Ų6039.5 Ų39.528%0.2822%0.22SC..Hα-helixtrans-60.6-43.5-175.5-175.1174-175.800111.4T378 Y379 E384 R385 N386T378-E382 VanDerWaalsContact O-CB 3.29Å; T378-E382 WeakPolarHBondContact O-CB 3.49Å; T378-E382 PolarHBondContact O-N 2.84Å; T378-E382 VanDerWaalsContact O-N 3.11Å; Y379-E382 PolarHBondContact O-N 2.88Å; E382-E384 VanDerWaalsContact C-N 3.33Å; E382-E384 PolarHBondContact O-N 2.83Å; E382-R385 PolarHBondContact O-N 3.29Å; E382-N386 WeakPolarHBondContact CG-ND2 3.39Å; E382-N386 VanDerWaalsContact O-CB 3.25Å; E382-N386 WeakPolarHBondContact O-CB 3.37Å; E382-N386 PolarHBondContact O-N 3.44Å; E382-N386 PolarHBondContact O-ND2 2.93Å
383S70.3Confident63.6Low49 Ų4937 Ų3734%0.34321%0.208SC..Hα-helixtrans-55.6-49.6176.51570000110.9R162 V381 N386 A387R162-S383 PolarHBondContact NH2-OG 2.84Å; R162-S383 VanDerWaalsContact NH2-OG 3.09Å; V381-S383 VanDerWaalsContact C-N 3.32Å; V381-S383 PolarHBondContact O-N 2.75Å; S383-N386 PolarHBondContact O-N 2.89Å; S383-A387 WeakPolarHBondContact O-CB 3.24Å; S383-A387 PolarHBondContact O-N 2.8Å
384E76.4Confident65.5Low15 Ų1535.4 Ų35.47%0.0719%0.191CC..Hα-helixtrans-73.7-35.9-175.7-72.963.7-132.800111.6G277 Y281 V381 E382 A387 C388G277-E384 WeakPolarHBondContact O-CG 3.32Å; Y281-E384 HydrophobicContact CD2-CB 4.15Å; V381-E384 PolarHBondContact O-N 2.96Å; E382-E384 VanDerWaalsContact C-N 3.33Å; E382-E384 PolarHBondContact O-N 2.83Å; E384-A387 WeakPolarHBondContact O-CB 3.28Å; E384-A387 PolarHBondContact O-N 3.49Å; E384-C388 PolarHBondContact O-N 3.06Å
385R73.5Confident67.5Low14 Ų1433.5 Ų33.55%0.05318%0.18CC..Hα-helixtrans-62.9-51.3171.8-171.9-179.263.980.33.5111F280 Y284 V381 E382 A387 C388 V389F280-R385 HydrophobicContact CE1-CB 3.81Å; F280-R385 HydrophobicContact CE1-CG 4.25Å; F280-R385 HydrophobicContact CZ-CB 4.39Å; F280-R385 HydrophobicContact CZ-CG 4.45Å; Y284-R385 HydrophobicContact CE1-CG 4.34Å; V381-R385 VanDerWaalsContact O-CB 3.28Å; V381-R385 WeakPolarHBondContact O-CB 3.28Å; V381-R385 PolarHBondContact O-N 2.78Å; E382-R385 PolarHBondContact O-N 3.29Å; R385-A387 PolarHBondContact O-N 3.08Å; R385-C388 PolarHBondContact O-N 3.37Å; R385-C388 VanDerWaalsContact O-N 3.12Å; R385-V389 WeakPolarHBondContact O-CG2 3.46Å; R385-V389 PolarHBondContact O-N 3.47Å
386N71.5Confident69.5Low52 Ų5231.2 Ų31.228%0.27817%0.168SC..Hα-helixtrans-59.7-37.3177.9-74.4-24.5000111.2E382 S383 S390E382-N386 WeakPolarHBondContact CG-ND2 3.39Å; E382-N386 VanDerWaalsContact O-CB 3.25Å; E382-N386 WeakPolarHBondContact O-CB 3.37Å; E382-N386 PolarHBondContact O-N 3.44Å; E382-N386 PolarHBondContact O-ND2 2.93Å; S383-N386 PolarHBondContact O-N 2.89Å; N386-S390 WeakPolarHBondContact O-CB 3.37Å; N386-S390 PolarHBondContact O-N 3.25Å
387A69.9Low71.3Confident28 Ų2827.7 Ų27.723%0.23116%0.156CC..Hα-helixtrans-62.8-48.2173.200000112Y281 S383 E384 R385 V389 S390 I391Y281-A387 HydrophobicContact CE2-CB 4.5Å; S383-A387 WeakPolarHBondContact O-CB 3.24Å; S383-A387 PolarHBondContact O-N 2.8Å; E384-A387 WeakPolarHBondContact O-CB 3.28Å; E384-A387 PolarHBondContact O-N 3.49Å; R385-A387 PolarHBondContact O-N 3.08Å; A387-V389 VanDerWaalsContact C-N 3.34Å; A387-V389 PolarHBondContact O-N 3.16Å; A387-S390 PolarHBondContact O-N 3.27Å; A387-I391 WeakPolarHBondContact O-CG1 3.29Å; A387-I391 PolarHBondContact O-N 3.12Å
388C70.7Confident73Confident0 Ų026.9 Ų26.90%015%0.152CC..Hα-helixtrans-60.7-41.9178178.80000112.2Y281 Y284 E285 K288 E384 R385 I391 A392Y281-C388 HydrophobicContact CD2-CB 4.44Å; Y281-C388 HydrophobicContact CE2-CB 4.1Å; Y284-C388 HydrophobicContact CD1-CB 3.76Å; Y284-C388 WeakPolarHBondContact CD1-SG 3.06Å; Y284-C388 HydrophobicContact CE1-CB 3.75Å; Y284-C388 WeakPolarHBondContact CE1-SG 3.27Å; E285-C388 PolarHBondContact OE2-SG 3.4Å; K288-C388 PolarHBondContact NZ-SG 3.04Å; E384-C388 PolarHBondContact O-N 3.06Å; R385-C388 PolarHBondContact O-N 3.37Å; R385-C388 VanDerWaalsContact O-N 3.12Å; C388-I391 PolarHBondContact O-N 2.92Å; C388-A392 PolarHBondContact O-N 2.93Å
389V70.8Confident75Confident17 Ų1726.1 Ų26.110%0.10315%0.147CC..Hα-helixtrans-64.8-46.1177.7171.80000111.4L356 R385 A387 I391 A392L356-V389 HydrophobicContact CB-CG1 3.79Å; L356-V389 HydrophobicContact CD2-CG1 3.81Å; L356-V389 HydrophobicContact CG-CG1 4.38Å; L356-V389 VanDerWaalsContact O-CG1 3.28Å; L356-V389 WeakPolarHBondContact O-CG1 3.48Å; R385-V389 WeakPolarHBondContact O-CG2 3.46Å; R385-V389 PolarHBondContact O-N 3.47Å; A387-V389 VanDerWaalsContact C-N 3.34Å; A387-V389 PolarHBondContact O-N 3.16Å; V389-I391 PolarHBondContact O-N 3.38Å; V389-A392 WeakPolarHBondContact O-CB 2.94Å; V389-A392 PolarHBondContact O-N 3.38Å; V389-A392 VanDerWaalsContact O-N 3.17Å
390S69.9Low76.8Confident41 Ų4121.9 Ų21.929%0.28713%0.131SC..Hα-helixtrans-61.1-28.3-178.2-179.70000113.4E124 N386 A387 R394E124-S390 VanDerWaalsContact CG-OG 3.29Å; E124-S390 WeakPolarHBondContact CG-OG 3.46Å; E124-S390 PolarHBondContact OE2-OG 2.87Å; N386-S390 WeakPolarHBondContact O-CB 3.37Å; N386-S390 PolarHBondContact O-N 3.25Å; A387-S390 PolarHBondContact O-N 3.27Å; S390-R394 PolarHBondContact O-NE 2.75Å
391I73.2Confident78.4Confident6 Ų620.4 Ų20.43%0.03112%0.124CC..THydrogen-bonded Turntrans-104.86.1-178.872.6-178.5000113.8V123 Y281 A387 C388 V389 G393 R394 H396 L400V123-I391 HydrophobicContact CB-CG2 4.22Å; V123-I391 HydrophobicContact CG1-CD1 4.18Å; V123-I391 HydrophobicContact CG1-CG2 3.78Å; Y281-I391 VanDerWaalsContact OH-CD1 3.3Å; Y281-I391 WeakPolarHBondContact OH-CD1 3.35Å; A387-I391 WeakPolarHBondContact O-CG1 3.29Å; A387-I391 PolarHBondContact O-N 3.12Å; C388-I391 PolarHBondContact O-N 2.92Å; V389-I391 PolarHBondContact O-N 3.38Å; I391-G393 PolarHBondContact O-N 3.45Å; I391-R394 WeakPolarHBondContact O-CB 3.26Å; I391-R394 PolarHBondContact O-N 2.86Å; I391-H396 HydrophobicContact CD1-CB 4.01Å; I391-L400 HydrophobicContact CD1-CD1 3.68Å
392A69.8Low79.7Confident29 Ų2921 Ų2124%0.2413%0.127CC..THydrogen-bonded Turntrans-54.1132.1178.300000110.3L356 C388 V389 R394L356-A392 HydrophobicContact CD2-CB 4.43Å; C388-A392 PolarHBondContact O-N 2.93Å; V389-A392 WeakPolarHBondContact O-CB 2.94Å; V389-A392 PolarHBondContact O-N 3.38Å; V389-A392 VanDerWaalsContact O-N 3.17Å; A392-R394 PolarHBondContact O-N 3.15Å
393G72.9Confident81.1Confident17 Ų1718.2 Ų18.218%0.17511%0.114CC..THydrogen-bonded Turntrans74.35.1-178.600000115.9S348 I391S348-G393 VanDerWaalsContact OG-CA 3.25Å; S348-G393 WeakPolarHBondContact OG-CA 3.43Å; I391-G393 PolarHBondContact O-N 3.45Å
394R78.6Confident82.4Confident62 Ų6216.4 Ų16.423%0.23410%0.099CC..THydrogen-bonded Turntrans-96.7-2.9177.6-54.3-171.8-172-157.80.3114.3E124 A127 S128 N341 S390 I391 A392 H396E124-R394 PolarHBondContact O-NH1 2.85Å; E124-R394 IonicContact OE1-NH2 3.44Å; A127-R394 HydrophobicContact CB-CB 4.07Å; S128-R394 PolarHBondContact OG-NH1 2.88Å; N341-R394 WeakPolarHBondContact CA-O 3.46Å; S390-R394 PolarHBondContact O-NE 2.75Å; I391-R394 WeakPolarHBondContact O-CB 3.26Å; I391-R394 PolarHBondContact O-N 2.86Å; A392-R394 PolarHBondContact O-N 3.15Å; R394-H396 PolarHBondContact O-CD2 3.07Å; R394-H396 VanDerWaalsContact O-CD2 3.3Å
395G83.3Confident83.4Confident12 Ų1215.7 Ų15.712%0.12410%0.096CC..THydrogen-bonded Turntrans7519.8178.500000115.1Y340 N341 Y342Y340-G395 WeakPolarHBondContact CA-O 3.36Å; N341-G395 PolarHBondContact N-O 3.22Å; Y342-G395 WeakPolarHBondContact O-CA 3.26Å
396H89.5Confident84.6Confident0 Ų016.2 Ų16.20%010%0.098CC..  trans-102.2-15.9177.2-76.5-98.3000114V123 A127 Y155 Y340 N341 I391 R394 P399 L400V123-H396 HydrophobicContact CG1-CB 4.42Å; A127-H396 WeakPolarHBondContact CA-NE2 3.2Å; A127-H396 WeakPolarHBondContact CB-CD2 3.45Å; A127-H396 VanDerWaalsContact CB-NE2 3.25Å; A127-H396 WeakPolarHBondContact CB-NE2 3.36Å; Y155-H396 AromaticContact CE2-ND1 3.58Å; Y155-H396 AromaticContact CZ-ND1 3.75Å; Y155-H396 PolarHBondContact OH-CE1 3.37Å; Y155-H396 VanDerWaalsContact OH-CE1 3.29Å; Y155-H396 PolarHBondContact OH-ND1 3.2Å; Y340-H396 AromaticContact CD1-CE1 3.72Å; Y340-H396 AromaticContact CD1-ND1 3.27Å; Y340-H396 VanDerWaalsContact CD1-ND1 3.27Å; Y340-H396 WeakPolarHBondContact CD1-ND1 3.27Å; Y340-H396 AromaticContact CE1-ND1 3.95Å; N341-H396 PolarHBondContact OD1-NE2 3.3Å; I391-H396 HydrophobicContact CD1-CB 4.01Å; R394-H396 PolarHBondContact O-CD2 3.07Å; R394-H396 VanDerWaalsContact O-CD2 3.3Å; H396-P399 WeakPolarHBondContact O-CG 3.44Å; H396-L400 HydrophobicContact CB-CD1 4.06Å; H396-L400 VanDerWaalsContact O-CB 3.27Å; H396-L400 WeakPolarHBondContact O-CB 3.46Å; H396-L400 WeakPolarHBondContact O-CD1 3.28Å; H396-L400 WeakPolarHBondContact O-CG 3.42Å; H396-L400 PolarHBondContact O-N 2.89Å; H396-L400 VanDerWaalsContact O-N 3.13Å
397G89.8Confident85.9Confident5 Ų513.7 Ų13.75%0.0529%0.085CC..Hα-helixtrans-59.1-63.7-171.100000113.3L400 S401G397-L400 WeakPolarHBondContact O-CB 3.27Å; G397-L400 PolarHBondContact O-N 3.15Å; G397-S401 PolarHBondContact O-N 3.32Å; G397-S401 PolarHBondContact O-OG 3.15Å
398L92.7Very high87.2Confident13 Ų1312.5 Ų12.57%0.0687%0.074CC..Hα-helixtrans-59.9-46.9-177.8-171.772000114.6L286 T337 F338 L400 S401 R402 L412 L414L286-L398 HydrophobicContact CD2-CD1 3.64Å; T337-L398 HydrophobicContact CG2-CD2 3.36Å; F338-L398 HydrophobicContact CD1-CD2 3.84Å; F338-L398 HydrophobicContact CD1-CG 3.78Å; F338-L398 HydrophobicContact CE1-CD1 4.11Å; F338-L398 HydrophobicContact CE1-CD2 3.74Å; F338-L398 HydrophobicContact CE1-CG 3.56Å; F338-L398 HydrophobicContact CE2-CD2 4.43Å; F338-L398 HydrophobicContact CG-CD2 4.23Å; F338-L398 HydrophobicContact CZ-CD2 4.07Å; F338-L398 HydrophobicContact CZ-CG 4.27Å; L398-L400 VanDerWaalsContact C-N 3.3Å; L398-L400 PolarHBondContact O-N 3.23Å; L398-S401 WeakPolarHBondContact O-CB 3.49Å; L398-S401 PolarHBondContact O-N 2.96Å; L398-R402 PolarHBondContact O-N 3.38Å; L398-R402 VanDerWaalsContact O-N 3.07Å; L398-L412 HydrophobicContact CD1-CD2 4Å; L398-L414 HydrophobicContact CD1-CD1 4.47Å; L398-L414 HydrophobicContact CD2-CD1 3.51Å; L398-L414 HydrophobicContact CD2-CG 4.36Å
399P95.1Very high88.5Confident1 Ų114.3 Ų14.31%0.0069%0.093CC..Hα-helixtrans-60.5-39.6175.718.4-28.6000112.5F338 Y340 H396 S401 R402 L403F338-P399 WeakPolarHBondContact O-CB 3.41Å; Y340-P399 HydrophobicContact CD1-CB 3.96Å; Y340-P399 HydrophobicContact CD1-CG 3.56Å; Y340-P399 HydrophobicContact CE1-CB 3.51Å; Y340-P399 HydrophobicContact CE1-CG 3.56Å; Y340-P399 HydrophobicContact CE2-CB 4.31Å; Y340-P399 HydrophobicContact CG-CG 4.28Å; H396-P399 WeakPolarHBondContact O-CG 3.44Å; P399-S401 PolarHBondContact O-N 3.45Å; P399-R402 WeakPolarHBondContact O-CB 3.38Å; P399-R402 PolarHBondContact O-N 3.38Å; P399-R402 VanDerWaalsContact O-N 3.16Å; P399-L403 WeakPolarHBondContact O-CG 3.28Å; P399-L403 PolarHBondContact O-N 3.3Å
400L94.9Very high89.8Confident7 Ų714 Ų144%0.0379%0.093CC..Hα-helixtrans-62.9-40.4173.6-74.7172.3000112.6V123 Y155 Y281 I391 H396 G397 L398 R402 L403 Y404V123-L400 HydrophobicContact CG1-CD1 3.66Å; Y155-L400 HydrophobicContact CD1-CD2 4.02Å; Y155-L400 HydrophobicContact CD2-CD2 3.68Å; Y155-L400 HydrophobicContact CE2-CD2 4.35Å; Y155-L400 HydrophobicContact CG-CD2 3.49Å; Y155-L400 VanDerWaalsContact CG-CD2 3.49Å; Y281-L400 HydrophobicContact CE1-CB 3.94Å; Y281-L400 WeakPolarHBondContact OH-CB 3.45Å; Y281-L400 WeakPolarHBondContact OH-CD1 3.35Å; I391-L400 HydrophobicContact CD1-CD1 3.68Å; H396-L400 HydrophobicContact CB-CD1 4.06Å; H396-L400 VanDerWaalsContact O-CB 3.27Å; H396-L400 WeakPolarHBondContact O-CB 3.46Å; H396-L400 WeakPolarHBondContact O-CD1 3.28Å; H396-L400 WeakPolarHBondContact O-CG 3.42Å; H396-L400 PolarHBondContact O-N 2.89Å; H396-L400 VanDerWaalsContact O-N 3.13Å; G397-L400 WeakPolarHBondContact O-CB 3.27Å; G397-L400 PolarHBondContact O-N 3.15Å; L398-L400 VanDerWaalsContact C-N 3.3Å; L398-L400 PolarHBondContact O-N 3.23Å; L400-R402 PolarHBondContact O-N 2.96Å; L400-L403 HydrophobicContact CD2-CD1 4.37Å; L400-L403 PolarHBondContact O-N 3.3Å; L400-Y404 WeakPolarHBondContact O-CD2 3.21Å; L400-Y404 PolarHBondContact O-N 3.07Å
401S96.5Very high91.1Very high0 Ų014.1 Ų14.10%09%0.091CC..Hα-helixtrans-58-39.2174.1-62.70000111.7Y281 M282 E285 G397 L398 P399 L403 Y404 A405Y281-S401 WeakPolarHBondContact CE1-OG 3.21Å; M282-S401 WeakPolarHBondContact CG-O 3.44Å; E285-S401 WeakPolarHBondContact CB-OG 3.34Å; G397-S401 PolarHBondContact O-N 3.32Å; G397-S401 PolarHBondContact O-OG 3.15Å; L398-S401 WeakPolarHBondContact O-CB 3.49Å; L398-S401 PolarHBondContact O-N 2.96Å; P399-S401 PolarHBondContact O-N 3.45Å; S401-L403 VanDerWaalsContact C-N 3.35Å; S401-Y404 PolarHBondContact O-N 2.82Å; S401-A405 PolarHBondContact O-N 2.81Å
402R97.2Very high92.3Very high13 Ų1313.9 Ų13.95%0.0499%0.089CC..Hα-helixtrans-65.2-38.8174.5-174.9174.367.6-176.22.4112.3F338 L398 P399 L400 A405 R406 L412F338-R402 VanDerWaalsContact CB-NH1 3.34Å; F338-R402 HydrophobicContact CD1-CB 4.12Å; F338-R402 HydrophobicContact CE1-CB 3.82Å; F338-R402 HydrophobicContact CE1-CG 4.29Å; F338-R402 VanDerWaalsContact CG-NH1 3.25Å; L398-R402 PolarHBondContact O-N 3.38Å; L398-R402 VanDerWaalsContact O-N 3.07Å; P399-R402 WeakPolarHBondContact O-CB 3.38Å; P399-R402 PolarHBondContact O-N 3.38Å; P399-R402 VanDerWaalsContact O-N 3.16Å; L400-R402 PolarHBondContact O-N 2.96Å; R402-A405 PolarHBondContact O-N 2.9Å; R402-R406 HydrophobicContact CG-CG 4.48Å; R402-R406 WeakPolarHBondContact O-CB 3.47Å; R402-R406 WeakPolarHBondContact O-CG 3.49Å; R402-R406 PolarHBondContact O-N 2.76Å; R402-L412 HydrophobicContact CB-CB 4.12Å; R402-L412 HydrophobicContact CB-CD2 4.35Å; R402-L412 HydrophobicContact CG-CB 4.22Å
403L97.2Very high93.6Very high1 Ų115.1 Ų15.11%0.0059%0.092CC..Hα-helixtrans-68.4-37.4175.8-62.1-174.4000112.7D152 Y155 V156 I159 Y340 P399 L400 S401 A405 R406 Y407D152-L403 HydrophobicContact CB-CD2 4.33Å; Y155-L403 VanDerWaalsContact CB-CD1 3.48Å; V156-L403 HydrophobicContact CG2-CB 4.02Å; V156-L403 HydrophobicContact CG2-CD1 3.92Å; V156-L403 HydrophobicContact CG2-CD2 3.61Å; V156-L403 HydrophobicContact CG2-CG 4.03Å; I159-L403 HydrophobicContact CD1-CB 3.99Å; Y340-L403 VanDerWaalsContact OH-CD1 3.23Å; Y340-L403 WeakPolarHBondContact OH-CD1 3.4Å; P399-L403 WeakPolarHBondContact O-CG 3.28Å; P399-L403 PolarHBondContact O-N 3.3Å; L400-L403 HydrophobicContact CD2-CD1 4.37Å; L400-L403 PolarHBondContact O-N 3.3Å; S401-L403 VanDerWaalsContact C-N 3.35Å; L403-A405 VanDerWaalsContact C-N 3.3Å; L403-A405 PolarHBondContact O-N 2.78Å; L403-R406 PolarHBondContact O-N 2.86Å; L403-Y407 WeakPolarHBondContact O-CB 3.34Å; L403-Y407 PolarHBondContact O-N 2.81Å
404Y97.1Very high94.7Very high11 Ų1115.4 Ų15.44%0.0439%0.089CC..Hα-helixtrans-59.2-41.5173.5-81.9-66000112I159 H278 Y281 L400 S401I159-Y404 HydrophobicContact CD1-CD1 3.96Å; I159-Y404 HydrophobicContact CD1-CE1 4.05Å; I159-Y404 HydrophobicContact CD1-CG 4.24Å; I159-Y404 HydrophobicContact CG1-CD1 4.27Å; I159-Y404 HydrophobicContact CG1-CE1 3.93Å; I159-Y404 HydrophobicContact CG2-CD1 4.25Å; I159-Y404 HydrophobicContact CG2-CE1 4.22Å; H278-Y404 HydrophobicContact CB-CD1 3.97Å; H278-Y404 AromaticContact CD2-CD1 3.67Å; H278-Y404 AromaticContact CD2-CE1 3.59Å; H278-Y404 AromaticContact CG-CD1 3.55Å; H278-Y404 AromaticContact CG-CE1 3.98Å; H278-Y404 AromaticContact ND1-CD1 3.78Å; H278-Y404 AromaticContact NE2-CD1 3.97Å; H278-Y404 AromaticContact NE2-CE1 3.78Å; Y281-Y404 AromaticContact CD1-CD2 3.32Å; Y281-Y404 HydrophobicContact CD1-CD2 3.32Å; Y281-Y404 AromaticContact CD1-CE2 3.35Å; Y281-Y404 HydrophobicContact CD1-CE2 3.35Å; Y281-Y404 HydrophobicContact CD1-CG 4.45Å; Y281-Y404 HydrophobicContact CD2-CD2 4.47Å; Y281-Y404 AromaticContact CD2-CE2 3.69Å; Y281-Y404 HydrophobicContact CD2-CE2 3.69Å; Y281-Y404 AromaticContact CE1-CD2 3.73Å; Y281-Y404 HydrophobicContact CE1-CD2 3.73Å; Y281-Y404 AromaticContact CE1-CE2 3.59Å; Y281-Y404 HydrophobicContact CE1-CE2 3.59Å; Y281-Y404 AromaticContact CE2-CE2 3.89Å; Y281-Y404 HydrophobicContact CE2-CE2 3.89Å; Y281-Y404 AromaticContact CG-CD2 3.75Å; Y281-Y404 HydrophobicContact CG-CD2 3.75Å; Y281-Y404 AromaticContact CG-CE2 3.4Å; Y281-Y404 HydrophobicContact CG-CE2 3.4Å; Y281-Y404 VanDerWaalsContact CG-CE2 3.4Å; Y281-Y404 AromaticContact CZ-CE2 3.84Å; L400-Y404 WeakPolarHBondContact O-CD2 3.21Å; L400-Y404 PolarHBondContact O-N 3.07Å; S401-Y404 PolarHBondContact O-N 2.82Å
405A98.2Very high95.6Very high0 Ų017.5 Ų17.50%010%0.102CC..Hα-helixtrans-64-52.3173.400000111.5M282 S401 R402 L403 Y407 L408 G410 L412 L428M282-A405 HydrophobicContact SD-CB 3.66Å; S401-A405 PolarHBondContact O-N 2.81Å; R402-A405 PolarHBondContact O-N 2.9Å; L403-A405 VanDerWaalsContact C-N 3.3Å; L403-A405 PolarHBondContact O-N 2.78Å; A405-Y407 VanDerWaalsContact C-N 3.3Å; A405-Y407 PolarHBondContact O-N 3.21Å; A405-L408 PolarHBondContact O-N 3.38Å; A405-G410 CarbonylContact O-C 3.46Å; A405-G410 WeakPolarHBondContact O-CA 3.12Å; A405-G410 PolarHBondContact O-N 2.86Å; A405-L412 HydrophobicContact CB-CB 4.45Å; A405-L428 HydrophobicContact CB-CD2 4.44Å
406R97.9Very high96.2Very high25 Ų2518.1 Ų18.19%0.09410%0.104CC..Hα-helixtrans-66.1-29.5-175.6-73.3178.2177.3-159.6-10.3114.1R402 L403 L408 G409 G410 N411 L438 F468R402-R406 HydrophobicContact CG-CG 4.48Å; R402-R406 WeakPolarHBondContact O-CB 3.47Å; R402-R406 WeakPolarHBondContact O-CG 3.49Å; R402-R406 PolarHBondContact O-N 2.76Å; L403-R406 PolarHBondContact O-N 2.86Å; R406-L408 PolarHBondContact O-N 3.25Å; R406-L408 VanDerWaalsContact O-N 3.15Å; R406-G409 PolarHBondContact O-N 2.93Å; R406-G409 VanDerWaalsContact O-N 3.08Å; R406-G410 VanDerWaalsContact CA-O 3.32Å; R406-G410 WeakPolarHBondContact CA-O 3.3Å; R406-G410 WeakPolarHBondContact CG-O 3.09Å; R406-N411 PolarHBondContact NE-OD1 2.95Å; R406-N411 PolarHBondContact NH2-OD1 3.06Å; R406-L438 HydrophobicContact CB-CD2 4.15Å; R406-L438 WeakPolarHBondContact O-CB 3.08Å; R406-F468 PolarHBondContact NH1-O 3.45Å; R406-F468 PolarHBondContact NH2-O 2.92Å
407Y98Very high96.6Very high0 Ų023.5 Ų23.50%013%0.132CC..Hα-helixtrans-55.7-30.3177.9170.3-110.9000112.2V156 I159 G160 T163 H278 L403 A405 H436 E437 L438 I439V156-Y407 HydrophobicContact CG1-CD2 4.5Å; I159-Y407 HydrophobicContact CB-CD2 4.45Å; I159-Y407 HydrophobicContact CB-CG 4.42Å; I159-Y407 HydrophobicContact CG2-CD1 3.47Å; I159-Y407 VanDerWaalsContact CG2-CD1 3.47Å; I159-Y407 HydrophobicContact CG2-CD2 3.93Å; I159-Y407 HydrophobicContact CG2-CE1 3.78Å; I159-Y407 HydrophobicContact CG2-CE2 4.18Å; I159-Y407 HydrophobicContact CG2-CG 3.55Å; G160-Y407 VanDerWaalsContact CA-CE2 3.44Å; G160-Y407 WeakPolarHBondContact CA-OH 3.45Å; T163-Y407 VanDerWaalsContact CB-OH 3.23Å; T163-Y407 WeakPolarHBondContact CB-OH 3.38Å; T163-Y407 HydrophobicContact CG2-CE1 4.41Å; T163-Y407 WeakPolarHBondContact CG2-OH 3.16Å; T163-Y407 PolarHBondContact OG1-OH 3.42Å; H278-Y407 AromaticContact CE1-CD1 3.69Å; H278-Y407 AromaticContact CE1-CE1 3.71Å; H278-Y407 AromaticContact ND1-CD1 3.97Å; L403-Y407 WeakPolarHBondContact O-CB 3.34Å; L403-Y407 PolarHBondContact O-N 2.81Å; A405-Y407 VanDerWaalsContact C-N 3.3Å; A405-Y407 PolarHBondContact O-N 3.21Å; Y407-H436 VanDerWaalsContact O-O 3.08Å; Y407-E437 HydrophobicContact CE2-CB 4.07Å; Y407-E437 HydrophobicContact CE2-CG 3.81Å; Y407-E437 CarbonylContact O-C 3.5Å; Y407-E437 WeakPolarHBondContact O-CA 3.5Å; Y407-E437 WeakPolarHBondContact OH-CG 3.35Å; Y407-E437 PolarHBondContact OH-OE1 2.87Å; Y407-L438 PolarHBondContact O-N 3.38Å; Y407-I439 HydrophobicContact CD2-CD1 4.49Å; Y407-I439 HydrophobicContact CE2-CD1 3.87Å
408L98Very high96.9Very high2 Ų229.9 Ų29.91%0.0116%0.16CC..THydrogen-bonded Turntrans-11535.9177-65.7172.5000112.5L30 Y274 I275 A405 R406 G410 A435 H436L30-L408 HydrophobicContact CD1-CD1 4.08Å; L30-L408 HydrophobicContact CD2-CD1 3.89Å; L30-L408 HydrophobicContact CD2-CD2 4.07Å; L30-L408 HydrophobicContact CG-CD1 4.1Å; L30-L408 HydrophobicContact CG-CD2 4.06Å; Y274-L408 HydrophobicContact CD2-CD1 4.33Å; Y274-L408 HydrophobicContact CE2-CB 4.26Å; Y274-L408 HydrophobicContact CE2-CD1 3.66Å; I275-L408 HydrophobicContact CD1-CD1 4.06Å; I275-L408 HydrophobicContact CG1-CD1 4.42Å; A405-L408 PolarHBondContact O-N 3.38Å; R406-L408 PolarHBondContact O-N 3.25Å; R406-L408 VanDerWaalsContact O-N 3.15Å; L408-G410 PolarHBondContact O-N 2.85Å; L408-A435 HydrophobicContact CB-CB 4.39Å; L408-H436 CarbonylContact C-O 3.59Å; L408-H436 WeakPolarHBondContact CA-O 3.3Å
409G97.5Very high97.1Very high38 Ų3832.4 Ų32.439%0.39219%0.189SC..THydrogen-bonded Turntrans73.38.1176.700000115.2R406 K429R406-G409 PolarHBondContact O-N 2.93Å; R406-G409 VanDerWaalsContact O-N 3.08Å; G409-K429 WeakPolarHBondContact O-CE 3.46Å
410G98.2Very high97.1Very high11 Ų1135.6 Ų35.611%0.11321%0.208CC..  trans-85.7-169.8174.800000113.6A405 R406 L408 Y427A405-G410 CarbonylContact O-C 3.46Å; A405-G410 WeakPolarHBondContact O-CA 3.12Å; A405-G410 PolarHBondContact O-N 2.86Å; R406-G410 VanDerWaalsContact CA-O 3.32Å; R406-G410 WeakPolarHBondContact CA-O 3.3Å; R406-G410 WeakPolarHBondContact CG-O 3.09Å; L408-G410 PolarHBondContact O-N 2.85Å; G410-Y427 CarbonylContact C-O 3.35Å; G410-Y427 WeakPolarHBondContact CA-O 3.31Å
411N97.8Very high97.3Very high44 Ų4435.6 Ų35.624%0.23521%0.21CC..EExtended strand (participates in β ladder)trans-155.3162.1173.5-156.36000111.8R406 I426 Y427R406-N411 PolarHBondContact NE-OD1 2.95Å; R406-N411 PolarHBondContact NH2-OD1 3.06Å; N411-I426 CarbonylContact O-C 3.54Å; N411-I426 WeakPolarHBondContact O-CA 3.49Å; N411-Y427 PolarHBondContact N-O 2.85Å; N411-Y427 PolarHBondContact O-N 3.46Å
412L98Very high97.4Very high0 Ų036.3 Ų36.30%022%0.215CC..EExtended strand (participates in β ladder)trans-132.8119.7172.8170.458.4000109.4L286 F338 L398 R402 A405 A424 L425 I426L286-L412 HydrophobicContact CD1-CD1 4.04Å; L286-L412 HydrophobicContact CD2-CD1 4.49Å; L286-L412 HydrophobicContact CD2-CD2 4.45Å; F338-L412 HydrophobicContact CE1-CD2 4.31Å; F338-L412 HydrophobicContact CE1-CG 4.32Å; F338-L412 HydrophobicContact CZ-CG 4.29Å; L398-L412 HydrophobicContact CD1-CD2 4Å; R402-L412 HydrophobicContact CB-CB 4.12Å; R402-L412 HydrophobicContact CB-CD2 4.35Å; R402-L412 HydrophobicContact CG-CB 4.22Å; A405-L412 HydrophobicContact CB-CB 4.45Å; L412-A424 HydrophobicContact CD1-CB 4.23Å; L412-L425 WeakPolarHBondContact CA-O 3.35Å; L412-I426 HydrophobicContact CD1-CG1 3.84Å
413N96.3Very high97.4Very high55 Ų5536.7 Ų36.729%0.29422%0.219SC..EExtended strand (participates in β ladder)trans-119.3148.1178.4-64.7-32000111A424 L425N413-A424 CarbonylContact O-C 3.55Å; N413-A424 WeakPolarHBondContact O-CA 3.46Å; N413-L425 PolarHBondContact N-O 3.37Å; N413-L425 PolarHBondContact O-N 2.57Å
414L96.9Very high97.5Very high23 Ų2336.9 Ų36.912%0.1222%0.221CC..EExtended strand (participates in β ladder)trans-113.1136.1172.3-65.4-170.5000110.3L286 M329 V334 T337 F338 L398 T422 S423 A424L286-L414 HydrophobicContact CD2-CD2 4.49Å; M329-L414 HydrophobicContact CE-CD1 4.21Å; V334-L414 HydrophobicContact CG1-CB 3.96Å; T337-L414 HydrophobicContact CG2-CD1 4.39Å; F338-L414 HydrophobicContact CE2-CB 4.36Å; F338-L414 HydrophobicContact CE2-CD1 4.27Å; F338-L414 HydrophobicContact CE2-CG 3.95Å; F338-L414 HydrophobicContact CZ-CD1 4.35Å; F338-L414 HydrophobicContact CZ-CG 3.86Å; L398-L414 HydrophobicContact CD1-CD1 4.47Å; L398-L414 HydrophobicContact CD2-CD1 3.51Å; L398-L414 HydrophobicContact CD2-CG 4.36Å; L414-T422 HydrophobicContact CD2-CG2 4.35Å; L414-S423 WeakPolarHBondContact CA-O 3.35Å; L414-A424 HydrophobicContact CD2-CB 3.46Å; L414-A424 VanDerWaalsContact CD2-CB 3.46Å
415H96.6Very high97.6Very high106 Ų10637.6 Ų37.649%0.49123%0.225SC..EExtended strand (participates in β ladder)trans-125.6108.9172.4-59.8-89.8000107.5S423H415-S423 PolarHBondContact N-O 2.92Å; H415-S423 PolarHBondContact O-N 3.42Å
416S97.5Very high97.6Very high26 Ų2637.6 Ų37.618%0.18223%0.225CC..EExtended strand (participates in β ladder)trans-116.8143.1-176-157.90000110.9G328 M329 G421 T422G328-S416 VanDerWaalsContact CA-OG 3.26Å; G328-S416 WeakPolarHBondContact CA-OG 3.18Å; M329-S416 PolarHBondContact N-OG 3.29Å; S416-G421 PolarHBondContact OG-O 2.77Å; S416-T422 PolarHBondContact OG-OG1 3.2Å
417I97.4Very high97.6Very high113 Ų11340 Ų4058%0.57924%0.235SC*.EExtended strand (participates in β ladder)trans-120.2109.6173.8-57.7173.4000106.3G419 V420 G421I417-G419 PolarHBondContact O-N 3.46Å; I417-V420 HydrophobicContact CB-CB 4.04Å; I417-V420 HydrophobicContact CB-CG2 4.4Å; I417-V420 HydrophobicContact CG2-CB 3.9Å; I417-V420 HydrophobicContact CG2-CG2 3.7Å; I417-V420 PolarHBondContact O-N 2.7Å; I417-G421 PolarHBondContact N-O 3.16Å; I417-G421 PolarHBondContact O-N 3.04Å
418E96.2Very high97.7Very high139 Ų13940 Ų4065%0.6524%0.235SC*.THydrogen-bonded Turntrans-57.4134.4178.5-171.7171.3-155.800111.3A330 V420A330-E418 WeakPolarHBondContact CB-OE2 3.35Å; E418-V420 VanDerWaalsContact C-N 3.26Å; E418-V420 PolarHBondContact O-N 3.48Å
419G95.6Very high97.7Very high65 Ų6542.5 Ų42.567%0.6725%0.246SC*.THydrogen-bonded Turntrans80.3-5.8-17200000115G327 I417G327-G419 CarbonylContact O-C 3.59Å; G327-G419 VanDerWaalsContact O-CA 3.28Å; G327-G419 WeakPolarHBondContact O-CA 3.4Å; G327-G419 PolarHBondContact O-N 3.33Å; I417-G419 PolarHBondContact O-N 3.46Å
420V97Very high97.7Very high68 Ų6844 Ų4441%0.41224%0.24SC..BIsolated β-bridgetrans-120.9-66.5-175.7-177.40000111.6F325 G327 I417 E418F325-V420 CarbonylContact C-O 3.59Å; F325-V420 VanDerWaalsContact C-O 3.24Å; F325-V420 VanDerWaalsContact CA-O 3.27Å; F325-V420 WeakPolarHBondContact CA-O 3.3Å; F325-V420 HydrophobicContact CD1-CG1 4.07Å; F325-V420 HydrophobicContact CE1-CG1 4.19Å; G327-V420 PolarHBondContact N-O 2.91Å; G327-V420 PolarHBondContact O-N 2.97Å; I417-V420 HydrophobicContact CB-CB 4.04Å; I417-V420 HydrophobicContact CB-CG2 4.4Å; I417-V420 HydrophobicContact CG2-CB 3.9Å; I417-V420 HydrophobicContact CG2-CG2 3.7Å; I417-V420 PolarHBondContact O-N 2.7Å; E418-V420 VanDerWaalsContact C-N 3.26Å; E418-V420 PolarHBondContact O-N 3.48Å
421G98.1Very high97.6Very high7 Ų747 Ų477%0.07225%0.251CS..EExtended strand (participates in β ladder)trans169-179.3-170.800000114.1D324 S416 I417D324-G421 WeakPolarHBondContact O-CA 3.36Å; S416-G421 PolarHBondContact OG-O 2.77Å; I417-G421 PolarHBondContact N-O 3.16Å; I417-G421 PolarHBondContact O-N 3.04Å
422T98.4Very high97.6Very high16 Ų1646 Ų4610%0.09825%0.247CC..EExtended strand (participates in β ladder)trans-125.9138.8-179.5-55.20000111.7T323 D324 M329 L414 S416T323-T422 WeakPolarHBondContact CA-O 3.35Å; D324-T422 PolarHBondContact N-O 2.97Å; D324-T422 PolarHBondContact O-N 3.18Å; D324-T422 PolarHBondContact OD1-N 3.06Å; M329-T422 HydrophobicContact CE-CG2 4.21Å; L414-T422 HydrophobicContact CD2-CG2 4.35Å; S416-T422 PolarHBondContact OG-OG1 3.2Å
423S98.5Very high97.6Very high21 Ų2149.5 Ų49.515%0.14726%0.264CS..EExtended strand (participates in β ladder)trans-109.9122.4167.6-67.70000110.2K321 I322 T323 L414 H415K321-S423 WeakPolarHBondContact CE-OG 3.46Å; I322-S423 CarbonylContact O-C 3.58Å; I322-S423 VanDerWaalsContact O-CA 3.26Å; I322-S423 WeakPolarHBondContact O-CA 3.25Å; T323-S423 WeakPolarHBondContact CG2-OG 3.41Å; T323-S423 PolarHBondContact OG1-OG 3.09Å; L414-S423 WeakPolarHBondContact CA-O 3.35Å; H415-S423 PolarHBondContact N-O 2.92Å; H415-S423 PolarHBondContact O-N 3.42Å
424A98.6Very high97.6Very high4 Ų450.6 Ų50.63%0.03327%0.269CS..EExtended strand (participates in β ladder)trans-100.2128.1169.300000110L286 K321 I322 L412 N413 L414L286-A424 HydrophobicContact CD1-CB 3.92Å; L286-A424 HydrophobicContact CD2-CB 3.74Å; L286-A424 HydrophobicContact CG-CB 4.39Å; K321-A424 CarbonylContact C-O 3.52Å; K321-A424 VanDerWaalsContact CA-O 3.26Å; K321-A424 WeakPolarHBondContact CA-O 3.45Å; I322-A424 PolarHBondContact N-O 3.2Å; I322-A424 PolarHBondContact O-N 3.26Å; L412-A424 HydrophobicContact CD1-CB 4.23Å; N413-A424 CarbonylContact O-C 3.55Å; N413-A424 WeakPolarHBondContact O-CA 3.46Å; L414-A424 HydrophobicContact CD2-CB 3.46Å; L414-A424 VanDerWaalsContact CD2-CB 3.46Å
425L98.5Very high97.7Very high26 Ų2649.5 Ų49.514%0.13626%0.263CS..EExtended strand (participates in β ladder)trans-113.2114.4176.2-80.685.9000109.9K321 L412 N413 Y427K321-L425 HydrophobicContact CB-CG 4.21Å; K321-L425 HydrophobicContact CD-CD1 4.3Å; K321-L425 HydrophobicContact CG-CD1 3.99Å; K321-L425 HydrophobicContact CG-CG 4.08Å; L412-L425 WeakPolarHBondContact CA-O 3.35Å; N413-L425 PolarHBondContact N-O 3.37Å; N413-L425 PolarHBondContact O-N 2.57Å; L425-Y427 HydrophobicContact CB-CD2 4.45Å; L425-Y427 HydrophobicContact CB-CE2 3.76Å; L425-Y427 HydrophobicContact CD2-CE2 4.21Å; L425-Y427 WeakPolarHBondContact CD2-OH 3.27Å
426I98.8Very high97.7Very high0 Ų048.6 Ų48.60%026%0.259CS..EExtended strand (participates in β ladder)trans-95125.9169.6-55163.9000108.1M282 L283 L286 V319 I320 N411 L412 L428M282-I426 HydrophobicContact CB-CD1 4.02Å; M282-I426 HydrophobicContact CE-CG2 4.17Å; M282-I426 HydrophobicContact SD-CG2 4Å; L283-I426 HydrophobicContact CD2-CD1 3.64Å; L283-I426 HydrophobicContact CG-CD1 4.5Å; L286-I426 HydrophobicContact CD1-CD1 3.73Å; L286-I426 HydrophobicContact CD1-CG1 3.96Å; V319-I426 CarbonylContact C-O 3.54Å; V319-I426 VanDerWaalsContact CA-O 3.31Å; V319-I426 WeakPolarHBondContact CA-O 3.2Å; I320-I426 HydrophobicContact CB-CB 4.35Å; I320-I426 HydrophobicContact CB-CD1 4.43Å; I320-I426 PolarHBondContact N-O 3.19Å; I320-I426 PolarHBondContact O-N 3.3Å; N411-I426 CarbonylContact O-C 3.54Å; N411-I426 WeakPolarHBondContact O-CA 3.49Å; L412-I426 HydrophobicContact CD1-CG1 3.84Å; I426-L428 HydrophobicContact CG2-CD1 4.27Å; I426-L428 HydrophobicContact CG2-CD2 3.64Å; I426-L428 HydrophobicContact CG2-CG 3.8Å
427Y98.7Very high97.7Very high75 Ų7547.6 Ų47.629%0.29425%0.252SS..EExtended strand (participates in β ladder)trans-108.3128.2170.9-64.5-97.1000108.7V319 G410 N411 L425V319-Y427 HydrophobicContact CG1-CD1 4.39Å; V319-Y427 HydrophobicContact CG1-CE1 4.23Å; V319-Y427 HydrophobicContact CG2-CD1 3.7Å; V319-Y427 HydrophobicContact CG2-CE1 3.95Å; G410-Y427 CarbonylContact C-O 3.35Å; G410-Y427 WeakPolarHBondContact CA-O 3.31Å; N411-Y427 PolarHBondContact N-O 2.85Å; N411-Y427 PolarHBondContact O-N 3.46Å; L425-Y427 HydrophobicContact CB-CD2 4.45Å; L425-Y427 HydrophobicContact CB-CE2 3.76Å; L425-Y427 HydrophobicContact CD2-CE2 4.21Å; L425-Y427 WeakPolarHBondContact CD2-OH 3.27Å
428L98.7Very high97.6Very high1 Ų144.7 Ų44.71%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-130.9140.4177.8-52.5175.7000109.4F272 Y274 L279 M282 D317 I318 A405 I426 R430F272-L428 HydrophobicContact CE2-CB 4.28Å; F272-L428 HydrophobicContact CE2-CD1 4.24Å; F272-L428 HydrophobicContact CZ-CD1 3.86Å; Y274-L428 HydrophobicContact CE1-CD1 4.21Å; Y274-L428 HydrophobicContact CE2-CB 4.42Å; Y274-L428 HydrophobicContact CE2-CD1 4.45Å; Y274-L428 HydrophobicContact CE2-CD2 4.26Å; Y274-L428 WeakPolarHBondContact OH-CD2 3.13Å; L279-L428 HydrophobicContact CD1-CD1 4Å; M282-L428 HydrophobicContact CE-CD1 4.47Å; M282-L428 HydrophobicContact CE-CD2 3.89Å; D317-L428 CarbonylContact C-O 3.54Å; D317-L428 WeakPolarHBondContact CA-O 3.48Å; D317-L428 WeakPolarHBondContact CB-O 3.34Å; I318-L428 HydrophobicContact CB-CB 4.38Å; I318-L428 PolarHBondContact N-O 2.94Å; I318-L428 PolarHBondContact O-N 3.13Å; A405-L428 HydrophobicContact CB-CD2 4.44Å; I426-L428 HydrophobicContact CG2-CD1 4.27Å; I426-L428 HydrophobicContact CG2-CD2 3.64Å; I426-L428 HydrophobicContact CG2-CG 3.8Å; L428-R430 PolarHBondContact O-N 2.93Å
429K98.4Very high97.4Very high54 Ų5439 Ų3924%0.23521%0.211CC..EExtended strand (participates in β ladder)trans-62.4126.4175.9-65.5-71.6151.1-144.60109.8D317 G409 D434 A435D317-K429 IonicContact OD1-NZ 3.78Å; D317-K429 PolarHBondContact OD1-NZ 3.45Å; G409-K429 WeakPolarHBondContact O-CE 3.46Å; K429-D434 HydrophobicContact CB-CB 4.45Å; K429-D434 HydrophobicContact CD-CB 4.04Å; K429-D434 HydrophobicContact CG-CB 4.47Å; K429-A435 HydrophobicContact CB-CB 3.89Å
430R97.3Very high97.2Very high70 Ų7036.4 Ų36.426%0.26418%0.182SC..SBendtrans-73.2-40-179.6177178162.7-107.8-13.1112N313 G314 P315 E316 I318 L428N313-R430 VanDerWaalsContact OD1-CD 3.27Å; N313-R430 WeakPolarHBondContact OD1-CD 3.44Å; N313-R430 PolarHBondContact OD1-NE 2.87Å; G314-R430 WeakPolarHBondContact O-CD 3.48Å; P315-R430 PolarHBondContact O-NH1 2.87Å; E316-R430 WeakPolarHBondContact O-CB 3.41Å; E316-R430 PolarHBondContact O-N 2.86Å; I318-R430 HydrophobicContact CD1-CB 4.31Å; I318-R430 HydrophobicContact CD1-CG 4.05Å; I318-R430 HydrophobicContact CG1-CB 4.25Å; I318-R430 HydrophobicContact CG1-CG 4.41Å; L428-R430 PolarHBondContact O-N 2.93Å
431Q96.9Very high96.8Very high75 Ų7536.5 Ų36.535%0.3518%0.18SC..SBendtrans-93.6131.4-179.2-54-172.39.400109.9Q433 D434 A435Q431-Q433 HydrophobicContact CB-CG 4.15Å; Q431-Q433 PolarHBondContact O-N 2.89Å; Q431-D434 PolarHBondContact O-N 3.34Å; Q431-A435 PolarHBondContact O-N 3.08Å
432S97.2Very high96.3Very high23 Ų2338.3 Ų38.316%0.16119%0.186CC..THydrogen-bonded Turntrans-64.1-24.3-176.852.40000114.2L30 K31 D434L30-S432 PolarHBondContact N-O 2.89Å; K31-S432 PolarHBondContact N-O 2.91Å; K31-S432 VanDerWaalsContact N-O 3.13Å; S432-D434 VanDerWaalsContact C-N 3.31Å
433Q97.5Very high95.7Very high73 Ų7341 Ų4134%0.34120%0.2SC..THydrogen-bonded Turntrans-71.8-23.2173.858-129.717.500113.7K31 Q431 H436K31-Q433 HydrophobicContact CB-CB 4.4Å; K31-Q433 HydrophobicContact CD-CB 3.77Å; Q431-Q433 HydrophobicContact CB-CG 4.15Å; Q431-Q433 PolarHBondContact O-N 2.89Å; Q433-H436 PolarHBondContact O-CD2 3.34Å; Q433-H436 PolarHBondContact O-NE2 3.43Å
434D97.6Very high95Very high77 Ų7748 Ų4841%0.41223%0.23SC..THydrogen-bonded Turntrans-93.9-13.4-179.8-53.9-33.7000111.2K429 Q431 S432 H436K429-D434 HydrophobicContact CB-CB 4.45Å; K429-D434 HydrophobicContact CD-CB 4.04Å; K429-D434 HydrophobicContact CG-CB 4.47Å; Q431-D434 PolarHBondContact O-N 3.34Å; S432-D434 VanDerWaalsContact C-N 3.31Å; D434-H436 VanDerWaalsContact C-N 3.33Å; D434-H436 PolarHBondContact O-N 2.86Å; D434-H436 VanDerWaalsContact O-N 3.09Å
435A97.9Very high94.2Very high0 Ų052.4 Ų52.40%026%0.257CS..  trans-8371178.700000111.3S29 L30 L408 K429 Q431S29-A435 CarbonylContact C-O 3.55Å; S29-A435 WeakPolarHBondContact CA-O 3.2Å; L30-A435 HydrophobicContact CB-CB 4.15Å; L30-A435 HydrophobicContact CD1-CB 3.7Å; L30-A435 HydrophobicContact CG-CB 3.83Å; L30-A435 PolarHBondContact N-O 2.78Å; L408-A435 HydrophobicContact CB-CB 4.39Å; K429-A435 HydrophobicContact CB-CB 3.89Å; Q431-A435 PolarHBondContact O-N 3.08Å
436H97.5Very high93.5Very high87 Ų8751.2 Ų51.240%0.40325%0.251SS..BIsolated β-bridgetrans-83.7143.1178.2-74.1-87.4000113.2Y407 L408 Q433 D434 L438Y407-H436 VanDerWaalsContact O-O 3.08Å; L408-H436 CarbonylContact C-O 3.59Å; L408-H436 WeakPolarHBondContact CA-O 3.3Å; Q433-H436 PolarHBondContact O-CD2 3.34Å; Q433-H436 PolarHBondContact O-NE2 3.43Å; D434-H436 VanDerWaalsContact C-N 3.33Å; D434-H436 PolarHBondContact O-N 2.86Å; D434-H436 VanDerWaalsContact O-N 3.09Å; H436-L438 PolarHBondContact O-N 2.96Å
437E97.3Very high92.8Very high5 Ų554.8 Ų54.82%0.02327%0.266CS..  trans-56.4117.2167.8-72.5-176.399.600111.1S27 L28 R56 Y407 I439S27-E437 PolarHBondContact OG-O 2.84Å; L28-E437 VanDerWaalsContact CB-OE2 3.3Å; L28-E437 WeakPolarHBondContact CB-OE2 3.39Å; L28-E437 PolarHBondContact N-OE2 2.83Å; L28-E437 VanDerWaalsContact O-CG 3.3Å; L28-E437 WeakPolarHBondContact O-CG 3.3Å; L28-E437 PolarHBondContact O-N 3.39Å; R56-E437 IonicContact CZ-OE1 3.69Å; R56-E437 IonicContact CZ-OE2 2.76Å; R56-E437 IonicContact NH1-OE1 3.3Å; R56-E437 PolarHBondContact NH1-OE1 2.84Å; R56-E437 IonicContact NH1-OE2 3.89Å; R56-E437 IonicContact NH2-OE1 2.83Å; R56-E437 PolarHBondContact NH2-OE1 2.84Å; R56-E437 VanDerWaalsContact NH2-OE1 3.09Å; R56-E437 IonicContact NH2-OE2 3.48Å; R56-E437 PolarHBondContact NH2-OE2 2.85Å; Y407-E437 HydrophobicContact CE2-CB 4.07Å; Y407-E437 HydrophobicContact CE2-CG 3.81Å; Y407-E437 CarbonylContact O-C 3.5Å; Y407-E437 WeakPolarHBondContact O-CA 3.5Å; Y407-E437 WeakPolarHBondContact OH-CG 3.35Å; Y407-E437 PolarHBondContact OH-OE1 2.87Å; E437-I439 HydrophobicContact CB-CD1 4.1Å; E437-I439 HydrophobicContact CB-CG1 3.96Å; E437-I439 PolarHBondContact O-N 2.71Å
438L95.3Very high92.1Very high52 Ų5252.8 Ų52.827%0.27226%0.263SS..  trans-80.5111.6162177.766.4000108.1V156 R406 Y407 H436 F468V156-L438 WeakPolarHBondContact CG1-O 3.21Å; R406-L438 HydrophobicContact CB-CD2 4.15Å; R406-L438 WeakPolarHBondContact O-CB 3.08Å; Y407-L438 PolarHBondContact O-N 3.38Å; H436-L438 PolarHBondContact O-N 2.96Å; L438-F468 HydrophobicContact CD2-CD1 4.24Å; L438-F468 HydrophobicContact CD2-CE1 4.35Å
439I92.6Very high91.3Very high21 Ų2153.5 Ų53.511%0.10827%0.267CS..  trans-120.7130.8178.2-54.7-64.5000109.5P25 Y407 E437P25-I439 HydrophobicContact CB-CG2 3.77Å; P25-I439 HydrophobicContact CG-CG2 3.88Å; Y407-I439 HydrophobicContact CD2-CD1 4.49Å; Y407-I439 HydrophobicContact CE2-CD1 3.87Å; E437-I439 HydrophobicContact CB-CD1 4.1Å; E437-I439 HydrophobicContact CB-CG1 3.96Å; E437-I439 PolarHBondContact O-N 2.71Å
440P90.5Very high90.4Very high9 Ų951.6 Ų51.66%0.05826%0.259CS..  trans-67.3138.117628.5-36.4000111.6R153R153-P440 HydrophobicContact CB-CB 4.02Å; R153-P440 HydrophobicContact CB-CG 4.31Å; R153-P440 HydrophobicContact CG-CB 4.12Å; R153-P440 WeakPolarHBondContact O-CG 3.17Å
441L89.1Confident89.6Confident71 Ų7153.7 Ų53.737%0.37227%0.271SS..  trans-103.1126.1175.2-58.9-177.6000110.6T24 P25 R153 N443T24-L441 HydrophobicContact CG2-CD1 4.3Å; T24-L441 HydrophobicContact CG2-CD2 3.64Å; P25-L441 HydrophobicContact CG-CD2 4.37Å; R153-L441 VanDerWaalsContact NH2-C 3.31Å; R153-L441 PolarHBondContact NH2-O 3.19Å; L441-N443 PolarHBondContact O-N 3.42Å
442F86.6Confident88.3Confident45 Ų4554.4 Ų54.420%0.19728%0.278CS..  trans-80.3114.1171.8-177-107.3000110.4N59 Q62 E63 L66N59-F442 HydrophobicContact CB-CB 4.19Å; N59-F442 WeakPolarHBondContact OD1-CB 3.41Å; N59-F442 PolarHBondContact OD1-N 2.79Å; Q62-F442 HydrophobicContact CB-CD1 3.61Å; Q62-F442 HydrophobicContact CB-CD2 3.91Å; Q62-F442 HydrophobicContact CB-CE1 3.5Å; Q62-F442 HydrophobicContact CB-CE2 3.79Å; Q62-F442 HydrophobicContact CB-CG 3.81Å; Q62-F442 HydrophobicContact CB-CZ 3.59Å; Q62-F442 HydrophobicContact CG-CD1 3.87Å; Q62-F442 HydrophobicContact CG-CE1 3.79Å; Q62-F442 HydrophobicContact CG-CG 4.47Å; Q62-F442 HydrophobicContact CG-CZ 4.33Å; E63-F442 HydrophobicContact CG-CD2 3.67Å; E63-F442 HydrophobicContact CG-CE2 4.27Å; L66-F442 HydrophobicContact CD1-CE2 3.64Å; L66-F442 HydrophobicContact CD1-CZ 4.19Å; L66-F442 HydrophobicContact CG-CE2 4.5Å
443N87.2Confident86.5Confident71 Ų7155.4 Ų55.438%0.3829%0.285SS..SBendtrans-152.2179.5-179.165.320.8000112.1L441 T445 S446 K447L441-N443 PolarHBondContact O-N 3.42Å; N443-T445 PolarHBondContact O-N 2.88Å; N443-T445 WeakPolarHBondContact OD1-CA 3.49Å; N443-T445 WeakPolarHBondContact OD1-CB 3.42Å; N443-T445 PolarHBondContact OD1-N 3Å; N443-S446 PolarHBondContact N-OG 2.84Å; N443-S446 PolarHBondContact O-N 2.89Å; N443-S446 PolarHBondContact O-OG 2.73Å; N443-S446 PolarHBondContact OD1-N 3.16Å; N443-S446 PolarHBondContact OD1-OG 3.33Å; N443-K447 PolarHBondContact O-N 2.85Å
444H82.7Confident84.2Confident168 Ų16859.5 Ų59.578%0.77831%0.308SS*.Hα-helixtrans-55.2-36.6177.7-71.1-71.9000113.5K447 S448H444-K447 PolarHBondContact O-N 3.35Å; H444-S448 WeakPolarHBondContact O-CB 3.22Å; H444-S448 PolarHBondContact O-N 2.79Å
445T83Confident82Confident98 Ų9860.6 Ų60.660%0.60131%0.31SS*.Hα-helixtrans-64.9-50.2177.4-51.70000111.1N443 K447 S448 V449N443-T445 PolarHBondContact O-N 2.88Å; N443-T445 WeakPolarHBondContact OD1-CA 3.49Å; N443-T445 WeakPolarHBondContact OD1-CB 3.42Å; N443-T445 PolarHBondContact OD1-N 3Å; T445-K447 VanDerWaalsContact C-N 3.3Å; T445-K447 PolarHBondContact O-N 2.93Å; T445-S448 WeakPolarHBondContact O-CB 3.35Å; T445-S448 PolarHBondContact O-N 2.88Å; T445-S448 VanDerWaalsContact O-N 3.16Å; T445-V449 PolarHBondContact O-N 2.85Å
446S83.9Confident79.6Confident1 Ų169.2 Ų69.21%0.00735%0.351CS..Hα-helixtrans-60.6-40.6176.864.20000111.8Y149 N443 S448 V449 Y450Y149-S446 WeakPolarHBondContact OH-CA 3.32Å; N443-S446 PolarHBondContact N-OG 2.84Å; N443-S446 PolarHBondContact O-N 2.89Å; N443-S446 PolarHBondContact O-OG 2.73Å; N443-S446 PolarHBondContact OD1-N 3.16Å; N443-S446 PolarHBondContact OD1-OG 3.33Å; S446-S448 VanDerWaalsContact C-N 3.34Å; S446-S448 PolarHBondContact O-N 2.96Å; S446-V449 PolarHBondContact O-N 3.11Å; S446-Y450 WeakPolarHBondContact O-CD2 3.08Å
447K83.4Confident77Confident75 Ų7574 Ų7433%0.32637%0.365SS..Hα-helixtrans-61.9-41.3175.3-168.4-179.8-169.2-122.70112L66 N443 H444 T445 V449 Y450 E451L66-K447 HydrophobicContact CD1-CB 4.21Å; L66-K447 HydrophobicContact CD1-CG 3.87Å; L66-K447 HydrophobicContact CD2-CG 4.38Å; N443-K447 PolarHBondContact O-N 2.85Å; H444-K447 PolarHBondContact O-N 3.35Å; T445-K447 VanDerWaalsContact C-N 3.3Å; T445-K447 PolarHBondContact O-N 2.93Å; K447-V449 VanDerWaalsContact C-N 3.29Å; K447-V449 PolarHBondContact O-N 3.05Å; K447-Y450 WeakPolarHBondContact O-CB 3.46Å; K447-Y450 PolarHBondContact O-N 2.63Å; K447-Y450 VanDerWaalsContact O-N 3.11Å; K447-E451 WeakPolarHBondContact CE-OE1 3.48Å; K447-E451 HydrophobicContact CG-CG 4.46Å; K447-E451 IonicContact NZ-OE1 3.56Å; K447-E451 PolarHBondContact NZ-OE1 2.92Å; K447-E451 PolarHBondContact O-N 2.77Å
448S83.6Confident74.6Confident33 Ų3376.8 Ų76.823%0.23138%0.38CS..Hα-helixtrans-63.6-31.8178.4-174.70000112.8H444 T445 S446 Y450 E451 N452H444-S448 WeakPolarHBondContact O-CB 3.22Å; H444-S448 PolarHBondContact O-N 2.79Å; T445-S448 WeakPolarHBondContact O-CB 3.35Å; T445-S448 PolarHBondContact O-N 2.88Å; T445-S448 VanDerWaalsContact O-N 3.16Å; S446-S448 VanDerWaalsContact C-N 3.34Å; S446-S448 PolarHBondContact O-N 2.96Å; S448-Y450 VanDerWaalsContact C-N 3.29Å; S448-Y450 PolarHBondContact O-N 3.31Å; S448-E451 PolarHBondContact O-N 2.9Å; S448-N452 WeakPolarHBondContact O-CA 3.42Å; S448-N452 WeakPolarHBondContact O-CB 3.35Å; S448-N452 PolarHBondContact O-N 3.36Å; S448-N452 PolarHBondContact OG-ND2 2.88Å
449V81.1Confident73Confident16 Ų1686.5 Ų86.510%0.09741%0.413CS..Hα-helixtrans-63.8-36.9174.1177.60000111.3Y149 T445 S446 K447 L467Y149-V449 HydrophobicContact CD1-CB 4.12Å; Y149-V449 HydrophobicContact CD1-CG1 3.55Å; Y149-V449 HydrophobicContact CD2-CG1 4.05Å; Y149-V449 HydrophobicContact CE1-CB 3.7Å; Y149-V449 HydrophobicContact CE1-CG1 3.63Å; Y149-V449 HydrophobicContact CE1-CG2 4.27Å; Y149-V449 HydrophobicContact CE2-CG1 4.09Å; Y149-V449 HydrophobicContact CE2-CG2 4.41Å; Y149-V449 HydrophobicContact CG-CG1 3.75Å; T445-V449 PolarHBondContact O-N 2.85Å; S446-V449 PolarHBondContact O-N 3.11Å; K447-V449 VanDerWaalsContact C-N 3.29Å; K447-V449 PolarHBondContact O-N 3.05Å; V449-L467 HydrophobicContact CG1-CD1 4Å
450Y80.3Confident71.6Confident14 Ų1492.1 Ų92.16%0.05545%0.448CS..Hα-helixtrans-72.1-39.1173.7-63.4-72.1000112.4E63 L66 Q146 Y149 F150 S446 K447 S448E63-Y450 HydrophobicContact CG-CE2 4.48Å; E63-Y450 PolarHBondContact OE2-OH 2.84Å; L66-Y450 HydrophobicContact CB-CD1 4.36Å; L66-Y450 HydrophobicContact CB-CD2 3.98Å; L66-Y450 HydrophobicContact CB-CE2 4.41Å; L66-Y450 HydrophobicContact CB-CG 3.95Å; L66-Y450 HydrophobicContact CD1-CD2 3.43Å; L66-Y450 VanDerWaalsContact CD1-CD2 3.43Å; L66-Y450 HydrophobicContact CD1-CE2 3.97Å; L66-Y450 HydrophobicContact CD1-CG 4.09Å; L66-Y450 HydrophobicContact CG-CD2 4.38Å; Q146-Y450 PolarHBondContact NE2-O 2.88Å; Y149-Y450 AromaticContact CD1-CE1 3.89Å; Y149-Y450 HydrophobicContact CD1-CE1 3.89Å; Y149-Y450 HydrophobicContact CD1-CE2 4.04Å; Y149-Y450 AromaticContact CD1-CZ 3.63Å; Y149-Y450 HydrophobicContact CE1-CD2 4.36Å; Y149-Y450 HydrophobicContact CE1-CE1 4.45Å; Y149-Y450 AromaticContact CE1-CE2 3.76Å; Y149-Y450 HydrophobicContact CE1-CE2 3.76Å; Y149-Y450 AromaticContact CE1-CZ 3.82Å; F150-Y450 VanDerWaalsContact CA-OH 3.31Å; F150-Y450 WeakPolarHBondContact CA-OH 3.39Å; F150-Y450 HydrophobicContact CB-CE1 3.95Å; S446-Y450 WeakPolarHBondContact O-CD2 3.08Å; K447-Y450 WeakPolarHBondContact O-CB 3.46Å; K447-Y450 PolarHBondContact O-N 2.63Å; K447-Y450 VanDerWaalsContact O-N 3.11Å; S448-Y450 VanDerWaalsContact C-N 3.29Å; S448-Y450 PolarHBondContact O-N 3.31Å
451E80.3Confident69.8Low113 Ų11393 Ų9353%0.52846%0.455SS..Hα-helixtrans-78.7-35.1-177.2-68.8174.4170.200113.3K447 S448K447-E451 WeakPolarHBondContact CE-OE1 3.48Å; K447-E451 HydrophobicContact CG-CG 4.46Å; K447-E451 IonicContact NZ-OE1 3.56Å; K447-E451 PolarHBondContact NZ-OE1 2.92Å; K447-E451 PolarHBondContact O-N 2.77Å; S448-E451 PolarHBondContact O-N 2.9Å
452N70.9Confident67.8Low90 Ų9097.8 Ų97.848%0.48148%0.481SS..  trans-118.880-175.4-60.1-56.3000109.8S448 I454S448-N452 WeakPolarHBondContact O-CA 3.42Å; S448-N452 WeakPolarHBondContact O-CB 3.35Å; S448-N452 PolarHBondContact O-N 3.36Å; S448-N452 PolarHBondContact OG-ND2 2.88Å; N452-I454 PolarHBondContact O-N 3.26Å
453S58Low65.7Low45 Ų4597.6 Ų97.632%0.31549%0.485SS..  trans-63.3-0.4178.5660000114.8S142S142-S453 WeakPolarHBondContact OG-CB 3.3Å; S142-S453 PolarHBondContact OG-OG 3.02Å
454I50.4Low63.9Low159 Ų15997.7 Ų97.782%0.81548%0.483SS*.  trans-102.673.2179.1-48.8173000107.7N452N452-I454 PolarHBondContact O-N 3.26Å
455Q51.6Low61.9Low100 Ų10097.2 Ų97.247%0.46747%0.474SS..  trans-105.6115.6165.2-76.7-166.1-4.400110.5
456Q46.7Very low60.1Low181 Ų18195.9 Ų95.985%0.84647%0.466SS*.  trans28.994.3157.5-66.5-179.8-17.300115.5D458Q456-D458 PolarHBondContact O-N 3.3Å; Q456-D458 VanDerWaalsContact O-N 3.17Å
457R42.1Very low58.3Low186 Ų18699.8 Ų99.870%0.70249%0.487SS*.  trans-53.9119.9146.3-70-177.1-177.8170.40.3106.5W459R457-W459 PolarHBondContact O-N 2.97Å
458D46.8Very low56.2Low65 Ų6597.5 Ų97.535%0.34848%0.477SS..  trans-52.9135.2162.1-169-30.5000106.9Q456 V460 S461Q456-D458 PolarHBondContact O-N 3.3Å; Q456-D458 VanDerWaalsContact O-N 3.17Å; D458-V460 PolarHBondContact O-N 3.2Å; D458-V460 VanDerWaalsContact O-N 3.17Å; D458-V460 PolarHBondContact OD1-N 3.25Å; D458-S461 WeakPolarHBondContact CB-OG 3.33Å
459W62.5Low54.1Low256 Ų256102 Ų10297%0.9749%0.494SS*.SBendtrans-66.4-15.5179.3-67.6-2.7000111.9R457R457-W459 PolarHBondContact O-N 2.97Å
460V63.8Low51.9Low138 Ų138105.5 Ų105.584%0.83652%0.517SS*.SBendtrans-104.4-33.5179.1-167.20000112.5D458D458-V460 PolarHBondContact O-N 3.2Å; D458-V460 VanDerWaalsContact O-N 3.17Å; D458-V460 PolarHBondContact OD1-N 3.25Å
461S52.2Low49.6Very low28 Ų28114.1 Ų114.120%0.19656%0.555CS.*  trans-96.1116.3177.276.10000111.8D458 S463D458-S461 WeakPolarHBondContact CB-OG 3.33Å; S461-S463 WeakPolarHBondContact CB-O 3.33Å; S461-S463 PolarHBondContact O-N 3.39Å; S461-S463 PolarHBondContact OG-O 2.79Å
462N46.7Very low47Very low172 Ų172114.5 Ų114.592%0.9257%0.565SS**SBendtrans-65.7-9.1162.5-94.4-13000112.1
463S43.7Very low45.1Very low40 Ų40116.1 Ų116.128%0.2858%0.578SS.*SBendtrans-90.5128.1169.850.20000110.8E335 S461 R465E335-S463 VanDerWaalsContact OE1-CB 3.29Å; E335-S463 WeakPolarHBondContact OE1-CB 3.37Å; E335-S463 PolarHBondContact OE1-OG 3Å; E335-S463 WeakPolarHBondContact OE2-CB 3.42Å; S461-S463 WeakPolarHBondContact CB-O 3.33Å; S461-S463 PolarHBondContact O-N 3.39Å; S461-S463 PolarHBondContact OG-O 2.79Å; S463-R465 PolarHBondContact O-N 3.06Å
464Q49Very low43.9Very low73 Ų73123.4 Ų123.434%0.34163%0.625SS.*PPolyproline II helixtrans-66.8125.8170.6-68.2161.8-1300107.6T466Q464-T466 PolarHBondContact O-N 3.03Å
465R40.2Very low43.6Very low158 Ų158121.7 Ų121.760%0.59662%0.615SS**PPolyproline II helixtrans-46.5131175.3-80-171.9-176-159.7-0.2109.8S463 L467 E469S463-R465 PolarHBondContact O-N 3.06Å; R465-L467 PolarHBondContact O-N 3.27Å; R465-L467 VanDerWaalsContact O-N 3.11Å; R465-E469 IonicContact NH1-OE2 2.71Å
466T44.3Very low43.2Very low71 Ų71122.8 Ų122.844%0.43662%0.623SS.*PPolyproline II helixtrans-61.2116157.5530000106.4Q464 F468Q464-T466 PolarHBondContact O-N 3.03Å; T466-F468 PolarHBondContact O-N 3.05Å
467L46Very low43Very low83 Ų83119.6 Ų119.644%0.43561%0.611SS.*SBendtrans-58.312.3-168.9-74.1155.3000116.6Y149 V449 R465Y149-L467 HydrophobicContact CD2-CB 3.73Å; Y149-L467 HydrophobicContact CD2-CD1 3.38Å; Y149-L467 HydrophobicContact CD2-CG 4.13Å; Y149-L467 HydrophobicContact CE2-CB 4Å; Y149-L467 HydrophobicContact CE2-CD1 4.09Å; Y149-L467 HydrophobicContact CG-CD1 3.91Å; V449-L467 HydrophobicContact CG1-CD1 4Å; R465-L467 PolarHBondContact O-N 3.27Å; R465-L467 VanDerWaalsContact O-N 3.11Å
468F40Very low43Very low26 Ų26115.6 Ų115.611%0.11461%0.606CS.*  trans-123.768.3174.8-79-87.7000109.8D152 R153 R406 L438 T466D152-F468 HydrophobicContact CB-CD2 3.96Å; D152-F468 HydrophobicContact CB-CE2 3.42Å; D152-F468 VanDerWaalsContact CB-CE2 3.42Å; D152-F468 HydrophobicContact CB-CZ 4.26Å; R153-F468 HydrophobicContact CG-CE2 4Å; R153-F468 HydrophobicContact CG-CZ 3.67Å; R406-F468 PolarHBondContact NH1-O 3.45Å; R406-F468 PolarHBondContact NH2-O 2.92Å; L438-F468 HydrophobicContact CD2-CD1 4.24Å; L438-F468 HydrophobicContact CD2-CE1 4.35Å; T466-F468 PolarHBondContact O-N 3.05Å
469E38.7Very low42.8Very low129 Ų129118.8 Ų118.860%0.60362%0.622SS**  trans-100117.2133.4-76.6-175.7163.700104.4R465 F471R465-E469 IonicContact NH1-OE2 2.71Å; E469-F471 PolarHBondContact O-N 3.12Å
470P36Very low41.5Very low88 Ų88109.7 Ų109.757%0.57160%0.598SS**  trans-52.8137.2166-7.218.1000106.4T472P470-T472 PolarHBondContact O-N 3.06Å
471F31.5Very low39.9Very low196 Ų196107.6 Ų107.686%0.8658%0.581SS**  trans-55.697.3150.6-73.7-88.4000104.8E469 T473E469-F471 PolarHBondContact O-N 3.12Å; F471-T473 PolarHBondContact O-N 3.43Å
472T26.9Very low38.9Very low121 Ų121113.8 Ų113.874%0.74261%0.611SS**  trans-60.4101.8154.150.10000102.7P470P470-T472 PolarHBondContact O-N 3.06Å
473T30.4Very low38.3Very low123 Ų123108.9 Ų108.976%0.75559%0.585SS**  trans-51.2128.416443.30000106.2F471F471-T473 PolarHBondContact O-N 3.43Å
474P32.6Very low37.8Very low199 Ų199115.2 Ų115.2100%1.29261%0.613SS**  trans-58.10-176.323.5-33.1000112.6

Retrieved 474 of 474 residues in 663 ms (Link to these results)

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