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Kinesin-like protein KIF19

Plus end-directed microtubule-dependent motor protein that regulates the length of motile cilia by mediating depolymerization of microtubules at ciliary tips.

AlphaFold DB , UniProt , Accession Q99PT9, Species MOUSE (Mus musculus, Mouse), Gene Kif19, Length 997 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
1M32.7Very low53.7Low239 Ų239117 Ų117100%1.17763%0.634SS**  01630-70.9148.576.800108.1
2K30Very low56.9Low207 Ų207107.3 Ų107.390%0.958%0.582SS**  trans-110.981.4-170.9-170.8179.8-176.4179.40109.9S4K2-S4 PolarHBondContact O-N 2.85Å; K2-S4 VanDerWaalsContact O-N 3.12Å
3D34.5Very low59.8Low156 Ų156103.9 Ų103.983%0.83456%0.561SS**  trans-63.5115178.6-78.6-18.3000110.4G5D3-G5 PolarHBondContact O-N 2.57Å; D3-G5 VanDerWaalsContact O-N 3.15Å
4S33.1Very low62.4Low102 Ų10296.5 Ų96.571%0.71352%0.521SS*.  trans-70.1103.9170.6470000108.6K2 D6K2-S4 PolarHBondContact O-N 2.85Å; K2-S4 VanDerWaalsContact O-N 3.12Å; S4-D6 PolarHBondContact O-N 3.36Å
5G40.1Very low64.8Low74 Ų7490.1 Ų90.176%0.76349%0.486SS*.  trans-57.297.5179.500000112.2D3 S7D3-G5 PolarHBondContact O-N 2.57Å; D3-G5 VanDerWaalsContact O-N 3.15Å; G5-S7 PolarHBondContact O-N 3.05Å
6D47.8Very low66.9Low107 Ų10784.4 Ų84.457%0.57246%0.456SS*.  trans-76.281.3-162.2-148.915.5000110.9S4 K8S4-D6 PolarHBondContact O-N 3.36Å; D6-K8 PolarHBondContact O-N 3.18Å; D6-K8 WeakPolarHBondContact OD2-CE 3.48Å; D6-K8 IonicContact OD2-NZ 2.65Å; D6-K8 PolarHBondContact OD2-NZ 3.3Å
7S59.2Low68.7Low55 Ų5580.4 Ų80.439%0.38543%0.432SS..  trans-76.595.8-177.867.20000111.4G5 V350G5-S7 PolarHBondContact O-N 3.05Å; S7-V350 WeakPolarHBondContact CA-O 3.45Å
8K65.9Low70.3Confident126 Ų12676.2 Ų76.255%0.54841%0.41SS..EExtended strand (participates in β ladder)trans-83.2126.5-175.6-66.1176.7-172.6179.80110.5D6 Q10 V350D6-K8 PolarHBondContact O-N 3.18Å; D6-K8 WeakPolarHBondContact OD2-CE 3.48Å; D6-K8 IonicContact OD2-NZ 2.65Å; D6-K8 PolarHBondContact OD2-NZ 3.3Å; K8-Q10 PolarHBondContact O-N 3.09Å; K8-Q10 VanDerWaalsContact O-N 3.13Å; K8-V350 PolarHBondContact N-O 3.32Å; K8-V350 PolarHBondContact O-N 2.97Å
9D76.8Confident71.6Confident80 Ų8074.8 Ų74.843%0.42840%0.399SS..EExtended strand (participates in β ladder)trans-66.3105.1167.3-81.70.3000107.5R349D9-R349 WeakPolarHBondContact OD1-CG 3.48Å; D9-R349 IonicContact OD1-CZ 2.64Å; D9-R349 IonicContact OD1-NE 3.25Å; D9-R349 PolarHBondContact OD1-NE 3.19Å; D9-R349 IonicContact OD1-NH2 3.63Å; D9-R349 PolarHBondContact OD1-NH2 3.16Å; D9-R349 IonicContact OD2-NE 3.25Å; D9-R349 IonicContact OD2-NH2 2.67Å; D9-R349 PolarHBondContact OD2-NH2 2.63Å
10Q83.1Confident72.8Confident80 Ų8074.9 Ų74.937%0.37440%0.404SS..EExtended strand (participates in β ladder)trans-96.8131.2-178179.357.95800109.7K8 R347 T348 V350K8-Q10 PolarHBondContact O-N 3.09Å; K8-Q10 VanDerWaalsContact O-N 3.13Å; Q10-R347 CarbonylContact O-C 3.59Å; Q10-R347 WeakPolarHBondContact O-CA 3.13Å; Q10-T348 PolarHBondContact N-O 2.81Å; Q10-T348 PolarHBondContact O-N 2.99Å; Q10-V350 HydrophobicContact CB-CG2 3.67Å; Q10-V350 HydrophobicContact CG-CG2 4.28Å
11Q87.5Confident73.9Confident61 Ų6173.3 Ų73.329%0.28539%0.394SS..EExtended strand (participates in β ladder)trans-76.8135.6170.9-15868.149.400109.2M13 K344 N345 I346 R347Q11-M13 PolarHBondContact O-N 3.45Å; Q11-K344 PolarHBondContact NE2-O 2.85Å; Q11-N345 PolarHBondContact NE2-O 2.81Å; Q11-I346 PolarHBondContact NE2-O 3.47Å; Q11-R347 VanDerWaalsContact OE1-CG 3.25Å
12L92Very high76.8Confident1 Ų163.9 Ų63.91%0.00535%0.352CS..PPolyproline II helixtrans-64.9123.4174.5-174.6156.4000109.4V14 T317 M319 A343 I346L12-V14 HydrophobicContact CD2-CG2 3.57Å; L12-T317 HydrophobicContact CD1-CG2 3.73Å; L12-T317 HydrophobicContact CG-CG2 4.01Å; L12-M319 HydrophobicContact CD2-CB 4.02Å; L12-A343 HydrophobicContact CD2-CB 4.21Å; L12-I346 HydrophobicContact CB-CB 4.13Å; L12-I346 HydrophobicContact CB-CG2 4.48Å; L12-I346 WeakPolarHBondContact CB-O 3.45Å; L12-I346 HydrophobicContact CD1-CB 4.16Å; L12-I346 HydrophobicContact CD1-CD1 4.38Å; L12-I346 HydrophobicContact CD1-CG2 4.18Å; L12-I346 PolarHBondContact N-O 3.21Å
13M95Very high79.8Confident63 Ų6358.9 Ų58.931%0.3134%0.339SS..EExtended strand (participates in β ladder)trans-80130-180176.2-173.8-79.700110.2Q11 D68 T317 V318 M319Q11-M13 PolarHBondContact O-N 3.45Å; M13-D68 HydrophobicContact CG-CB 4.07Å; M13-T317 PolarHBondContact N-O 3.39Å; M13-V318 HydrophobicContact CB-CG2 4.25Å; M13-V318 HydrophobicContact CG-CG1 4.35Å; M13-V318 WeakPolarHBondContact O-CA 3.28Å; M13-V318 HydrophobicContact SD-CG1 4.14Å; M13-V318 HydrophobicContact SD-CG2 4.22Å; M13-M319 PolarHBondContact O-N 3.24Å
14V96.7Very high82.5Confident0 Ų053.9 Ų53.90%032%0.319CS..EExtended strand (participates in β ladder)trans-118.3115.9176.7-1760000110.3L12 F67 D68 M319 A340 A343 K344L12-V14 HydrophobicContact CD2-CG2 3.57Å; V14-F67 HydrophobicContact CB-CD1 4.33Å; V14-F67 HydrophobicContact CG1-CD1 3.62Å; V14-F67 HydrophobicContact CG1-CE1 4.15Å; V14-F67 WeakPolarHBondContact O-CB 3.26Å; V14-D68 PolarHBondContact N-OD2 3.36Å; V14-D68 PolarHBondContact O-N 3.05Å; V14-M319 WeakPolarHBondContact CA-O 3.46Å; V14-M319 HydrophobicContact CG2-CB 4.34Å; V14-A340 HydrophobicContact CG1-CB 3.84Å; V14-A343 HydrophobicContact CG2-CB 4.05Å; V14-K344 HydrophobicContact CB-CB 4.22Å; V14-K344 HydrophobicContact CG2-CB 3.71Å
15A97.5Very high85.4Confident0 Ų049.9 Ų49.90%029%0.289CS..EExtended strand (participates in β ladder)trans-96.1145.316700000110.4V69 F71 T84 M319 I320 A321A15-V69 WeakPolarHBondContact CA-O 3.42Å; A15-V69 HydrophobicContact CB-CG1 3.53Å; A15-F71 HydrophobicContact CB-CE2 3.95Å; A15-T84 HydrophobicContact CB-CG2 3.81Å; A15-M319 PolarHBondContact N-O 3Å; A15-I320 HydrophobicContact CB-CG1 4.37Å; A15-I320 HydrophobicContact CB-CG2 4.33Å; A15-A321 PolarHBondContact O-N 3Å
16L98.1Very high87.9Confident0 Ų051.2 Ų51.20%028%0.278CS..EExtended strand (participates in β ladder)trans-111.8136.4164.6-167.586000110.1V18 V42 F67 V69 F71 A321 I323 L337L16-V18 HydrophobicContact CD2-CG2 3.92Å; L16-V42 HydrophobicContact CD2-CB 3.97Å; L16-V42 HydrophobicContact CD2-CG1 3.92Å; L16-V42 HydrophobicContact CD2-CG2 3.71Å; L16-F67 HydrophobicContact CB-CD2 3.68Å; L16-F67 HydrophobicContact CB-CE2 4.01Å; L16-F67 HydrophobicContact CB-CG 4.06Å; L16-F67 HydrophobicContact CD1-CE2 4.11Å; L16-F67 HydrophobicContact CD1-CZ 4.22Å; L16-F67 HydrophobicContact CD2-CD2 4.23Å; L16-F67 HydrophobicContact CD2-CE2 3.93Å; L16-F67 HydrophobicContact CG-CD2 4.38Å; L16-F67 HydrophobicContact CG-CE2 4.23Å; L16-V69 PolarHBondContact N-O 3.07Å; L16-F71 WeakPolarHBondContact O-CD2 3.26Å; L16-F71 PolarHBondContact O-N 3.06Å; L16-A321 CarbonylContact C-O 3.47Å; L16-A321 WeakPolarHBondContact CA-O 3.21Å; L16-A321 HydrophobicContact CD1-CB 3.82Å; L16-I323 HydrophobicContact CD1-CG2 4.39Å; L16-I323 HydrophobicContact CD2-CD1 3.98Å; L16-I323 HydrophobicContact CD2-CG1 4.32Å; L16-L337 HydrophobicContact CD1-CD2 3.67Å; L16-L337 HydrophobicContact CD2-CD2 3.64Å; L16-L337 HydrophobicContact CG-CD2 4.31Å
17R97.7Very high90.1Very high15 Ų1553.5 Ų53.56%0.05729%0.286CS..EExtended strand (participates in β ladder)trans-119115.9167.6-165.9174.6-162.4-1778.2110.5F71 A75 T113 A321 H322 I323R17-F71 HydrophobicContact CB-CB 4.33Å; R17-F71 HydrophobicContact CB-CD2 4.48Å; R17-F71 HydrophobicContact CG-CB 4.04Å; R17-A75 PolarHBondContact NH2-O 3.17Å; R17-T113 WeakPolarHBondContact CD-OG1 3.42Å; R17-T113 PolarHBondContact NH1-OG1 3.03Å; R17-A321 PolarHBondContact N-O 3.36Å; R17-H322 WeakPolarHBondContact O-CA 3.45Å; R17-I323 PolarHBondContact O-N 3.49Å; R17-I323 VanDerWaalsContact O-N 3.11Å
18V97.5Very high91.6Very high6 Ų657.2 Ų57.24%0.03630%0.297CS..EExtended strand (participates in β ladder)trans-90.1117.8167.2-167.80000107L16 A34 V42 F71 D72 I323 P325L16-V18 HydrophobicContact CD2-CG2 3.92Å; V18-A34 HydrophobicContact CG1-CB 4.19Å; V18-V42 HydrophobicContact CG2-CG1 4.35Å; V18-F71 PolarHBondContact N-O 3.5Å; V18-D72 CarbonylContact O-C 3.5Å; V18-D72 VanDerWaalsContact O-CA 3.28Å; V18-D72 WeakPolarHBondContact O-CA 3.47Å; V18-I323 HydrophobicContact CB-CG1 4.36Å; V18-I323 HydrophobicContact CG1-CG1 4.31Å; V18-I323 HydrophobicContact CG2-CD1 4Å; V18-I323 HydrophobicContact CG2-CG1 3.93Å; V18-P325 HydrophobicContact CG1-CB 3.8Å; V18-P325 HydrophobicContact CG1-CG 4.32Å
19R96Very high92.7Very high49 Ų4954 Ų5419%0.18530%0.3CS..PPolyproline II helixtrans-77.3165.8175.568.5143.5169.371.80.4111.1E25 G107 I323 S324 P325R19-E25 IonicContact CZ-OE1 2.72Å; R19-E25 IonicContact CZ-OE2 2.72Å; R19-E25 IonicContact NH1-OE1 3.19Å; R19-E25 PolarHBondContact NH1-OE1 3.39Å; R19-E25 IonicContact NH1-OE2 3.03Å; R19-E25 PolarHBondContact NH1-OE2 3.35Å; R19-E25 VanDerWaalsContact NH2-CD 3.31Å; R19-E25 IonicContact NH2-OE1 3.82Å; R19-E25 PolarHBondContact NH2-OE1 3.15Å; R19-E25 IonicContact NH2-OE2 3.57Å; R19-E25 PolarHBondContact NH2-OE2 2.92Å; R19-G107 PolarHBondContact NE-O 3.45Å; R19-I323 PolarHBondContact N-O 3.47Å; R19-S324 PolarHBondContact NH1-OG 2.83Å; R19-P325 VanDerWaalsContact O-CD 3.25Å; R19-P325 WeakPolarHBondContact O-CD 3.37Å; R19-P325 WeakPolarHBondContact O-CG 3.44Å
20P95.9Very high93.4Very high77 Ų7750.6 Ų50.650%0.528%0.282SS..PPolyproline II helixtrans-56154.1165.7-18.529.9000111.1F73P20-F73 HydrophobicContact CB-CB 4.24Å; P20-F73 HydrophobicContact CG-CB 3.8Å
21I94.5Very high93.8Very high41 Ų4150.7 Ų50.721%0.2129%0.289CS..PPolyproline II helixtrans-65.6140.7166.2-168163.7000109.2E25 L26 L32 P325 A326I21-E25 HydrophobicContact CD1-CB 4.3Å; I21-E25 HydrophobicContact CG1-CB 3.76Å; I21-L26 HydrophobicContact CD1-CD2 3.8Å; I21-L26 HydrophobicContact CD1-CG 4.24Å; I21-L26 HydrophobicContact CG1-CD2 4.31Å; I21-L26 HydrophobicContact CG1-CG 4.25Å; I21-L26 HydrophobicContact CG2-CD1 4.3Å; I21-L26 HydrophobicContact CG2-CD2 4.24Å; I21-L26 HydrophobicContact CG2-CG 4.3Å; I21-L32 HydrophobicContact CB-CD2 3.92Å; I21-L32 HydrophobicContact CD1-CD2 4.04Å; I21-L32 HydrophobicContact CG2-CD2 4.13Å; I21-P325 HydrophobicContact CB-CG 4.01Å; I21-A326 HydrophobicContact CD1-CB 4.25Å; I21-A326 HydrophobicContact CG1-CB 4.36Å
22S93.5Very high94.1Very high41 Ų4152.3 Ų52.329%0.28730%0.299SS..PPolyproline II helixtrans-86.6163-178.684.40000111.9A24 E25 L26S22-A24 VanDerWaalsContact C-N 3.35Å; S22-A24 PolarHBondContact OG-N 2.68Å; S22-E25 PolarHBondContact N-OE2 3.24Å; S22-E25 PolarHBondContact O-N 3.44Å; S22-E25 WeakPolarHBondContact OG-CG 3.39Å; S22-E25 PolarHBondContact OG-N 3.34Å; S22-E25 PolarHBondContact OG-OE2 3.47Å; S22-L26 WeakPolarHBondContact O-CG 3.37Å; S22-L26 PolarHBondContact O-N 3.36Å; S22-L26 VanDerWaalsContact O-N 3.16Å
23V94.1Very high94.2Very high102 Ų10252.4 Ų52.462%0.61830%0.299SS*.Hα-helixtrans-61.8-44.7174.2-177.50000110.5E25 L26 E27V23-E25 VanDerWaalsContact C-N 3.31Å; V23-E25 PolarHBondContact O-N 2.84Å; V23-L26 WeakPolarHBondContact O-CA 3.34Å; V23-L26 WeakPolarHBondContact O-CB 3.41Å; V23-L26 PolarHBondContact O-N 3.45Å; V23-E27 HydrophobicContact CG1-CG 4.38Å; V23-E27 WeakPolarHBondContact O-CG 3.49Å; V23-E27 PolarHBondContact O-N 2.97Å
24A91.3Very high94.2Very high52 Ų5249.8 Ų49.843%0.4329%0.288SS..Hα-helixtrans-60.8-36.917700000112.9S22 L26 E27 E28S22-A24 VanDerWaalsContact C-N 3.35Å; S22-A24 PolarHBondContact OG-N 2.68Å; A24-L26 VanDerWaalsContact C-N 3.33Å; A24-L26 PolarHBondContact O-N 3.44Å; A24-E27 PolarHBondContact O-N 3Å; A24-E28 WeakPolarHBondContact O-CB 3.26Å; A24-E28 WeakPolarHBondContact O-CG 3.46Å; A24-E28 PolarHBondContact O-N 2.87Å
25E93.5Very high94.1Very high17 Ų1752.7 Ų52.78%0.07930%0.301CS..Hα-helixtrans-67.9-32.8175-74.2167.715600112.1R19 I21 S22 V23 G29 A30 S324 A326R19-E25 IonicContact CZ-OE1 2.72Å; R19-E25 IonicContact CZ-OE2 2.72Å; R19-E25 IonicContact NH1-OE1 3.19Å; R19-E25 PolarHBondContact NH1-OE1 3.39Å; R19-E25 IonicContact NH1-OE2 3.03Å; R19-E25 PolarHBondContact NH1-OE2 3.35Å; R19-E25 VanDerWaalsContact NH2-CD 3.31Å; R19-E25 IonicContact NH2-OE1 3.82Å; R19-E25 PolarHBondContact NH2-OE1 3.15Å; R19-E25 IonicContact NH2-OE2 3.57Å; R19-E25 PolarHBondContact NH2-OE2 2.92Å; I21-E25 HydrophobicContact CD1-CB 4.3Å; I21-E25 HydrophobicContact CG1-CB 3.76Å; S22-E25 PolarHBondContact N-OE2 3.24Å; S22-E25 PolarHBondContact O-N 3.44Å; S22-E25 WeakPolarHBondContact OG-CG 3.39Å; S22-E25 PolarHBondContact OG-N 3.34Å; S22-E25 PolarHBondContact OG-OE2 3.47Å; V23-E25 VanDerWaalsContact C-N 3.31Å; V23-E25 PolarHBondContact O-N 2.84Å; E25-G29 PolarHBondContact O-N 3.1Å; E25-A30 HydrophobicContact CB-CB 4.3Å; E25-A30 WeakPolarHBondContact O-CA 3.35Å; E25-A30 WeakPolarHBondContact O-CB 3.38Å; E25-A30 PolarHBondContact O-N 3.22Å; E25-S324 WeakPolarHBondContact OE1-CB 3.35Å; E25-S324 PolarHBondContact OE1-OG 3Å; E25-S324 PolarHBondContact OE2-OG 3.16Å; E25-A326 HydrophobicContact CB-CB 3.94Å; E25-A326 HydrophobicContact CG-CB 3.78Å; E25-A326 WeakPolarHBondContact OE1-CB 3.33Å
26L93.2Very high93.9Very high103 Ų10355.6 Ų55.654%0.53931%0.314SS..Hα-helixtrans-72.1-35.6172.9-66.6168.6000111.8I21 S22 V23 A24 G29I21-L26 HydrophobicContact CD1-CD2 3.8Å; I21-L26 HydrophobicContact CD1-CG 4.24Å; I21-L26 HydrophobicContact CG1-CD2 4.31Å; I21-L26 HydrophobicContact CG1-CG 4.25Å; I21-L26 HydrophobicContact CG2-CD1 4.3Å; I21-L26 HydrophobicContact CG2-CD2 4.24Å; I21-L26 HydrophobicContact CG2-CG 4.3Å; S22-L26 WeakPolarHBondContact O-CG 3.37Å; S22-L26 PolarHBondContact O-N 3.36Å; S22-L26 VanDerWaalsContact O-N 3.16Å; V23-L26 WeakPolarHBondContact O-CA 3.34Å; V23-L26 WeakPolarHBondContact O-CB 3.41Å; V23-L26 PolarHBondContact O-N 3.45Å; A24-L26 VanDerWaalsContact C-N 3.33Å; A24-L26 PolarHBondContact O-N 3.44Å; L26-G29 WeakPolarHBondContact O-CA 3.44Å; L26-G29 PolarHBondContact O-N 3.16Å
27E93.5Very high93.7Very high155 Ų15560.5 Ų60.572%0.72434%0.338SS*.Hα-helixtrans-69.3-34.6174.7-69.9167.4164.600112.2V23 A24 G29V23-E27 HydrophobicContact CG1-CG 4.38Å; V23-E27 WeakPolarHBondContact O-CG 3.49Å; V23-E27 PolarHBondContact O-N 2.97Å; A24-E27 PolarHBondContact O-N 3Å; E27-G29 PolarHBondContact O-N 3.42Å
28E90.5Very high93.4Very high132 Ų13264.5 Ų64.562%0.61736%0.36SS*.THydrogen-bonded Turntrans-67.4-7.7166.7-74.9178.4-178.100113.3A24A24-E28 WeakPolarHBondContact O-CB 3.26Å; A24-E28 WeakPolarHBondContact O-CG 3.46Å; A24-E28 PolarHBondContact O-N 2.87Å
29G89.3Confident93.2Very high59 Ų5970.8 Ų70.861%0.60839%0.389SS*.THydrogen-bonded Turntrans76.720.6-178.200000114.4E25 L26 E27E25-G29 PolarHBondContact O-N 3.1Å; L26-G29 WeakPolarHBondContact O-CA 3.44Å; L26-G29 PolarHBondContact O-N 3.16Å; E27-G29 PolarHBondContact O-N 3.42Å
30A91.4Very high93.1Very high8 Ų872.4 Ų72.47%0.06640%0.399CS..PPolyproline II helixtrans-71.4143.5-178.400000112.6E25 A326 S327 T328E25-A30 HydrophobicContact CB-CB 4.3Å; E25-A30 WeakPolarHBondContact O-CA 3.35Å; E25-A30 WeakPolarHBondContact O-CB 3.38Å; E25-A30 PolarHBondContact O-N 3.22Å; A30-A326 HydrophobicContact CB-CB 3.81Å; A30-S327 WeakPolarHBondContact CA-OG 3.37Å; A30-T328 HydrophobicContact CB-CG2 4.01Å
31T91.5Very high93.1Very high82 Ų8272 Ų7250%0.50339%0.392SS..PPolyproline II helixtrans-100.5157.3177.453.40000111.2I33 A326 S327T31-I33 PolarHBondContact O-N 3.41Å; T31-A326 CarbonylContact O-C 3.57Å; T31-A326 WeakPolarHBondContact O-CA 3.34Å; T31-S327 PolarHBondContact N-OG 3.5Å; T31-S327 PolarHBondContact O-N 3.11Å; T31-S327 WeakPolarHBondContact OG1-CB 3.3Å; T31-S327 PolarHBondContact OG1-OG 3.45Å
32L93.4Very high93.2Very high95 Ų9570.1 Ų70.150%0.49738%0.382SS..BIsolated β-bridgetrans-71.1127.4171.3-65.9173.5000109.9I21 P325I21-L32 HydrophobicContact CB-CD2 3.92Å; I21-L32 HydrophobicContact CD1-CD2 4.04Å; I21-L32 HydrophobicContact CG2-CD2 4.13Å; L32-P325 CarbonylContact C-O 3.51Å; L32-P325 WeakPolarHBondContact CA-O 3.47Å; L32-P325 HydrophobicContact CD2-CB 3.82Å; L32-P325 HydrophobicContact CD2-CG 3.97Å
33I93.8Very high93.2Very high4 Ų468.4 Ų68.42%0.02137%0.37CS..  trans-127.2-14.1179.155.8154.1000114T31 L44 M45 P47 P325 A326 F330T31-I33 PolarHBondContact O-N 3.41Å; I33-L44 HydrophobicContact CD1-CD1 3.92Å; I33-L44 HydrophobicContact CG1-CD1 4.38Å; I33-L44 CarbonylContact O-C 3.55Å; I33-L44 WeakPolarHBondContact O-CA 3.49Å; I33-M45 HydrophobicContact CB-CB 4.42Å; I33-M45 PolarHBondContact O-N 2.94Å; I33-P47 HydrophobicContact CG2-CB 4.12Å; I33-P325 WeakPolarHBondContact CG1-O 3.29Å; I33-P325 PolarHBondContact N-O 3.29Å; I33-A326 WeakPolarHBondContact CD1-O 3.31Å; I33-F330 HydrophobicContact CD1-CB 3.68Å; I33-F330 HydrophobicContact CD1-CD2 3.8Å; I33-F330 HydrophobicContact CD1-CG 4.24Å
34A95Very high93.2Very high8 Ų863.7 Ų63.77%0.06634%0.341CS..EExtended strand (participates in β ladder)trans-111.8116.9179.600000110.1V18 V43 L44 I323 P325V18-A34 HydrophobicContact CG1-CB 4.19Å; A34-V43 WeakPolarHBondContact CA-O 3.46Å; A34-L44 HydrophobicContact CB-CD1 4.01Å; A34-I323 HydrophobicContact CB-CD1 3.88Å; A34-P325 HydrophobicContact CB-CB 4.25Å
35H94.2Very high93.3Very high61 Ų6164 Ų6428%0.28233%0.334SS..EExtended strand (participates in β ladder)trans-123.1123.2-175.5-61.9-82.5000110.5M37 V42 V43H35-M37 HydrophobicContact CB-CE 4.05Å; H35-M37 PolarHBondContact O-N 2.81Å; H35-V42 WeakPolarHBondContact O-CA 3.2Å; H35-V43 PolarHBondContact N-O 3.35Å; H35-V43 PolarHBondContact O-N 3.21Å
36K95.1Very high92.9Very high61 Ų6164.3 Ų64.327%0.26534%0.336SS..EExtended strand (participates in β ladder)trans-68.8120163.2-178.3-177.5171.1172.80107.7D38 A70 D72K36-D38 WeakPolarHBondContact CE-O 3.43Å; K36-D38 VanDerWaalsContact CG-O 3.22Å; K36-D38 WeakPolarHBondContact CG-O 3.47Å; K36-A70 WeakPolarHBondContact CD-O 3.47Å; K36-A70 WeakPolarHBondContact CE-O 3.29Å; K36-A70 HydrophobicContact CG-CB 4.45Å; K36-A70 PolarHBondContact NZ-O 3.01Å; K36-D72 HydrophobicContact CB-CB 4.16Å; K36-D72 HydrophobicContact CD-CB 4.33Å; K36-D72 WeakPolarHBondContact CD-OD2 3.41Å
37M93Very high92.2Very high102 Ų10261.4 Ų61.450%0.50232%0.324SS..  trans-99-25.3177.3-65-62.5-172.400111.9H35 M41 V43H35-M37 HydrophobicContact CB-CE 4.05Å; H35-M37 PolarHBondContact O-N 2.81Å; M37-M41 HydrophobicContact CB-CG 4.45Å; M37-M41 PolarHBondContact N-O 3.07Å; M37-V43 HydrophobicContact CE-CB 3.92Å; M37-V43 HydrophobicContact CE-CG1 4.39Å; M37-V43 HydrophobicContact CE-CG2 3.98Å; M37-V43 HydrophobicContact CG-CB 4.18Å; M37-V43 HydrophobicContact CG-CG2 3.64Å
38D91.5Very high91.1Very high99 Ų9959.1 Ų59.153%0.52931%0.314SS..SBendtrans-158.9172.3-178.5-171.318.2000109.6K36 Q40 M41K36-D38 WeakPolarHBondContact CE-O 3.43Å; K36-D38 VanDerWaalsContact CG-O 3.22Å; K36-D38 WeakPolarHBondContact CG-O 3.47Å; D38-Q40 PolarHBondContact O-N 3Å; D38-M41 HydrophobicContact CB-CB 4.02Å; D38-M41 PolarHBondContact N-O 3.44Å; D38-M41 PolarHBondContact O-N 3.44Å
39E93.3Very high89.5Confident138 Ų13859.9 Ų59.965%0.64532%0.318SS*.SBendtrans-58.2-15.8178-66.1-159149.800114.9V69 A70E39-V69 CarbonylContact O-C 3.6Å; E39-V69 WeakPolarHBondContact O-CA 3.45Å; E39-A70 PolarHBondContact O-N 2.87Å
40Q94.6Very high88Confident84 Ų8461.5 Ų61.539%0.39331%0.312SS..SBendtrans-124-12.1177-61.8-168.2-27.500114.4D38 L66 F67 D68D38-Q40 PolarHBondContact O-N 3Å; Q40-L66 HydrophobicContact CB-CD1 3.8Å; Q40-L66 WeakPolarHBondContact O-CA 3.48Å; Q40-F67 PolarHBondContact O-N 3.41Å; Q40-D68 PolarHBondContact NE2-O 3.26Å
41M95.4Very high86.4Confident69 Ų6966.6 Ų66.634%0.3435%0.345SS..EExtended strand (participates in β ladder)trans-115.1127.9-166.5-172.5179.4173.400112.1M37 D38 V43 L66M37-M41 HydrophobicContact CB-CG 4.45Å; M37-M41 PolarHBondContact N-O 3.07Å; D38-M41 HydrophobicContact CB-CB 4.02Å; D38-M41 PolarHBondContact N-O 3.44Å; D38-M41 PolarHBondContact O-N 3.44Å; M41-V43 HydrophobicContact CE-CG2 4.17Å; M41-L66 HydrophobicContact CB-CD1 4.28Å
42V95.7Very high84.9Confident0 Ų069.3 Ų69.30%036%0.356CS..EExtended strand (participates in β ladder)trans-128131.3176.7-178.50000109.8L16 V18 H35 Y65 A70L16-V42 HydrophobicContact CD2-CB 3.97Å; L16-V42 HydrophobicContact CD2-CG1 3.92Å; L16-V42 HydrophobicContact CD2-CG2 3.71Å; V18-V42 HydrophobicContact CG2-CG1 4.35Å; H35-V42 WeakPolarHBondContact O-CA 3.2Å; V42-Y65 PolarHBondContact N-O 2.96Å; V42-Y65 PolarHBondContact O-N 2.94Å; V42-A70 HydrophobicContact CG2-CB 3.68Å
43V94.7Very high83.6Confident6 Ų667.1 Ų67.14%0.03635%0.345CS..EExtended strand (participates in β ladder)trans-103.3130.4175.8173.50000109A34 H35 M37 M41 M45 E62A34-V43 WeakPolarHBondContact CA-O 3.46Å; H35-V43 PolarHBondContact N-O 3.35Å; H35-V43 PolarHBondContact O-N 3.21Å; M37-V43 HydrophobicContact CE-CB 3.92Å; M37-V43 HydrophobicContact CE-CG1 4.39Å; M37-V43 HydrophobicContact CE-CG2 3.98Å; M37-V43 HydrophobicContact CG-CB 4.18Å; M37-V43 HydrophobicContact CG-CG2 3.64Å; M41-V43 HydrophobicContact CE-CG2 4.17Å; V43-M45 HydrophobicContact CG1-CG 4.43Å; V43-E62 HydrophobicContact CG1-CB 3.8Å; V43-E62 HydrophobicContact CG1-CG 3.85Å
44L94.4Very high82.3Confident3 Ų373.5 Ų73.52%0.01638%0.378CS..EExtended strand (participates in β ladder)trans-103.1125.9168.2-166.277.5000108.8I33 A34 K63 Y65 F330 R334 L337I33-L44 HydrophobicContact CD1-CD1 3.92Å; I33-L44 HydrophobicContact CG1-CD1 4.38Å; I33-L44 CarbonylContact O-C 3.55Å; I33-L44 WeakPolarHBondContact O-CA 3.49Å; A34-L44 HydrophobicContact CB-CD1 4.01Å; L44-K63 PolarHBondContact N-O 3.27Å; L44-K63 PolarHBondContact O-N 3.4Å; L44-Y65 HydrophobicContact CB-CE2 4.14Å; L44-F330 HydrophobicContact CD2-CD2 3.74Å; L44-F330 HydrophobicContact CD2-CE2 3.52Å; L44-F330 HydrophobicContact CD2-CZ 4.44Å; L44-F330 HydrophobicContact CG-CD2 4.03Å; L44-F330 HydrophobicContact CG-CE2 3.92Å; L44-R334 HydrophobicContact CD2-CB 3.64Å; L44-R334 HydrophobicContact CD2-CG 4.06Å; L44-L337 HydrophobicContact CB-CD1 3.97Å; L44-L337 HydrophobicContact CD1-CD1 4Å; L44-L337 HydrophobicContact CD2-CD1 4Å; L44-L337 HydrophobicContact CG-CD1 4.22Å
45M91.7Very high80.8Confident58 Ų5879.7 Ų79.729%0.28641%0.409SS..EExtended strand (participates in β ladder)trans-94.6137.6175.4-60.5-174.3174.500110.2I33 V43 P47 R61 E62 F330I33-M45 HydrophobicContact CB-CB 4.42Å; I33-M45 PolarHBondContact O-N 2.94Å; V43-M45 HydrophobicContact CG1-CG 4.43Å; M45-P47 WeakPolarHBondContact O-CD 3.41Å; M45-R61 CarbonylContact C-O 3.57Å; M45-R61 WeakPolarHBondContact CA-O 3.33Å; M45-E62 HydrophobicContact CE-CG 4.29Å; M45-E62 HydrophobicContact CG-CG 4.13Å; M45-F330 WeakPolarHBondContact O-CD2 3.43Å; M45-F330 WeakPolarHBondContact O-CE2 3.28Å
46D86.4Confident79.3Confident23 Ų2379.9 Ų79.912%0.12341%0.407CS..  trans-83.3115.5174.7-159-51.4000110.3M48 R56 R61 F330D46-M48 VanDerWaalsContact C-N 3.3Å; D46-M48 PolarHBondContact O-N 3.12Å; D46-M48 PolarHBondContact OD1-N 2.87Å; D46-R56 IonicContact OD1-CZ 2.77Å; D46-R56 IonicContact OD1-NH1 2.8Å; D46-R56 PolarHBondContact OD1-NH1 3.4Å; D46-R56 IonicContact OD1-NH2 2.72Å; D46-R56 IonicContact OD2-CZ 2.98Å; D46-R56 VanDerWaalsContact OD2-CZ 3.25Å; D46-R56 IonicContact OD2-NH1 3.72Å; D46-R56 PolarHBondContact OD2-NH1 3.23Å; D46-R56 IonicContact OD2-NH2 3.17Å; D46-R56 PolarHBondContact OD2-NH2 3.09Å; D46-R61 PolarHBondContact N-O 3.13Å; D46-R61 PolarHBondContact O-NE 3.43Å; D46-R61 PolarHBondContact O-NH2 3.16Å; D46-F330 HydrophobicContact CB-CE2 4.03Å; D46-F330 HydrophobicContact CB-CZ 3.82Å; D46-F330 WeakPolarHBondContact OD2-CE1 3.46Å; D46-F330 WeakPolarHBondContact OD2-CZ 3.36Å
47P78.9Confident77.6Confident43 Ų4380.5 Ų80.528%0.27942%0.424SS..  trans-77-12.8-172.131.2-35.9000113.6I33 M45 E49 F330I33-P47 HydrophobicContact CG2-CB 4.12Å; M45-P47 WeakPolarHBondContact O-CD 3.41Å; P47-E49 PolarHBondContact O-N 3.14Å; P47-F330 HydrophobicContact CG-CB 4.03Å; P47-F330 HydrophobicContact CG-CD2 4.43Å; P47-F330 HydrophobicContact CG-CG 4.1Å
48M69.3Low76Confident107 Ų10784.6 Ų84.653%0.52744%0.441SS..  trans-82.2102.6-173.9-60.9-165.7-60.300111.7D46 D50 R56D46-M48 VanDerWaalsContact C-N 3.3Å; D46-M48 PolarHBondContact O-N 3.12Å; D46-M48 PolarHBondContact OD1-N 2.87Å; M48-D50 VanDerWaalsContact C-N 3.3Å; M48-D50 PolarHBondContact O-N 3.19Å; M48-R56 VanDerWaalsContact CE-CZ 3.45Å
49E57.5Low74.7Confident147 Ų14788.3 Ų88.369%0.68745%0.448SS*.  trans-87.469.9163.8-63.3-171.7179.100109.7P47 P51 R61P47-E49 PolarHBondContact O-N 3.14Å; E49-P51 WeakPolarHBondContact O-CD 3.36Å; E49-R61 IonicContact OE1-CZ 3.97Å; E49-R61 IonicContact OE1-NH1 2.68Å; E49-R61 PolarHBondContact OE1-NH1 2.97Å; E49-R61 IonicContact OE1-NH2 2.67Å; E49-R61 PolarHBondContact OE1-NH2 3.03Å
50D58.3Low73.6Confident93 Ų9386.5 Ų86.550%0.49745%0.451SS..  trans-90.3107.1167.6-168.1-22000108.6M48 D52 D53M48-D50 VanDerWaalsContact C-N 3.3Å; M48-D50 PolarHBondContact O-N 3.19Å; D50-D52 PolarHBondContact O-N 3.29Å; D50-D52 PolarHBondContact OD1-N 3.2Å; D50-D53 HydrophobicContact CB-CB 4.42Å; D50-D53 PolarHBondContact O-N 3.44Å
51P57.8Low72.8Confident115 Ų11588.5 Ų88.575%0.74746%0.455SS*.THydrogen-bonded Turntrans-69.6-17.1179.430.6-35.6000112.9E49E49-P51 WeakPolarHBondContact O-CD 3.36Å
52D58.1Low72.3Confident139 Ų13990.5 Ų90.574%0.74346%0.463SS*.THydrogen-bonded Turntrans-89.2-12.9-178.7-66.4-29.6000112.6D50 I54D50-D52 PolarHBondContact O-N 3.29Å; D50-D52 PolarHBondContact OD1-N 3.2Å; D52-I54 VanDerWaalsContact C-N 3.31Å; D52-I54 PolarHBondContact O-N 3.18Å
53D66.2Low72.1Confident49 Ų4995.2 Ų95.226%0.26248%0.484SS..  trans-79.778.2171.7-166.2-14.9000112.2D50 L55 R56 A57D50-D53 HydrophobicContact CB-CB 4.42Å; D50-D53 PolarHBondContact O-N 3.44Å; D53-L55 PolarHBondContact O-N 3Å; D53-L55 VanDerWaalsContact O-N 3.09Å; D53-L55 VanDerWaalsContact OD1-CA 3.31Å; D53-L55 WeakPolarHBondContact OD1-CA 3.4Å; D53-L55 VanDerWaalsContact OD1-CB 3.23Å; D53-L55 WeakPolarHBondContact OD1-CB 3.36Å; D53-L55 PolarHBondContact OD1-N 3.05Å; D53-R56 HydrophobicContact CB-CB 4.09Å; D53-R56 HydrophobicContact CB-CG 4.34Å; D53-R56 WeakPolarHBondContact O-CB 3.43Å; D53-R56 PolarHBondContact O-N 2.83Å; D53-R56 PolarHBondContact OD1-N 3.25Å; D53-R56 VanDerWaalsContact OD1-N 3.08Å; D53-R56 WeakPolarHBondContact OD2-CD 3.3Å; D53-R56 WeakPolarHBondContact OD2-CG 3.43Å; D53-R56 IonicContact OD2-NE 3.75Å; D53-A57 PolarHBondContact O-N 3.38Å; D53-A57 VanDerWaalsContact O-N 3.08Å
54I67.3Low72Confident139 Ų13998.3 Ų98.371%0.71351%0.506SS*.THydrogen-bonded Turntrans-53.4-26.2172.2-56.9162.4000112.1D52 R56D52-I54 VanDerWaalsContact C-N 3.31Å; D52-I54 PolarHBondContact O-N 3.18Å; I54-R56 VanDerWaalsContact C-N 3.35Å
55L64.2Low72.1Confident137 Ų13799.2 Ų99.272%0.71751%0.509SS*.THydrogen-bonded Turntrans-80.6-16.4179.1-52176.1000112.9D53 R59D53-L55 PolarHBondContact O-N 3Å; D53-L55 VanDerWaalsContact O-N 3.09Å; D53-L55 VanDerWaalsContact OD1-CA 3.31Å; D53-L55 WeakPolarHBondContact OD1-CA 3.4Å; D53-L55 VanDerWaalsContact OD1-CB 3.23Å; D53-L55 WeakPolarHBondContact OD1-CB 3.36Å; D53-L55 PolarHBondContact OD1-N 3.05Å; L55-R59 PolarHBondContact O-NE 2.83Å; L55-R59 VanDerWaalsContact O-NE 3.16Å
56R63Low72.3Confident65 Ų65101.2 Ų101.225%0.24552%0.521CS..THydrogen-bonded Turntrans-96.1-30.8172.2-81.2179158.8-119.5-13.9113.9D46 M48 D53 I54 H58 R59D46-R56 IonicContact OD1-CZ 2.77Å; D46-R56 IonicContact OD1-NH1 2.8Å; D46-R56 PolarHBondContact OD1-NH1 3.4Å; D46-R56 IonicContact OD1-NH2 2.72Å; D46-R56 IonicContact OD2-CZ 2.98Å; D46-R56 VanDerWaalsContact OD2-CZ 3.25Å; D46-R56 IonicContact OD2-NH1 3.72Å; D46-R56 PolarHBondContact OD2-NH1 3.23Å; D46-R56 IonicContact OD2-NH2 3.17Å; D46-R56 PolarHBondContact OD2-NH2 3.09Å; M48-R56 VanDerWaalsContact CE-CZ 3.45Å; D53-R56 HydrophobicContact CB-CB 4.09Å; D53-R56 HydrophobicContact CB-CG 4.34Å; D53-R56 WeakPolarHBondContact O-CB 3.43Å; D53-R56 PolarHBondContact O-N 2.83Å; D53-R56 PolarHBondContact OD1-N 3.25Å; D53-R56 VanDerWaalsContact OD1-N 3.08Å; D53-R56 WeakPolarHBondContact OD2-CD 3.3Å; D53-R56 WeakPolarHBondContact OD2-CG 3.43Å; D53-R56 IonicContact OD2-NE 3.75Å; I54-R56 VanDerWaalsContact C-N 3.35Å; R56-H58 PolarHBondContact O-N 3.33Å; R56-R59 WeakPolarHBondContact O-CB 3.39Å; R56-R59 PolarHBondContact O-N 2.71Å
57A58.9Low72.7Confident75 Ų75100.1 Ų100.162%0.6252%0.515SS*.THydrogen-bonded Turntrans-49.9-27.8-172.100000116.1D53D53-A57 PolarHBondContact O-N 3.38Å; D53-A57 VanDerWaalsContact O-N 3.08Å
58H58.4Low73.6Confident187 Ų187100.4 Ų100.487%0.86651%0.514SS*.THydrogen-bonded Turntrans-1039.2178.1-69.1-60000115.4R56R56-H58 PolarHBondContact O-N 3.33Å
59R65.6Low74.8Confident177 Ų17796.5 Ų96.567%0.66850%0.496SS*.SBendtrans-94.2149.2176.5-61.8-176.5-175.2177.63.2110.5L55 R56 R61L55-R59 PolarHBondContact O-NE 2.83Å; L55-R59 VanDerWaalsContact O-NE 3.16Å; R56-R59 WeakPolarHBondContact O-CB 3.39Å; R56-R59 PolarHBondContact O-N 2.71Å; R59-R61 PolarHBondContact O-N 3.13Å
60S68.8Low76.7Confident101 Ų10189.5 Ų89.571%0.70646%0.463SS*.  trans-64.4121.1168.161.60000109E62S60-E62 WeakPolarHBondContact CB-O 3.27Å; S60-E62 PolarHBondContact O-N 3.31Å; S60-E62 PolarHBondContact OG-O 2.94Å
61R77.8Confident78.6Confident126 Ų12685.6 Ų85.648%0.47544%0.442SS..SBendtrans-64.2-28.3172-68.7178.463.1-173.40.2111.4M45 D46 E49 R59M45-R61 CarbonylContact C-O 3.57Å; M45-R61 WeakPolarHBondContact CA-O 3.33Å; D46-R61 PolarHBondContact N-O 3.13Å; D46-R61 PolarHBondContact O-NE 3.43Å; D46-R61 PolarHBondContact O-NH2 3.16Å; E49-R61 IonicContact OE1-CZ 3.97Å; E49-R61 IonicContact OE1-NH1 2.68Å; E49-R61 PolarHBondContact OE1-NH1 2.97Å; E49-R61 IonicContact OE1-NH2 2.67Å; E49-R61 PolarHBondContact OE1-NH2 3.03Å; R59-R61 PolarHBondContact O-N 3.13Å
62E85.4Confident80.4Confident110 Ų11081.4 Ų81.451%0.51441%0.413SS..EExtended strand (participates in β ladder)trans-82.6135.3169.6-69.9170.3-143.300111.2V43 M45 S60V43-E62 HydrophobicContact CG1-CB 3.8Å; V43-E62 HydrophobicContact CG1-CG 3.85Å; M45-E62 HydrophobicContact CE-CG 4.29Å; M45-E62 HydrophobicContact CG-CG 4.13Å; S60-E62 WeakPolarHBondContact CB-O 3.27Å; S60-E62 PolarHBondContact O-N 3.31Å; S60-E62 PolarHBondContact OG-O 2.94Å
63K91.2Very high82.1Confident99 Ų9982 Ų8243%0.4341%0.41SS..EExtended strand (participates in β ladder)trans-130.2118.1166.6-175.8178.2171.1-159.30110.2L44 Y65L44-K63 PolarHBondContact N-O 3.27Å; L44-K63 PolarHBondContact O-N 3.4Å; K63-Y65 HydrophobicContact CB-CE2 4.3Å; K63-Y65 HydrophobicContact CD-CE1 4.48Å; K63-Y65 HydrophobicContact CD-CE2 4Å; K63-Y65 WeakPolarHBondContact CD-OH 3.47Å; K63-Y65 VanDerWaalsContact CE-CZ 3.49Å; K63-Y65 WeakPolarHBondContact CE-OH 3.48Å; K63-Y65 HydrophobicContact CG-CE2 3.9Å; K63-Y65 PolarHBondContact NZ-OH 2.89Å; K63-Y65 WeakPolarHBondContact O-CD2 3.42Å
64S93.1Very high83.4Confident71 Ų7183.7 Ų83.750%0.49742%0.422SS..EExtended strand (participates in β ladder)trans-79.6147.817550.80000112.7
65Y95.5Very high84.8Confident22 Ų2277.6 Ų77.69%0.08639%0.392CS..EExtended strand (participates in β ladder)trans-134.2143.8170.5-61.9-97.2000108.7V42 L44 K63 F67 R334 L337 T338V42-Y65 PolarHBondContact N-O 2.96Å; V42-Y65 PolarHBondContact O-N 2.94Å; L44-Y65 HydrophobicContact CB-CE2 4.14Å; K63-Y65 HydrophobicContact CB-CE2 4.3Å; K63-Y65 HydrophobicContact CD-CE1 4.48Å; K63-Y65 HydrophobicContact CD-CE2 4Å; K63-Y65 WeakPolarHBondContact CD-OH 3.47Å; K63-Y65 VanDerWaalsContact CE-CZ 3.49Å; K63-Y65 WeakPolarHBondContact CE-OH 3.48Å; K63-Y65 HydrophobicContact CG-CE2 3.9Å; K63-Y65 PolarHBondContact NZ-OH 2.89Å; K63-Y65 WeakPolarHBondContact O-CD2 3.42Å; Y65-F67 HydrophobicContact CG-CZ 4.45Å; Y65-R334 WeakPolarHBondContact OH-CG 3.4Å; Y65-L337 HydrophobicContact CD1-CB 3.75Å; Y65-L337 HydrophobicContact CD2-CB 4.01Å; Y65-L337 HydrophobicContact CD2-CD1 3.9Å; Y65-L337 HydrophobicContact CD2-CD2 4.17Å; Y65-L337 HydrophobicContact CD2-CG 4.27Å; Y65-L337 HydrophobicContact CE1-CB 3.6Å; Y65-L337 HydrophobicContact CE2-CB 3.87Å; Y65-L337 HydrophobicContact CE2-CD1 3.76Å; Y65-L337 HydrophobicContact CE2-CG 4.34Å; Y65-L337 HydrophobicContact CG-CB 3.94Å; Y65-L337 HydrophobicContact CG-CD2 4.12Å; Y65-L337 HydrophobicContact CG-CG 4.45Å; Y65-T338 PolarHBondContact OH-OG1 3.17Å
66L95.8Very high86.3Confident101 Ų10174.1 Ų74.153%0.52938%0.376SS..EExtended strand (participates in β ladder)trans-122.9122.8-177.1-172.575.7000110Q40 M41Q40-L66 HydrophobicContact CB-CD1 3.8Å; Q40-L66 WeakPolarHBondContact O-CA 3.48Å; M41-L66 HydrophobicContact CB-CD1 4.28Å
67F96.5Very high87.9Confident0 Ų071.3 Ų71.30%037%0.366CS..  trans-112.5-172.1-178.6-62.8-66.1000110.2V14 L16 Q40 Y65 L337 A340 K344V14-F67 HydrophobicContact CB-CD1 4.33Å; V14-F67 HydrophobicContact CG1-CD1 3.62Å; V14-F67 HydrophobicContact CG1-CE1 4.15Å; V14-F67 WeakPolarHBondContact O-CB 3.26Å; L16-F67 HydrophobicContact CB-CD2 3.68Å; L16-F67 HydrophobicContact CB-CE2 4.01Å; L16-F67 HydrophobicContact CB-CG 4.06Å; L16-F67 HydrophobicContact CD1-CE2 4.11Å; L16-F67 HydrophobicContact CD1-CZ 4.22Å; L16-F67 HydrophobicContact CD2-CD2 4.23Å; L16-F67 HydrophobicContact CD2-CE2 3.93Å; L16-F67 HydrophobicContact CG-CD2 4.38Å; L16-F67 HydrophobicContact CG-CE2 4.23Å; Q40-F67 PolarHBondContact O-N 3.41Å; Y65-F67 HydrophobicContact CG-CZ 4.45Å; F67-L337 HydrophobicContact CE2-CD2 3.53Å; F67-L337 HydrophobicContact CZ-CD2 3.58Å; F67-A340 HydrophobicContact CD1-CB 4.42Å; F67-A340 HydrophobicContact CE1-CB 3.61Å; F67-A340 HydrophobicContact CZ-CB 4.28Å; F67-K344 PolarHBondContact O-NZ 3.42Å
68D95.9Very high89.7Confident48 Ų4870.3 Ų70.326%0.25735%0.349SS..SBendtrans-89.3-29.1172.4-59.2-58.7000111.2M13 V14 Q40 K344M13-D68 HydrophobicContact CG-CB 4.07Å; V14-D68 PolarHBondContact N-OD2 3.36Å; V14-D68 PolarHBondContact O-N 3.05Å; Q40-D68 PolarHBondContact NE2-O 3.26Å; D68-K344 WeakPolarHBondContact OD1-CE 3.45Å; D68-K344 IonicContact OD1-NZ 3.57Å; D68-K344 PolarHBondContact OD1-NZ 2.89Å; D68-K344 IonicContact OD2-NZ 2.84Å
69V96.4Very high91.5Very high25 Ų2566.2 Ų66.215%0.15233%0.331CS..EExtended strand (participates in β ladder)trans-150.6147.3166.963.30000110.4A15 L16 E39 F71 A83 T84A15-V69 WeakPolarHBondContact CA-O 3.42Å; A15-V69 HydrophobicContact CB-CG1 3.53Å; L16-V69 PolarHBondContact N-O 3.07Å; E39-V69 CarbonylContact O-C 3.6Å; E39-V69 WeakPolarHBondContact O-CA 3.45Å; V69-F71 HydrophobicContact CB-CZ 4.24Å; V69-F71 HydrophobicContact CG1-CE2 3.68Å; V69-F71 HydrophobicContact CG1-CZ 3.63Å; V69-F71 HydrophobicContact CG2-CD1 4.26Å; V69-F71 HydrophobicContact CG2-CE1 3.59Å; V69-F71 HydrophobicContact CG2-CE2 4.17Å; V69-F71 HydrophobicContact CG2-CZ 3.53Å; V69-A83 HydrophobicContact CG2-CB 4.5Å; V69-T84 HydrophobicContact CG1-CG2 4.32Å
70A97.3Very high93Very high0 Ų057.9 Ų57.90%030%0.3CS..EExtended strand (participates in β ladder)trans-128.2125.1179.500000111K36 E39 V42K36-A70 WeakPolarHBondContact CD-O 3.47Å; K36-A70 WeakPolarHBondContact CE-O 3.29Å; K36-A70 HydrophobicContact CG-CB 4.45Å; K36-A70 PolarHBondContact NZ-O 3.01Å; E39-A70 PolarHBondContact O-N 2.87Å; V42-A70 HydrophobicContact CG2-CB 3.68Å
71F97.5Very high94.4Very high11 Ų1153.1 Ų53.15%0.04827%0.266CS..EExtended strand (participates in β ladder)trans-114.1144.1179.1-53.2-66.5000110.3A15 L16 R17 V18 V69 A75 V80 A83 T84A15-F71 HydrophobicContact CB-CE2 3.95Å; L16-F71 WeakPolarHBondContact O-CD2 3.26Å; L16-F71 PolarHBondContact O-N 3.06Å; R17-F71 HydrophobicContact CB-CB 4.33Å; R17-F71 HydrophobicContact CB-CD2 4.48Å; R17-F71 HydrophobicContact CG-CB 4.04Å; V18-F71 PolarHBondContact N-O 3.5Å; V69-F71 HydrophobicContact CB-CZ 4.24Å; V69-F71 HydrophobicContact CG1-CE2 3.68Å; V69-F71 HydrophobicContact CG1-CZ 3.63Å; V69-F71 HydrophobicContact CG2-CD1 4.26Å; V69-F71 HydrophobicContact CG2-CE1 3.59Å; V69-F71 HydrophobicContact CG2-CE2 4.17Å; V69-F71 HydrophobicContact CG2-CZ 3.53Å; F71-A75 HydrophobicContact CB-CB 3.7Å; F71-A75 HydrophobicContact CD1-CB 3.74Å; F71-A75 HydrophobicContact CG-CB 4.1Å; F71-V80 HydrophobicContact CB-CG2 4.32Å; F71-V80 HydrophobicContact CD1-CG2 3.95Å; F71-V80 HydrophobicContact CD2-CG1 4.27Å; F71-V80 HydrophobicContact CD2-CG2 3.92Å; F71-V80 HydrophobicContact CE1-CG2 4.2Å; F71-V80 HydrophobicContact CE2-CB 4.36Å; F71-V80 HydrophobicContact CE2-CG1 3.98Å; F71-V80 HydrophobicContact CE2-CG2 4.16Å; F71-V80 HydrophobicContact CG-CG2 3.81Å; F71-V80 HydrophobicContact CZ-CB 4.4Å; F71-V80 HydrophobicContact CZ-CG1 4.41Å; F71-V80 HydrophobicContact CZ-CG2 4.3Å; F71-A83 HydrophobicContact CE1-CB 4.08Å; F71-A83 HydrophobicContact CZ-CB 3.82Å; F71-T84 HydrophobicContact CE2-CG2 3.77Å; F71-T84 HydrophobicContact CZ-CG2 3.95Å
72D95.3Very high95.3Very high27 Ų2751.8 Ų51.814%0.14427%0.266CS..  trans-126.9-159.5170.661.517.6000110.1V18 K36 T74 A75V18-D72 CarbonylContact O-C 3.5Å; V18-D72 VanDerWaalsContact O-CA 3.28Å; V18-D72 WeakPolarHBondContact O-CA 3.47Å; K36-D72 HydrophobicContact CB-CB 4.16Å; K36-D72 HydrophobicContact CD-CB 4.33Å; K36-D72 WeakPolarHBondContact CD-OD2 3.41Å; D72-T74 PolarHBondContact O-N 3.08Å; D72-T74 VanDerWaalsContact O-N 3.16Å; D72-T74 VanDerWaalsContact OD1-CB 3.31Å; D72-T74 WeakPolarHBondContact OD1-CB 3.41Å; D72-T74 WeakPolarHBondContact OD1-CG2 3.3Å; D72-T74 PolarHBondContact OD1-N 3.28Å; D72-T74 PolarHBondContact OD1-OG1 2.9Å; D72-A75 PolarHBondContact O-N 3.28Å; D72-A75 VanDerWaalsContact O-N 3.13Å
73F92.9Very high95.8Very high153 Ų15348.8 Ų48.867%0.67126%0.259SS*.THydrogen-bonded Turntrans-63.2-13.5177.568.2-90.2000114.6P20 A75P20-F73 HydrophobicContact CB-CB 4.24Å; P20-F73 HydrophobicContact CG-CB 3.8Å; F73-A75 VanDerWaalsContact C-N 3.33Å
74T94.6Very high96Very high84 Ų8444 Ų4452%0.51524%0.239SC..THydrogen-bonded Turntrans-79.3-17175.268.20000112.8D72 T76D72-T74 PolarHBondContact O-N 3.08Å; D72-T74 VanDerWaalsContact O-N 3.16Å; D72-T74 VanDerWaalsContact OD1-CB 3.31Å; D72-T74 WeakPolarHBondContact OD1-CB 3.41Å; D72-T74 WeakPolarHBondContact OD1-CG2 3.3Å; D72-T74 PolarHBondContact OD1-N 3.28Å; D72-T74 PolarHBondContact OD1-OG1 2.9Å; T74-T76 PolarHBondContact O-N 3.02Å
75A95.7Very high96.1Very high11 Ų1140.7 Ų40.79%0.09122%0.215CC..  trans-89.9107.6-173.100000112.9R17 F71 D72 F73 V80R17-A75 PolarHBondContact NH2-O 3.17Å; F71-A75 HydrophobicContact CB-CB 3.7Å; F71-A75 HydrophobicContact CD1-CB 3.74Å; F71-A75 HydrophobicContact CG-CB 4.1Å; D72-A75 PolarHBondContact O-N 3.28Å; D72-A75 VanDerWaalsContact O-N 3.13Å; F73-A75 VanDerWaalsContact C-N 3.33Å; A75-V80 HydrophobicContact CB-CG2 4.22Å
76T96.5Very high96.1Very high63 Ų6343.7 Ų43.739%0.38723%0.228SC..  trans-64.4163.2174.872.70000112.1T74 E78 M79 V80T74-T76 PolarHBondContact O-N 3.02Å; T76-E78 PolarHBondContact O-N 3Å; T76-E78 PolarHBondContact OG1-N 3.01Å; T76-M79 HydrophobicContact CG2-CE 4.49Å; T76-M79 HydrophobicContact CG2-SD 4.22Å; T76-M79 PolarHBondContact O-N 3.29Å; T76-M79 VanDerWaalsContact O-N 3.16Å; T76-M79 WeakPolarHBondContact OG1-CG 3.36Å; T76-M79 PolarHBondContact OG1-N 3.01Å; T76-V80 PolarHBondContact O-N 3.47Å; T76-V80 VanDerWaalsContact O-N 3.11Å
77Q96.1Very high96Very high6 Ų642 Ų423%0.02823%0.226CC..Hα-helixtrans-54-37.2173.7-61.3-73.568.100113Y81 Y112 E120 P121Q77-Y81 VanDerWaalsContact O-CB 3.31Å; Q77-Y81 WeakPolarHBondContact O-CB 3.19Å; Q77-Y81 PolarHBondContact O-N 3.12Å; Q77-Y112 VanDerWaalsContact CD-CZ 3.47Å; Q77-Y112 PolarHBondContact NE2-O 3.35Å; Q77-E120 HydrophobicContact CG-CB 3.88Å; Q77-E120 PolarHBondContact NE2-O 3.46Å; Q77-P121 WeakPolarHBondContact CB-O 3.29Å
78E96.3Very high95.9Very high55 Ų5542.5 Ų42.526%0.25723%0.228SC..Hα-helixtrans-68.8-42.2178.9-177.158.8-156.700111.7T76 V80 Y81 Q82 R126T76-E78 PolarHBondContact O-N 3Å; T76-E78 PolarHBondContact OG1-N 3.01Å; E78-V80 VanDerWaalsContact C-N 3.34Å; E78-V80 PolarHBondContact O-N 3.28Å; E78-Y81 WeakPolarHBondContact O-CB 3.35Å; E78-Y81 PolarHBondContact O-N 2.88Å; E78-Q82 HydrophobicContact CG-CG 4.33Å; E78-Q82 WeakPolarHBondContact O-CB 3.34Å; E78-Q82 VanDerWaalsContact O-CG 3.31Å; E78-Q82 WeakPolarHBondContact O-CG 3.42Å; E78-Q82 PolarHBondContact O-N 3.32Å; E78-Q82 VanDerWaalsContact OE1-CG 3.28Å; E78-Q82 WeakPolarHBondContact OE1-CG 3.3Å; E78-Q82 PolarHBondContact OE1-NE2 3.03Å; E78-R126 WeakPolarHBondContact OE2-CD 3.43Å; E78-R126 IonicContact OE2-CZ 3.11Å; E78-R126 IonicContact OE2-NE 3.23Å; E78-R126 IonicContact OE2-NH1 2.69Å; E78-R126 PolarHBondContact OE2-NH1 3.42Å
79M96.9Very high95.9Very high101 Ų10140.6 Ų40.650%0.49822%0.218SC..Hα-helixtrans-61.2-43.9176.3-68.8168.6175.300111.5T76 A83T76-M79 HydrophobicContact CG2-CE 4.49Å; T76-M79 HydrophobicContact CG2-SD 4.22Å; T76-M79 PolarHBondContact O-N 3.29Å; T76-M79 VanDerWaalsContact O-N 3.16Å; T76-M79 WeakPolarHBondContact OG1-CG 3.36Å; T76-M79 PolarHBondContact OG1-N 3.01Å; M79-A83 WeakPolarHBondContact O-CB 3.43Å; M79-A83 PolarHBondContact O-N 2.94Å; M79-A83 VanDerWaalsContact O-N 3.14Å
80V97.4Very high95.7Very high1 Ų146.1 Ų46.11%0.00624%0.242CC..Hα-helixtrans-63.8-43.6175.81790000110.8F71 A75 T76 E78 T84 T113F71-V80 HydrophobicContact CB-CG2 4.32Å; F71-V80 HydrophobicContact CD1-CG2 3.95Å; F71-V80 HydrophobicContact CD2-CG1 4.27Å; F71-V80 HydrophobicContact CD2-CG2 3.92Å; F71-V80 HydrophobicContact CE1-CG2 4.2Å; F71-V80 HydrophobicContact CE2-CB 4.36Å; F71-V80 HydrophobicContact CE2-CG1 3.98Å; F71-V80 HydrophobicContact CE2-CG2 4.16Å; F71-V80 HydrophobicContact CG-CG2 3.81Å; F71-V80 HydrophobicContact CZ-CB 4.4Å; F71-V80 HydrophobicContact CZ-CG1 4.41Å; F71-V80 HydrophobicContact CZ-CG2 4.3Å; A75-V80 HydrophobicContact CB-CG2 4.22Å; T76-V80 PolarHBondContact O-N 3.47Å; T76-V80 VanDerWaalsContact O-N 3.11Å; E78-V80 VanDerWaalsContact C-N 3.34Å; E78-V80 PolarHBondContact O-N 3.28Å; V80-T84 WeakPolarHBondContact O-CB 3.39Å; V80-T84 WeakPolarHBondContact O-CG2 3.31Å; V80-T84 PolarHBondContact O-N 3.41Å; V80-T84 PolarHBondContact O-OG1 3.45Å; V80-T113 HydrophobicContact CG1-CG2 4.09Å
81Y97.5Very high95.5Very high1 Ų146.3 Ų46.30%0.00424%0.244CC..Hα-helixtrans-58.8-52.9176.6165.7-110.7000112.9Q77 E78 A83 T84 T85 K86 I89 I123 R126 T127 D130Q77-Y81 VanDerWaalsContact O-CB 3.31Å; Q77-Y81 WeakPolarHBondContact O-CB 3.19Å; Q77-Y81 PolarHBondContact O-N 3.12Å; E78-Y81 WeakPolarHBondContact O-CB 3.35Å; E78-Y81 PolarHBondContact O-N 2.88Å; Y81-A83 PolarHBondContact O-N 2.82Å; Y81-T84 PolarHBondContact O-N 3.48Å; Y81-T85 WeakPolarHBondContact CD2-OG1 3.43Å; Y81-T85 VanDerWaalsContact CE2-OG1 3.28Å; Y81-T85 WeakPolarHBondContact CE2-OG1 3.29Å; Y81-T85 PolarHBondContact O-N 3.19Å; Y81-T85 PolarHBondContact O-OG1 3.22Å; Y81-K86 HydrophobicContact CE1-CB 4.08Å; Y81-K86 HydrophobicContact CE1-CD 3.99Å; Y81-K86 HydrophobicContact CE1-CG 4.2Å; Y81-K86 HydrophobicContact CE2-CB 4.21Å; Y81-K86 PolarHBondContact O-N 2.98Å; Y81-I89 VanDerWaalsContact OH-CD1 3.22Å; Y81-I89 WeakPolarHBondContact OH-CD1 3.41Å; Y81-I123 HydrophobicContact CD2-CD1 4.23Å; Y81-R126 HydrophobicContact CD1-CB 3.76Å; Y81-R126 HydrophobicContact CD1-CG 4.37Å; Y81-R126 HydrophobicContact CD2-CB 3.57Å; Y81-R126 HydrophobicContact CE1-CB 4Å; Y81-R126 HydrophobicContact CE2-CB 3.87Å; Y81-R126 HydrophobicContact CG-CB 3.57Å; Y81-R126 HydrophobicContact CG-CG 4.26Å; Y81-T127 WeakPolarHBondContact CE2-OG1 3.16Å; Y81-D130 WeakPolarHBondContact CE1-OD2 3.49Å; Y81-D130 WeakPolarHBondContact OH-CB 3.31Å; Y81-D130 PolarHBondContact OH-OD2 3.4Å
82Q96.9Very high95.4Very high99 Ų9945.8 Ų45.846%0.46324%0.241SC..Hα-helixtrans-59.8-44.3-178.1-71.9-176.97.400112.3E78 T84 K86E78-Q82 HydrophobicContact CG-CG 4.33Å; E78-Q82 WeakPolarHBondContact O-CB 3.34Å; E78-Q82 VanDerWaalsContact O-CG 3.31Å; E78-Q82 WeakPolarHBondContact O-CG 3.42Å; E78-Q82 PolarHBondContact O-N 3.32Å; E78-Q82 VanDerWaalsContact OE1-CG 3.28Å; E78-Q82 WeakPolarHBondContact OE1-CG 3.3Å; E78-Q82 PolarHBondContact OE1-NE2 3.03Å; Q82-T84 PolarHBondContact O-N 2.84Å; Q82-K86 HydrophobicContact CB-CD 4.48Å; Q82-K86 HydrophobicContact CG-CD 4.05Å
83A96Very high95.3Very high46 Ų4645.2 Ų45.238%0.3824%0.238SC..Hα-helixtrans-82.1-6.8-176.100000114.7V69 F71 M79 Y81V69-A83 HydrophobicContact CG2-CB 4.5Å; F71-A83 HydrophobicContact CE1-CB 4.08Å; F71-A83 HydrophobicContact CZ-CB 3.82Å; M79-A83 WeakPolarHBondContact O-CB 3.43Å; M79-A83 PolarHBondContact O-N 2.94Å; M79-A83 VanDerWaalsContact O-N 3.14Å; Y81-A83 PolarHBondContact O-N 2.82Å
84T95.9Very high95.1Very high0 Ų039.5 Ų39.50%022%0.218CC..Hα-helixtrans-123-42.4-177.561.10000115.7A15 V69 F71 V80 Y81 Q82 I320A15-T84 HydrophobicContact CB-CG2 3.81Å; V69-T84 HydrophobicContact CG1-CG2 4.32Å; F71-T84 HydrophobicContact CE2-CG2 3.77Å; F71-T84 HydrophobicContact CZ-CG2 3.95Å; V80-T84 WeakPolarHBondContact O-CB 3.39Å; V80-T84 WeakPolarHBondContact O-CG2 3.31Å; V80-T84 PolarHBondContact O-N 3.41Å; V80-T84 PolarHBondContact O-OG1 3.45Å; Y81-T84 PolarHBondContact O-N 3.48Å; Q82-T84 PolarHBondContact O-N 2.84Å; T84-I320 HydrophobicContact CG2-CD1 4.3Å; T84-I320 HydrophobicContact CG2-CG1 4.5Å
85T95.1Very high95Very high0 Ų035.5 Ų35.50%019%0.193CC..THydrogen-bonded Turntrans-123.9-22.7-168.366.60000115.2Y81 S87 L88 V100 I123 T127Y81-T85 WeakPolarHBondContact CD2-OG1 3.43Å; Y81-T85 VanDerWaalsContact CE2-OG1 3.28Å; Y81-T85 WeakPolarHBondContact CE2-OG1 3.29Å; Y81-T85 PolarHBondContact O-N 3.19Å; Y81-T85 PolarHBondContact O-OG1 3.22Å; T85-S87 VanDerWaalsContact C-N 3.26Å; T85-S87 PolarHBondContact O-N 3.23Å; T85-L88 HydrophobicContact CG2-CD1 4.38Å; T85-L88 VanDerWaalsContact O-CB 3.27Å; T85-L88 WeakPolarHBondContact O-CB 3.47Å; T85-L88 PolarHBondContact O-N 2.89Å; T85-V100 HydrophobicContact CG2-CB 4.24Å; T85-V100 HydrophobicContact CG2-CG1 3.69Å; T85-V100 HydrophobicContact CG2-CG2 3.55Å; T85-I123 HydrophobicContact CG2-CD1 4.07Å; T85-I123 HydrophobicContact CG2-CG2 3.82Å; T85-T127 PolarHBondContact OG1-OG1 2.81Å
86K95.8Very high94.8Very high85 Ų8537.6 Ų37.637%0.3720%0.199SC..Hα-helixtrans-54-41.4178.6-172.7168-173.3170.90113Y81 Q82 L88 I89Y81-K86 HydrophobicContact CE1-CB 4.08Å; Y81-K86 HydrophobicContact CE1-CD 3.99Å; Y81-K86 HydrophobicContact CE1-CG 4.2Å; Y81-K86 HydrophobicContact CE2-CB 4.21Å; Y81-K86 PolarHBondContact O-N 2.98Å; Q82-K86 HydrophobicContact CB-CD 4.48Å; Q82-K86 HydrophobicContact CG-CD 4.05Å; K86-L88 PolarHBondContact O-N 2.94Å; K86-I89 PolarHBondContact O-N 3.21Å
87S94.1Very high94.7Very high67 Ų6735.7 Ų35.747%0.46919%0.186SC..Hα-helixtrans-71.5-6.4177.658.80000115.2T85T85-S87 VanDerWaalsContact C-N 3.26Å; T85-S87 PolarHBondContact O-N 3.23Å
88L94.9Very high94.7Very high10 Ų1035.4 Ų35.45%0.05219%0.185CC..Hα-helixtrans-85-28.3174.6-54.4175.6000111.8T85 K86 E90 G91 V92 A98 V100 R316 V318T85-L88 HydrophobicContact CG2-CD1 4.38Å; T85-L88 VanDerWaalsContact O-CB 3.27Å; T85-L88 WeakPolarHBondContact O-CB 3.47Å; T85-L88 PolarHBondContact O-N 2.89Å; K86-L88 PolarHBondContact O-N 2.94Å; L88-E90 PolarHBondContact O-N 3.05Å; L88-G91 WeakPolarHBondContact O-CA 3.48Å; L88-G91 PolarHBondContact O-N 3.44Å; L88-V92 WeakPolarHBondContact O-CG2 3.16Å; L88-V92 PolarHBondContact O-N 2.75Å; L88-A98 HydrophobicContact CB-CB 4.04Å; L88-A98 HydrophobicContact CD1-CB 4.31Å; L88-A98 HydrophobicContact CD2-CB 4.47Å; L88-V100 HydrophobicContact CD1-CG2 3.44Å; L88-V100 VanDerWaalsContact CD1-CG2 3.44Å; L88-R316 HydrophobicContact CD2-CB 4.05Å; L88-V318 HydrophobicContact CD1-CG2 3.85Å; L88-V318 HydrophobicContact CD2-CG2 4.09Å; L88-V318 HydrophobicContact CG-CG2 4.42Å
89I95.4Very high94.7Very high8 Ų832.8 Ų32.84%0.04117%0.173CC..Hα-helixtrans-62-48.1-170.3-61.3176.4000111.4Y81 K86 G91 V92 I93 T127 D130 L131 A134Y81-I89 VanDerWaalsContact OH-CD1 3.22Å; Y81-I89 WeakPolarHBondContact OH-CD1 3.41Å; K86-I89 PolarHBondContact O-N 3.21Å; I89-G91 PolarHBondContact O-N 3.33Å; I89-V92 PolarHBondContact O-N 2.86Å; I89-I93 PolarHBondContact O-N 3.48Å; I89-T127 HydrophobicContact CD1-CG2 3.95Å; I89-T127 HydrophobicContact CG1-CG2 3.91Å; I89-D130 HydrophobicContact CD1-CB 3.45Å; I89-D130 VanDerWaalsContact CD1-CB 3.45Å; I89-L131 HydrophobicContact CG2-CB 4.03Å; I89-A134 HydrophobicContact CG2-CB 4.25Å
90E92.3Very high94.7Very high140 Ų14028 Ų2865%0.65415%0.149SC*.Hα-helixtrans-55.4-38.7174.3-171-168.1177.200111.9L88 I93 S94L88-E90 PolarHBondContact O-N 3.05Å; E90-I93 WeakPolarHBondContact O-CG1 3.17Å; E90-S94 WeakPolarHBondContact O-CB 3.37Å; E90-S94 PolarHBondContact O-N 3.47Å; E90-S94 VanDerWaalsContact O-N 3.17Å; E90-S94 PolarHBondContact O-OG 3.02Å
91G92.6Very high94.6Very high4 Ų428 Ų284%0.04115%0.149CC..Hα-helixtrans-65.5-44.8173.600000112.5L88 I89 S94 G95 Y96L88-G91 WeakPolarHBondContact O-CA 3.48Å; L88-G91 PolarHBondContact O-N 3.44Å; I89-G91 PolarHBondContact O-N 3.33Å; G91-S94 PolarHBondContact O-N 2.99Å; G91-G95 PolarHBondContact O-N 2.9Å; G91-Y96 WeakPolarHBondContact O-CB 3.41Å; G91-Y96 WeakPolarHBondContact O-CD2 3.28Å; G91-Y96 PolarHBondContact O-N 2.82Å
92V94.8Very high94.5Very high0 Ų027.9 Ų27.90%015%0.149CC..Hα-helixtrans-63.9-50-179.6173.70000111.1L88 I89 S94 G95 A98 L131 V228 G244 L246L88-V92 WeakPolarHBondContact O-CG2 3.16Å; L88-V92 PolarHBondContact O-N 2.75Å; I89-V92 PolarHBondContact O-N 2.86Å; V92-S94 PolarHBondContact O-N 2.93Å; V92-G95 PolarHBondContact O-N 2.94Å; V92-A98 HydrophobicContact CG2-CB 3.69Å; V92-L131 HydrophobicContact CG1-CD1 4.35Å; V92-V228 HydrophobicContact CG1-CB 4.26Å; V92-V228 HydrophobicContact CG1-CG2 3.91Å; V92-G244 WeakPolarHBondContact O-CA 3.44Å; V92-L246 HydrophobicContact CG1-CB 4.08Å; V92-L246 HydrophobicContact CG2-CB 3.92Å; V92-L246 HydrophobicContact CG2-CD1 4.41Å
93I93Very high94.4Very high15 Ų1524.3 Ų24.38%0.07713%0.131CC..Hα-helixtrans-63.4-28.7177.967.7178.4000112.3I89 E90 G95 A134 I135 Y144 V228 Q230I89-I93 PolarHBondContact O-N 3.48Å; E90-I93 WeakPolarHBondContact O-CG1 3.17Å; I93-G95 VanDerWaalsContact C-N 3.3Å; I93-G95 PolarHBondContact O-N 3.27Å; I93-A134 HydrophobicContact CD1-CB 4.07Å; I93-I135 HydrophobicContact CG2-CG1 4.02Å; I93-Y144 HydrophobicContact CB-CE1 4.15Å; I93-V228 HydrophobicContact CG2-CG1 4.48Å; I93-Q230 PolarHBondContact O-OE1 3.17Å
94S90.5Very high94.3Very high34 Ų3422.1 Ų22.124%0.23811%0.113CC..THydrogen-bonded Turntrans-79.3-4.5176.1-61.30000114.4E90 G91 V92 Q352E90-S94 WeakPolarHBondContact O-CB 3.37Å; E90-S94 PolarHBondContact O-N 3.47Å; E90-S94 VanDerWaalsContact O-N 3.17Å; E90-S94 PolarHBondContact O-OG 3.02Å; G91-S94 PolarHBondContact O-N 2.99Å; V92-S94 PolarHBondContact O-N 2.93Å; S94-Q352 WeakPolarHBondContact O-CG 3.44Å; S94-Q352 PolarHBondContact O-NE2 3.5Å
95G91.3Very high94Very high0 Ų022.6 Ų22.60%012%0.116CC..THydrogen-bonded Turntrans97.417.1178.600000116.2G91 V92 I93 N353G91-G95 PolarHBondContact O-N 2.9Å; V92-G95 PolarHBondContact O-N 2.94Å; I93-G95 VanDerWaalsContact C-N 3.3Å; I93-G95 PolarHBondContact O-N 3.27Å; G95-N353 WeakPolarHBondContact O-CB 3.39Å; G95-N353 PolarHBondContact O-N 3.45Å; G95-N353 PolarHBondContact O-ND2 2.69Å
96Y92.7Very high93.6Very high55 Ų5524.6 Ų24.622%0.21613%0.128CC..  trans-91.7152.8169.5-63.6-86.2000111.1G91 G244 V350 K351 Q352G91-Y96 WeakPolarHBondContact O-CB 3.41Å; G91-Y96 WeakPolarHBondContact O-CD2 3.28Å; G91-Y96 PolarHBondContact O-N 2.82Å; Y96-G244 VanDerWaalsContact O-CA 3.29Å; Y96-G244 WeakPolarHBondContact O-CA 3.33Å; Y96-V350 HydrophobicContact CD1-CG1 3.43Å; Y96-V350 VanDerWaalsContact CD1-CG1 3.43Å; Y96-V350 HydrophobicContact CE1-CG1 3.89Å; Y96-V350 HydrophobicContact CG-CG1 4.34Å; Y96-K351 WeakPolarHBondContact CD1-O 3.2Å; Y96-Q352 HydrophobicContact CD1-CB 4.36Å; Y96-Q352 HydrophobicContact CE1-CB 3.86Å; Y96-Q352 VanDerWaalsContact CE1-N 3.35Å; Y96-Q352 HydrophobicContact CE2-CB 4.37Å; Y96-Q352 HydrophobicContact CE2-CG 4.28Å
97N94Very high93.2Very high22 Ų2223.1 Ų23.112%0.11814%0.138CC..EExtended strand (participates in β ladder)trans-83.3145.6168.3-60.7-35.2000110.7R245 N314 S315 R316 N353N97-R245 CarbonylContact C-O 3.54Å; N97-R245 VanDerWaalsContact CA-O 3.28Å; N97-R245 WeakPolarHBondContact CA-O 3.5Å; N97-R245 PolarHBondContact OD1-N 3.44Å; N97-N314 VanDerWaalsContact CB-O 3.27Å; N97-N314 WeakPolarHBondContact CB-O 3.4Å; N97-N314 PolarHBondContact ND2-O 2.9Å; N97-S315 WeakPolarHBondContact O-CA 3.47Å; N97-R316 PolarHBondContact O-N 3.48Å; N97-N353 PolarHBondContact ND2-ND2 2.65Å; N97-N353 PolarHBondContact OD1-ND2 2.81Å
98A95.4Very high93.1Very high1 Ų120.2 Ų20.21%0.00812%0.117CC..EExtended strand (participates in β ladder)trans-135.3146.1172.700000111.2L88 V92 R245 L246 F247 R316L88-A98 HydrophobicContact CB-CB 4.04Å; L88-A98 HydrophobicContact CD1-CB 4.31Å; L88-A98 HydrophobicContact CD2-CB 4.47Å; V92-A98 HydrophobicContact CG2-CB 3.69Å; A98-R245 PolarHBondContact N-O 3.25Å; A98-L246 HydrophobicContact CB-CD1 3.96Å; A98-L246 WeakPolarHBondContact O-CA 3.41Å; A98-F247 PolarHBondContact O-N 3.19Å; A98-R316 CarbonylContact C-O 3.55Å; A98-R316 VanDerWaalsContact CA-O 3.23Å; A98-R316 WeakPolarHBondContact CA-O 3.39Å
99T95.8Very high92.9Very high0 Ų020.6 Ų20.60%012%0.124CC..EExtended strand (participates in β ladder)trans-134.2129.9175.6-51.70000110.5F101 F247 I249 L307 S310 S315 R316 T317 V318T99-F101 HydrophobicContact CG2-CD1 4.47Å; T99-F247 CarbonylContact C-O 3.58Å; T99-F247 WeakPolarHBondContact CA-O 3.37Å; T99-F247 HydrophobicContact CG2-CB 4.06Å; T99-I249 HydrophobicContact CG2-CD1 4.18Å; T99-L307 HydrophobicContact CG2-CD2 3.98Å; T99-S310 VanDerWaalsContact OG1-CB 3.23Å; T99-S310 WeakPolarHBondContact OG1-CB 3.31Å; T99-S310 PolarHBondContact OG1-OG 3.43Å; T99-S315 PolarHBondContact N-OG 3.42Å; T99-S315 PolarHBondContact OG1-OG 3.39Å; T99-R316 PolarHBondContact N-O 3.4Å; T99-T317 CarbonylContact O-C 3.6Å; T99-T317 WeakPolarHBondContact O-CA 3.48Å; T99-V318 PolarHBondContact O-N 2.97Å
100V96.8Very high92.8Very high0 Ų020.7 Ų20.70%012%0.124CC..EExtended strand (participates in β ladder)trans-121127.6172.8-172.80000107.9T85 L88 M114 F247 M248 I249 V318 I320T85-V100 HydrophobicContact CG2-CB 4.24Å; T85-V100 HydrophobicContact CG2-CG1 3.69Å; T85-V100 HydrophobicContact CG2-CG2 3.55Å; L88-V100 HydrophobicContact CD1-CG2 3.44Å; L88-V100 VanDerWaalsContact CD1-CG2 3.44Å; V100-M114 HydrophobicContact CG1-CE 4.42Å; V100-F247 PolarHBondContact N-O 3.04Å; V100-M248 HydrophobicContact CB-CG 4.45Å; V100-M248 CarbonylContact O-C 3.58Å; V100-M248 WeakPolarHBondContact O-CA 3.15Å; V100-I249 PolarHBondContact O-N 3.44Å; V100-V318 WeakPolarHBondContact CA-O 3.31Å; V100-I320 HydrophobicContact CG1-CD1 4.19Å
101F95.5Very high92.8Very high0 Ų015.7 Ų15.70%010%0.103CC..EExtended strand (participates in β ladder)trans-135.2131.6174.666.7-87.8000113.4T99 I249 L251 I284 L311 T317 V318 M319 I320T99-F101 HydrophobicContact CG2-CD1 4.47Å; F101-I249 WeakPolarHBondContact CA-O 3.46Å; F101-I249 HydrophobicContact CB-CB 3.9Å; F101-I249 HydrophobicContact CB-CG2 4.37Å; F101-L251 HydrophobicContact CD2-CD1 3.82Å; F101-I284 HydrophobicContact CZ-CD1 4.44Å; F101-L311 HydrophobicContact CE1-CD2 4.43Å; F101-L311 HydrophobicContact CZ-CD2 4.5Å; F101-T317 HydrophobicContact CD1-CG2 4.23Å; F101-T317 HydrophobicContact CE1-CG2 3.76Å; F101-V318 PolarHBondContact N-O 3.17Å; F101-M319 HydrophobicContact CD2-CG 4.21Å; F101-M319 HydrophobicContact CE1-CB 4Å; F101-M319 HydrophobicContact CE2-CB 3.91Å; F101-M319 HydrophobicContact CE2-CE 4.24Å; F101-M319 HydrophobicContact CE2-CG 3.51Å; F101-M319 HydrophobicContact CE2-SD 3.91Å; F101-M319 HydrophobicContact CZ-CB 3.61Å; F101-M319 HydrophobicContact CZ-CG 3.7Å; F101-M319 HydrophobicContact CZ-SD 3.98Å; F101-I320 PolarHBondContact O-N 3.45Å
102A96Very high92.8Very high0 Ų019.1 Ų19.10%012%0.115CC..EExtended strand (participates in β ladder)trans-84.7125170.100000110.2K110 M114 I249 L251 I320A102-K110 HydrophobicContact CB-CB 3.97Å; A102-K110 HydrophobicContact CB-CG 4.3Å; A102-M114 HydrophobicContact CB-CG 3.53Å; A102-M114 HydrophobicContact CB-SD 3.82Å; A102-I249 PolarHBondContact N-O 2.9Å; A102-L251 VanDerWaalsContact O-CB 3.29Å; A102-L251 WeakPolarHBondContact O-CB 3.34Å; A102-L251 WeakPolarHBondContact O-CG 2.99Å; A102-L251 PolarHBondContact O-N 2.92Å; A102-I320 WeakPolarHBondContact CA-O 3.41Å
103Y95Very high92.8Very high23 Ų2319.1 Ų19.19%0.0912%0.115CC..EExtended strand (participates in β ladder)trans-123.7152.7177.7178.6-85.8000110.7L251 S254 L277 M319 I320 A321 H322 T336 Y339Y103-L251 HydrophobicContact CD2-CD1 4Å; Y103-S254 WeakPolarHBondContact OH-CB 3.36Å; Y103-L277 HydrophobicContact CE2-CD2 4.41Å; Y103-M319 HydrophobicContact CD1-CE 3.65Å; Y103-M319 HydrophobicContact CD2-CE 4.43Å; Y103-M319 HydrophobicContact CE1-CE 4.47Å; Y103-M319 HydrophobicContact CG-CE 3.65Å; Y103-I320 PolarHBondContact N-O 3.25Å; Y103-A321 CarbonylContact O-C 3.59Å; Y103-A321 WeakPolarHBondContact O-CA 3.5Å; Y103-H322 WeakPolarHBondContact O-CB 3.39Å; Y103-H322 PolarHBondContact O-N 2.85Å; Y103-H322 PolarHBondContact O-ND1 3.36Å; Y103-H322 VanDerWaalsContact O-ND1 3.1Å; Y103-T336 HydrophobicContact CD1-CG2 4.01Å; Y103-T336 HydrophobicContact CE1-CG2 3.99Å; Y103-Y339 AromaticContact CD1-CD1 3.99Å; Y103-Y339 HydrophobicContact CD1-CD1 3.99Å; Y103-Y339 HydrophobicContact CD1-CE1 4.45Å; Y103-Y339 HydrophobicContact CD2-CD1 4.24Å; Y103-Y339 AromaticContact CD2-CE1 3.92Å; Y103-Y339 HydrophobicContact CD2-CE1 3.92Å; Y103-Y339 AromaticContact CE1-CD1 3.52Å; Y103-Y339 HydrophobicContact CE1-CD1 3.52Å; Y103-Y339 HydrophobicContact CE1-CE1 4.16Å; Y103-Y339 HydrophobicContact CE1-CG 4.44Å; Y103-Y339 AromaticContact CE2-CD1 3.75Å; Y103-Y339 HydrophobicContact CE2-CD1 3.75Å; Y103-Y339 AromaticContact CE2-CE1 3.53Å; Y103-Y339 HydrophobicContact CE2-CE1 3.53Å; Y103-Y339 HydrophobicContact CG-CD1 4.35Å; Y103-Y339 HydrophobicContact CG-CE1 4.37Å; Y103-Y339 AromaticContact CZ-CD1 3.37Å; Y103-Y339 AromaticContact CZ-CE1 3.68Å
104G93.3Very high92.9Very high0 Ų018.4 Ų18.40%011%0.112CC..SBendtrans137.5-179.5173.800000112.8K110 S254G104-K110 WeakPolarHBondContact O-CD 3.41Å; G104-K110 WeakPolarHBondContact O-CE 3.26Å; G104-K110 PolarHBondContact O-NZ 2.98Å; G104-S254 PolarHBondContact O-N 2.89Å; G104-S254 PolarHBondContact O-OG 3.4Å
105P90.1Very high92.9Very high11 Ų1119.1 Ų19.17%0.07111%0.113CC..  trans-67.1162.9-179.2-1932.9000112.5C108 K110 E255 H322 E332P105-C108 WeakPolarHBondContact O-CB 3.25Å; P105-C108 PolarHBondContact O-N 3.11Å; P105-K110 PolarHBondContact O-NZ 3.15Å; P105-E255 VanDerWaalsContact CA-OE2 3.28Å; P105-E255 WeakPolarHBondContact CA-OE2 3.44Å; P105-H322 WeakPolarHBondContact CD-O 3.34Å; P105-E332 HydrophobicContact CG-CB 3.78Å
106T87.4Confident92.8Very high41 Ų4119.9 Ų19.925%0.25212%0.12SC..THydrogen-bonded Turntrans-58.3151.2166.6-66.60000110.7C108 N214 S218 G253 E255T106-C108 PolarHBondContact O-N 3.31Å; T106-N214 WeakPolarHBondContact CG2-OD1 3.36Å; T106-S218 VanDerWaalsContact OG1-CB 3.28Å; T106-S218 WeakPolarHBondContact OG1-CB 3.22Å; T106-G253 WeakPolarHBondContact OG1-CA 3.45Å; T106-E255 WeakPolarHBondContact CB-OE1 3.14Å; T106-E255 PolarHBondContact N-OE2 2.77Å; T106-E255 PolarHBondContact OG1-OE1 3.46Å; T106-E255 PolarHBondContact OG1-OE2 3.47Å
107G85.9Confident92.6Very high55 Ų5520.6 Ų20.657%0.56713%0.13SC*.THydrogen-bonded Turntrans69.5-11.4-175.600000115.8R19 G109R19-G107 PolarHBondContact NE-O 3.45Å; G107-G109 VanDerWaalsContact C-N 3.26Å; G107-G109 PolarHBondContact O-N 3.08Å
108C91.9Very high92.1Very high6 Ų627.1 Ų27.14%0.04117%0.165CC..SBendtrans-79.90.4-178.9-65.20000114.6P105 T106 H322 S324P105-C108 WeakPolarHBondContact O-CB 3.25Å; P105-C108 PolarHBondContact O-N 3.11Å; T106-C108 PolarHBondContact O-N 3.31Å; C108-H322 HydrophobicContact CB-CB 3.95Å; C108-S324 PolarHBondContact SG-N 2.76Å; C108-S324 VanDerWaalsContact SG-N 3.41Å
109G91.9Very high91.8Very high18 Ų1835.6 Ų35.619%0.18620%0.204CC..SBendtrans100.714.2171.400000117.1G107 T111 Y112 T113G107-G109 VanDerWaalsContact C-N 3.26Å; G107-G109 PolarHBondContact O-N 3.08Å; G109-T111 PolarHBondContact O-N 2.7Å; G109-Y112 WeakPolarHBondContact O-CB 3.46Å; G109-Y112 PolarHBondContact O-N 2.85Å; G109-Y112 VanDerWaalsContact O-N 3.16Å; G109-T113 PolarHBondContact O-N 2.74Å; G109-T113 PolarHBondContact O-OG1 3.08Å
110K93.4Very high91.6Very high10 Ų1039.9 Ų39.94%0.04322%0.224CC..Hα-helixtrans-49.4-60.7177.4-64.1-170.6-65.3-740113A102 G104 P105 Y112 T113 M114 D250 L251 A252 H322A102-K110 HydrophobicContact CB-CB 3.97Å; A102-K110 HydrophobicContact CB-CG 4.3Å; G104-K110 WeakPolarHBondContact O-CD 3.41Å; G104-K110 WeakPolarHBondContact O-CE 3.26Å; G104-K110 PolarHBondContact O-NZ 2.98Å; P105-K110 PolarHBondContact O-NZ 3.15Å; K110-Y112 VanDerWaalsContact C-N 3.27Å; K110-Y112 PolarHBondContact O-N 3.32Å; K110-T113 PolarHBondContact O-N 3.34Å; K110-T113 VanDerWaalsContact O-N 3.1Å; K110-M114 PolarHBondContact O-N 3.5Å; K110-D250 WeakPolarHBondContact CB-OD1 3.34Å; K110-L251 WeakPolarHBondContact CE-O 3.35Å; K110-A252 WeakPolarHBondContact CE-O 3.39Å; K110-H322 HydrophobicContact CG-CB 4.32Å
111T90.8Very high91.3Very high35 Ų3541.4 Ų41.422%0.21523%0.234CC..Hα-helixtrans-66-29.1179.8-41.60000112G109 M114 L115 G116 D250G109-T111 PolarHBondContact O-N 2.7Å; T111-M114 PolarHBondContact O-N 3.07Å; T111-L115 HydrophobicContact CG2-CB 4.27Å; T111-L115 WeakPolarHBondContact O-CA 3.29Å; T111-L115 WeakPolarHBondContact O-CB 3.46Å; T111-L115 PolarHBondContact O-N 2.87Å; T111-G116 PolarHBondContact O-N 3.47Å; T111-D250 WeakPolarHBondContact CA-OD1 3.09Å; T111-D250 PolarHBondContact N-OD1 3.05Å; T111-D250 PolarHBondContact OG1-OD1 2.88Å; T111-D250 PolarHBondContact OG1-OD2 2.82Å
112Y92.7Very high91.3Very high75 Ų7541.5 Ų41.529%0.29424%0.235SC..Hα-helixtrans-66.7-37.8172.4177.6-110.9000112.2Q77 G109 K110 G116 T117 E120Q77-Y112 VanDerWaalsContact CD-CZ 3.47Å; Q77-Y112 PolarHBondContact NE2-O 3.35Å; G109-Y112 WeakPolarHBondContact O-CB 3.46Å; G109-Y112 PolarHBondContact O-N 2.85Å; G109-Y112 VanDerWaalsContact O-N 3.16Å; K110-Y112 VanDerWaalsContact C-N 3.27Å; K110-Y112 PolarHBondContact O-N 3.32Å; Y112-G116 WeakPolarHBondContact O-CA 3.41Å; Y112-G116 PolarHBondContact O-N 3.34Å; Y112-G116 VanDerWaalsContact O-N 3.11Å; Y112-T117 HydrophobicContact CD2-CG2 4.31Å; Y112-T117 HydrophobicContact CE2-CG2 4.23Å; Y112-E120 HydrophobicContact CE2-CB 4.33Å; Y112-E120 PolarHBondContact OH-OE1 2.94Å; Y112-E120 PolarHBondContact OH-OE2 3.13Å; Y112-E120 VanDerWaalsContact OH-OE2 3.08Å
113T95.7Very high91.3Very high1 Ų141.6 Ų41.61%0.00624%0.236CC..Hα-helixtrans-69.1-46.9171.2-61.30000111.3R17 V80 G109 K110 G122 I123 I320 H322R17-T113 WeakPolarHBondContact CD-OG1 3.42Å; R17-T113 PolarHBondContact NH1-OG1 3.03Å; V80-T113 HydrophobicContact CG1-CG2 4.09Å; G109-T113 PolarHBondContact O-N 2.74Å; G109-T113 PolarHBondContact O-OG1 3.08Å; K110-T113 PolarHBondContact O-N 3.34Å; K110-T113 VanDerWaalsContact O-N 3.1Å; T113-G122 CarbonylContact O-C 3.53Å; T113-G122 VanDerWaalsContact O-CA 3.31Å; T113-G122 WeakPolarHBondContact O-CA 3.28Å; T113-I123 HydrophobicContact CG2-CG1 3.92Å; T113-I123 WeakPolarHBondContact O-CG1 3.4Å; T113-I123 PolarHBondContact O-N 3.04Å; T113-I320 HydrophobicContact CG2-CD1 3.91Å; T113-I320 HydrophobicContact CG2-CG2 4.36Å; T113-H322 VanDerWaalsContact CB-NE2 3.31Å; T113-H322 WeakPolarHBondContact CB-NE2 3.09Å; T113-H322 PolarHBondContact OG1-NE2 3.06Å
114M94.3Very high91.2Very high0 Ų040.6 Ų40.60%023%0.232CC..Hα-helixtrans-73-51.8-173-62.8-52.7-60.800113.3V100 A102 K110 T111 G122 I123 Y124 M248 D250V100-M114 HydrophobicContact CG1-CE 4.42Å; A102-M114 HydrophobicContact CB-CG 3.53Å; A102-M114 HydrophobicContact CB-SD 3.82Å; K110-M114 PolarHBondContact O-N 3.5Å; T111-M114 PolarHBondContact O-N 3.07Å; M114-G122 CarbonylContact O-C 3.58Å; M114-I123 HydrophobicContact CE-CB 4.38Å; M114-I123 HydrophobicContact CE-CG2 4.2Å; M114-I123 PolarHBondContact O-N 3.49Å; M114-I123 VanDerWaalsContact O-N 3.15Å; M114-I123 HydrophobicContact SD-CB 4.43Å; M114-I123 HydrophobicContact SD-CG1 4.47Å; M114-Y124 HydrophobicContact CB-CD2 4.46Å; M114-Y124 HydrophobicContact CB-CE1 4.26Å; M114-Y124 HydrophobicContact CB-CE2 4.01Å; M114-Y124 HydrophobicContact CE-CD1 4.05Å; M114-Y124 HydrophobicContact CE-CE1 3.62Å; M114-Y124 WeakPolarHBondContact O-CB 3.45Å; M114-Y124 VanDerWaalsContact O-CD2 3.28Å; M114-Y124 WeakPolarHBondContact O-CD2 3.43Å; M114-Y124 PolarHBondContact O-N 3.2Å; M114-M248 HydrophobicContact CE-CB 3.9Å; M114-D250 HydrophobicContact CB-CB 4.24Å; M114-D250 HydrophobicContact CG-CB 4.11Å
115L90.7Very high91.1Very high49 Ų4941.8 Ų41.826%0.25724%0.239SC..THydrogen-bonded Turntrans-95.4-45.5-179-179.761.3000112.1T111 G122 Y124T111-L115 HydrophobicContact CG2-CB 4.27Å; T111-L115 WeakPolarHBondContact O-CA 3.29Å; T111-L115 WeakPolarHBondContact O-CB 3.46Å; T111-L115 PolarHBondContact O-N 2.87Å; L115-G122 WeakPolarHBondContact O-CA 3.3Å; L115-G122 PolarHBondContact O-N 3.4Å; L115-Y124 HydrophobicContact CB-CD2 4.07Å; L115-Y124 HydrophobicContact CB-CE2 4.27Å; L115-Y124 HydrophobicContact CD1-CD2 4.09Å
116G90.2Very high91.3Very high16 Ų1643.9 Ų43.917%0.16525%0.245CC..BIsolated β-bridgetrans80.2-153.7-172.900000113.5T111 Y112 E120T111-G116 PolarHBondContact O-N 3.47Å; Y112-G116 WeakPolarHBondContact O-CA 3.41Å; Y112-G116 PolarHBondContact O-N 3.34Å; Y112-G116 VanDerWaalsContact O-N 3.11Å; G116-E120 WeakPolarHBondContact CA-O 2.88Å
117T87.2Confident91.7Very high69 Ų6942 Ų4242%0.42323%0.233SC..  trans-123.4169.8169.565.90000109.2Y112 H119 E120 P121Y112-T117 HydrophobicContact CD2-CG2 4.31Å; Y112-T117 HydrophobicContact CE2-CG2 4.23Å; T117-H119 PolarHBondContact O-N 3.07Å; T117-E120 PolarHBondContact N-O 2.97Å; T117-E120 CarbonylContact O-C 3.54Å; T117-E120 PolarHBondContact O-N 3.11Å; T117-E120 PolarHBondContact OG1-N 3.41Å; T117-P121 WeakPolarHBondContact O-CA 3.39Å; T117-P121 VanDerWaalsContact O-N 3.12Å
118D84.6Confident92Very high159 Ų15939.3 Ų39.385%0.8521%0.206SC*.SBendtrans-62.9-27.6178.7-53.3-61.2000112.7
119H88.8Confident92Very high180 Ų18042.4 Ų42.483%0.83322%0.222SC*.SBendtrans-86.1-31.9173.6-59.3-43000113.3T117 P121T117-H119 PolarHBondContact O-N 3.07Å; H119-P121 VanDerWaalsContact C-CD 3.48Å; H119-P121 WeakPolarHBondContact O-CD 3.37Å
120E90.8Very high92Very high89 Ų8942.6 Ų42.642%0.41622%0.219SC..SBendtrans-124.573.5178.8-70.6-158.685.700111.7Q77 Y112 G116 T117Q77-E120 HydrophobicContact CG-CB 3.88Å; Q77-E120 PolarHBondContact NE2-O 3.46Å; Y112-E120 HydrophobicContact CE2-CB 4.33Å; Y112-E120 PolarHBondContact OH-OE1 2.94Å; Y112-E120 PolarHBondContact OH-OE2 3.13Å; Y112-E120 VanDerWaalsContact OH-OE2 3.08Å; G116-E120 WeakPolarHBondContact CA-O 2.88Å; T117-E120 PolarHBondContact N-O 2.97Å; T117-E120 CarbonylContact O-C 3.54Å; T117-E120 PolarHBondContact O-N 3.11Å; T117-E120 PolarHBondContact OG1-N 3.41Å
121P92Very high92.1Very high33 Ų3342.1 Ų42.121%0.21422%0.217CC..BIsolated β-bridgetrans-59.1139.9-176.8-26.934.5000112.9Q77 T117 H119 V125 R126Q77-P121 WeakPolarHBondContact CB-O 3.29Å; T117-P121 WeakPolarHBondContact O-CA 3.39Å; T117-P121 VanDerWaalsContact O-N 3.12Å; H119-P121 VanDerWaalsContact C-CD 3.48Å; H119-P121 WeakPolarHBondContact O-CD 3.37Å; P121-V125 HydrophobicContact CB-CB 3.81Å; P121-V125 HydrophobicContact CB-CG1 3.87Å; P121-V125 HydrophobicContact CB-CG2 4.1Å; P121-R126 VanDerWaalsContact O-CZ 3.3Å; P121-R126 PolarHBondContact O-NE 3.35Å; P121-R126 PolarHBondContact O-NH2 2.82Å
122G93.9Very high92.1Very high1 Ų140.9 Ų40.91%0.0121%0.209CC..  trans-88.8-165.6-178.700000114.4T113 M114 L115 Y124 V125 R126T113-G122 CarbonylContact O-C 3.53Å; T113-G122 VanDerWaalsContact O-CA 3.31Å; T113-G122 WeakPolarHBondContact O-CA 3.28Å; M114-G122 CarbonylContact O-C 3.58Å; L115-G122 WeakPolarHBondContact O-CA 3.3Å; L115-G122 PolarHBondContact O-N 3.4Å; G122-Y124 PolarHBondContact O-N 3.39Å; G122-V125 PolarHBondContact O-N 2.96Å; G122-R126 PolarHBondContact O-N 2.91Å
123I95.8Very high92.1Very high3 Ų342.4 Ų42.42%0.01521%0.214CC..Hα-helixtrans-52.2-49.5-178.9-64.9-58.4000112Y81 T85 T113 M114 V125 R126 T127 M248 I320Y81-I123 HydrophobicContact CD2-CD1 4.23Å; T85-I123 HydrophobicContact CG2-CD1 4.07Å; T85-I123 HydrophobicContact CG2-CG2 3.82Å; T113-I123 HydrophobicContact CG2-CG1 3.92Å; T113-I123 WeakPolarHBondContact O-CG1 3.4Å; T113-I123 PolarHBondContact O-N 3.04Å; M114-I123 HydrophobicContact CE-CB 4.38Å; M114-I123 HydrophobicContact CE-CG2 4.2Å; M114-I123 PolarHBondContact O-N 3.49Å; M114-I123 VanDerWaalsContact O-N 3.15Å; M114-I123 HydrophobicContact SD-CB 4.43Å; M114-I123 HydrophobicContact SD-CG1 4.47Å; I123-V125 VanDerWaalsContact C-N 3.33Å; I123-V125 PolarHBondContact O-N 3.28Å; I123-R126 PolarHBondContact O-N 3.19Å; I123-T127 WeakPolarHBondContact CG2-OG1 3.2Å; I123-T127 VanDerWaalsContact O-CB 3.31Å; I123-T127 WeakPolarHBondContact O-CB 3.44Å; I123-T127 PolarHBondContact O-N 3.12Å; I123-T127 PolarHBondContact O-OG1 3.34Å; I123-M248 HydrophobicContact CG2-SD 4.16Å; I123-I320 HydrophobicContact CG1-CD1 4.49Å
124Y93.3Very high91.9Very high2 Ų243.1 Ų43.11%0.00822%0.22CC..Hα-helixtrans-51.7-50.9-176.7-65.3-34000111.9M114 L115 G122 L128 L199 L224 M248M114-Y124 HydrophobicContact CB-CD2 4.46Å; M114-Y124 HydrophobicContact CB-CE1 4.26Å; M114-Y124 HydrophobicContact CB-CE2 4.01Å; M114-Y124 HydrophobicContact CE-CD1 4.05Å; M114-Y124 HydrophobicContact CE-CE1 3.62Å; M114-Y124 WeakPolarHBondContact O-CB 3.45Å; M114-Y124 VanDerWaalsContact O-CD2 3.28Å; M114-Y124 WeakPolarHBondContact O-CD2 3.43Å; M114-Y124 PolarHBondContact O-N 3.2Å; L115-Y124 HydrophobicContact CB-CD2 4.07Å; L115-Y124 HydrophobicContact CB-CE2 4.27Å; L115-Y124 HydrophobicContact CD1-CD2 4.09Å; G122-Y124 PolarHBondContact O-N 3.39Å; Y124-L128 VanDerWaalsContact O-CB 3.29Å; Y124-L128 WeakPolarHBondContact O-CB 3.26Å; Y124-L128 WeakPolarHBondContact O-CD1 3.31Å; Y124-L128 WeakPolarHBondContact O-CG 3.37Å; Y124-L128 PolarHBondContact O-N 3.07Å; Y124-L128 VanDerWaalsContact O-N 3.14Å; Y124-L199 HydrophobicContact CD2-CD1 4.13Å; Y124-L199 HydrophobicContact CD2-CD2 4.49Å; Y124-L224 HydrophobicContact CD1-CB 4.5Å; Y124-L224 HydrophobicContact CD1-CD2 3.72Å; Y124-L224 HydrophobicContact CE1-CB 4.05Å; Y124-L224 HydrophobicContact CE1-CD2 4.1Å; Y124-L224 HydrophobicContact CG-CD2 4.11Å; Y124-M248 HydrophobicContact CD1-CB 3.74Å; Y124-M248 HydrophobicContact CD1-CE 4.45Å; Y124-M248 HydrophobicContact CD1-SD 4.16Å; Y124-M248 HydrophobicContact CE1-CB 3.56Å
125V91.8Very high91.7Very high24 Ų2444 Ų4415%0.14522%0.224CC..Hα-helixtrans-67.9-46.6-175.8179.80000111.1P121 G122 I123 L128 N129 M196 L199P121-V125 HydrophobicContact CB-CB 3.81Å; P121-V125 HydrophobicContact CB-CG1 3.87Å; P121-V125 HydrophobicContact CB-CG2 4.1Å; G122-V125 PolarHBondContact O-N 2.96Å; I123-V125 VanDerWaalsContact C-N 3.33Å; I123-V125 PolarHBondContact O-N 3.28Å; V125-L128 PolarHBondContact O-N 2.96Å; V125-N129 WeakPolarHBondContact O-CB 3.5Å; V125-N129 VanDerWaalsContact O-CG 3.24Å; V125-N129 PolarHBondContact O-N 3.14Å; V125-M196 HydrophobicContact CB-CE 4.3Å; V125-M196 HydrophobicContact CB-SD 4.44Å; V125-M196 HydrophobicContact CG1-CE 3.82Å; V125-M196 HydrophobicContact CG1-SD 4.14Å; V125-M196 HydrophobicContact CG2-CE 4.34Å; V125-M196 HydrophobicContact CG2-SD 3.86Å; V125-L199 HydrophobicContact CG2-CD2 4.45Å
126R94.2Very high91.7Very high55 Ų5547.2 Ų47.221%0.20824%0.238CC..Hα-helixtrans-68.1-46.1-176.7-64.4176.3-167.9-79.1-15.1111.9E78 Y81 P121 G122 I123 L128 N129 D130E78-R126 WeakPolarHBondContact OE2-CD 3.43Å; E78-R126 IonicContact OE2-CZ 3.11Å; E78-R126 IonicContact OE2-NE 3.23Å; E78-R126 IonicContact OE2-NH1 2.69Å; E78-R126 PolarHBondContact OE2-NH1 3.42Å; Y81-R126 HydrophobicContact CD1-CB 3.76Å; Y81-R126 HydrophobicContact CD1-CG 4.37Å; Y81-R126 HydrophobicContact CD2-CB 3.57Å; Y81-R126 HydrophobicContact CE1-CB 4Å; Y81-R126 HydrophobicContact CE2-CB 3.87Å; Y81-R126 HydrophobicContact CG-CB 3.57Å; Y81-R126 HydrophobicContact CG-CG 4.26Å; P121-R126 VanDerWaalsContact O-CZ 3.3Å; P121-R126 PolarHBondContact O-NE 3.35Å; P121-R126 PolarHBondContact O-NH2 2.82Å; G122-R126 PolarHBondContact O-N 2.91Å; I123-R126 PolarHBondContact O-N 3.19Å; R126-L128 VanDerWaalsContact C-N 3.32Å; R126-L128 PolarHBondContact O-N 3.45Å; R126-N129 PolarHBondContact O-N 3.41Å; R126-D130 WeakPolarHBondContact O-CB 3.42Å; R126-D130 PolarHBondContact O-N 2.64Å
127T95Very high91.7Very high1 Ų152.6 Ų52.61%0.00626%0.259CS..Hα-helixtrans-64.5-36.2178.7-500000111.7Y81 T85 I89 I123 L131 L246 M248Y81-T127 WeakPolarHBondContact CE2-OG1 3.16Å; T85-T127 PolarHBondContact OG1-OG1 2.81Å; I89-T127 HydrophobicContact CD1-CG2 3.95Å; I89-T127 HydrophobicContact CG1-CG2 3.91Å; I123-T127 WeakPolarHBondContact CG2-OG1 3.2Å; I123-T127 VanDerWaalsContact O-CB 3.31Å; I123-T127 WeakPolarHBondContact O-CB 3.44Å; I123-T127 PolarHBondContact O-N 3.12Å; I123-T127 PolarHBondContact O-OG1 3.34Å; T127-L131 WeakPolarHBondContact O-CB 3.24Å; T127-L131 PolarHBondContact O-N 3.05Å; T127-L246 HydrophobicContact CG2-CD2 3.67Å; T127-M248 HydrophobicContact CG2-SD 3.98Å
128L92.6Very high91.7Very high0 Ų051.7 Ų51.70%025%0.254CS..Hα-helixtrans-69.1-46.2175.6-72.6173.8000112.3Y124 V125 R126 L131 F132 I195 L199 L224 V226 M248Y124-L128 VanDerWaalsContact O-CB 3.29Å; Y124-L128 WeakPolarHBondContact O-CB 3.26Å; Y124-L128 WeakPolarHBondContact O-CD1 3.31Å; Y124-L128 WeakPolarHBondContact O-CG 3.37Å; Y124-L128 PolarHBondContact O-N 3.07Å; Y124-L128 VanDerWaalsContact O-N 3.14Å; V125-L128 PolarHBondContact O-N 2.96Å; R126-L128 VanDerWaalsContact C-N 3.32Å; R126-L128 PolarHBondContact O-N 3.45Å; L128-L131 PolarHBondContact O-N 3.46Å; L128-F132 WeakPolarHBondContact O-CD2 3.32Å; L128-F132 PolarHBondContact O-N 3.26Å; L128-I195 HydrophobicContact CB-CG2 4.2Å; L128-I195 HydrophobicContact CD1-CG1 4.3Å; L128-I195 HydrophobicContact CD1-CG2 3.9Å; L128-I195 HydrophobicContact CD2-CD1 3.75Å; L128-I195 HydrophobicContact CD2-CG1 4.32Å; L128-I195 HydrophobicContact CD2-CG2 4.31Å; L128-I195 HydrophobicContact CG-CG2 4.36Å; L128-L199 HydrophobicContact CD1-CD2 4.36Å; L128-L224 HydrophobicContact CD1-CD2 4.36Å; L128-V226 HydrophobicContact CD2-CG2 3.78Å; L128-M248 HydrophobicContact CD2-CE 4.36Å; L128-M248 HydrophobicContact CG-CE 4.38Å
129N91.5Very high91.8Very high70 Ų7046 Ų4637%0.37423%0.226SC..Hα-helixtrans-62.2-44.6178.8-70.8-9.4000112V125 R126 L131 F132 R133V125-N129 WeakPolarHBondContact O-CB 3.5Å; V125-N129 VanDerWaalsContact O-CG 3.24Å; V125-N129 PolarHBondContact O-N 3.14Å; R126-N129 PolarHBondContact O-N 3.41Å; N129-L131 VanDerWaalsContact C-N 3.34Å; N129-F132 PolarHBondContact O-N 3.12Å; N129-R133 PolarHBondContact O-N 3.38Å
130D93.4Very high91.7Very high22 Ų2243.6 Ų43.612%0.11822%0.22CC..Hα-helixtrans-68.3-31.3176.2-86.217.4000112.4Y81 I89 R126 R133 A134Y81-D130 WeakPolarHBondContact CE1-OD2 3.49Å; Y81-D130 WeakPolarHBondContact OH-CB 3.31Å; Y81-D130 PolarHBondContact OH-OD2 3.4Å; I89-D130 HydrophobicContact CD1-CB 3.45Å; I89-D130 VanDerWaalsContact CD1-CB 3.45Å; R126-D130 WeakPolarHBondContact O-CB 3.42Å; R126-D130 PolarHBondContact O-N 2.64Å; D130-R133 IonicContact OD1-CZ 2.89Å; D130-R133 IonicContact OD1-NH1 2.79Å; D130-R133 PolarHBondContact OD1-NH1 3.41Å; D130-R133 IonicContact OD1-NH2 3.52Å; D130-R133 PolarHBondContact OD1-NH2 2.91Å; D130-R133 IonicContact OD2-NH2 2.66Å; D130-R133 PolarHBondContact OD2-NH2 3.28Å; D130-A134 VanDerWaalsContact O-CB 3.3Å; D130-A134 WeakPolarHBondContact O-CB 3.44Å; D130-A134 PolarHBondContact O-N 2.93Å
131L93.9Very high91.4Very high0 Ų044.5 Ų44.50%023%0.227CC..Hα-helixtrans-66.9-43.7175.2178152.7000111.9I89 V92 T127 L128 N129 I135 V226 V228 L246I89-L131 HydrophobicContact CG2-CB 4.03Å; V92-L131 HydrophobicContact CG1-CD1 4.35Å; T127-L131 WeakPolarHBondContact O-CB 3.24Å; T127-L131 PolarHBondContact O-N 3.05Å; L128-L131 PolarHBondContact O-N 3.46Å; N129-L131 VanDerWaalsContact C-N 3.34Å; L131-I135 HydrophobicContact CD2-CD1 3.75Å; L131-I135 HydrophobicContact CG-CD1 4.44Å; L131-I135 WeakPolarHBondContact O-CG1 2.99Å; L131-I135 PolarHBondContact O-N 3.43Å; L131-I135 VanDerWaalsContact O-N 3.09Å; L131-V226 HydrophobicContact CD1-CG1 4.28Å; L131-V228 HydrophobicContact CD1-CG2 4.01Å; L131-V228 HydrophobicContact CD2-CG2 4.25Å; L131-V228 HydrophobicContact CG-CG2 4.46Å; L131-L246 HydrophobicContact CD1-CD2 4.27Å
132F91.6Very high91.1Very high9 Ų945.2 Ų45.24%0.03923%0.228CC..Hα-helixtrans-67.4-42174.5-82.9-76.4000111.8L128 N129 A134 I135 E136 V146 A192 I195L128-F132 WeakPolarHBondContact O-CD2 3.32Å; L128-F132 PolarHBondContact O-N 3.26Å; N129-F132 PolarHBondContact O-N 3.12Å; F132-A134 PolarHBondContact O-N 3.15Å; F132-I135 WeakPolarHBondContact O-CB 3.48Å; F132-I135 PolarHBondContact O-N 3.25Å; F132-I135 VanDerWaalsContact O-N 3.14Å; F132-E136 WeakPolarHBondContact O-CG 3.23Å; F132-E136 PolarHBondContact O-N 2.95Å; F132-V146 HydrophobicContact CE1-CG2 4.41Å; F132-V146 HydrophobicContact CZ-CB 4.47Å; F132-V146 HydrophobicContact CZ-CG1 4.13Å; F132-A192 HydrophobicContact CB-CB 4.09Å; F132-A192 HydrophobicContact CD2-CB 3.8Å; F132-A192 HydrophobicContact CG-CB 4.02Å; F132-I195 HydrophobicContact CD2-CG2 4.38Å; F132-I195 HydrophobicContact CE2-CB 4.14Å; F132-I195 HydrophobicContact CE2-CD1 4Å; F132-I195 HydrophobicContact CE2-CG2 3.73Å; F132-I195 HydrophobicContact CZ-CD1 4.35Å
133R91.8Very high90.9Very high107 Ų10747.8 Ų47.840%0.40424%0.24SC..Hα-helixtrans-61-43.6176.1-166.9-177.461.2-104.9-3.9112.3N129 D130 I135 E136 E137N129-R133 PolarHBondContact O-N 3.38Å; D130-R133 IonicContact OD1-CZ 2.89Å; D130-R133 IonicContact OD1-NH1 2.79Å; D130-R133 PolarHBondContact OD1-NH1 3.41Å; D130-R133 IonicContact OD1-NH2 3.52Å; D130-R133 PolarHBondContact OD1-NH2 2.91Å; D130-R133 IonicContact OD2-NH2 2.66Å; D130-R133 PolarHBondContact OD2-NH2 3.28Å; R133-I135 VanDerWaalsContact C-N 3.29Å; R133-I135 PolarHBondContact O-N 3.23Å; R133-E136 PolarHBondContact O-N 3.15Å; R133-E137 WeakPolarHBondContact CD-OE1 3.2Å; R133-E137 HydrophobicContact CG-CG 4.44Å; R133-E137 WeakPolarHBondContact CG-OE1 3.26Å; R133-E137 IonicContact NE-OE1 3.92Å; R133-E137 PolarHBondContact NE-OE1 3.4Å; R133-E137 WeakPolarHBondContact O-CB 3.38Å; R133-E137 VanDerWaalsContact O-CG 3.27Å; R133-E137 WeakPolarHBondContact O-CG 3.42Å; R133-E137 PolarHBondContact O-N 3.45Å
134A92Very high90.7Very high16 Ų1649.5 Ų49.513%0.13225%0.247CC..Hα-helixtrans-65.4-30.9176.500000112.9I89 I93 D130 F132 T138I89-A134 HydrophobicContact CG2-CB 4.25Å; I93-A134 HydrophobicContact CD1-CB 4.07Å; D130-A134 VanDerWaalsContact O-CB 3.3Å; D130-A134 WeakPolarHBondContact O-CB 3.44Å; D130-A134 PolarHBondContact O-N 2.93Å; F132-A134 PolarHBondContact O-N 3.15Å; A134-T138 PolarHBondContact O-N 3Å; A134-T138 PolarHBondContact O-OG1 3.46Å
135I91.3Very high90.6Very high18 Ų1853.3 Ų53.39%0.09226%0.264CS..Hα-helixtrans-69.2-44.1171.3-76.7173.4000111I93 L131 F132 R133 T138 S139 Y144 V146 V228I93-I135 HydrophobicContact CG2-CG1 4.02Å; L131-I135 HydrophobicContact CD2-CD1 3.75Å; L131-I135 HydrophobicContact CG-CD1 4.44Å; L131-I135 WeakPolarHBondContact O-CG1 2.99Å; L131-I135 PolarHBondContact O-N 3.43Å; L131-I135 VanDerWaalsContact O-N 3.09Å; F132-I135 WeakPolarHBondContact O-CB 3.48Å; F132-I135 PolarHBondContact O-N 3.25Å; F132-I135 VanDerWaalsContact O-N 3.14Å; R133-I135 VanDerWaalsContact C-N 3.29Å; R133-I135 PolarHBondContact O-N 3.23Å; I135-T138 CarbonylContact O-C 3.57Å; I135-T138 PolarHBondContact O-N 3.03Å; I135-T138 PolarHBondContact O-OG1 3.29Å; I135-S139 WeakPolarHBondContact O-CA 3.4Å; I135-S139 VanDerWaalsContact O-CB 3.28Å; I135-S139 WeakPolarHBondContact O-CB 3.26Å; I135-S139 PolarHBondContact O-N 3.39Å; I135-Y144 HydrophobicContact CB-CD2 4.42Å; I135-Y144 HydrophobicContact CB-CG 4.43Å; I135-Y144 HydrophobicContact CD1-CD1 4.23Å; I135-Y144 HydrophobicContact CD1-CG 4.34Å; I135-Y144 HydrophobicContact CG1-CD1 3.92Å; I135-Y144 HydrophobicContact CG1-CD2 4.37Å; I135-Y144 HydrophobicContact CG1-CE1 4.22Å; I135-Y144 HydrophobicContact CG1-CG 4Å; I135-Y144 HydrophobicContact CG2-CD2 3.76Å; I135-Y144 HydrophobicContact CG2-CE2 4.47Å; I135-Y144 HydrophobicContact CG2-CG 3.83Å; I135-V146 HydrophobicContact CD1-CG2 3.56Å; I135-V228 HydrophobicContact CD1-CG1 4.06Å
136E89.7Confident90.7Very high118 Ų11852.7 Ų52.755%0.55126%0.261SS*.Hα-helixtrans-61.5-48.5176.4-72.6167.8-168.800111.3F132 R133 T138 S139F132-E136 WeakPolarHBondContact O-CG 3.23Å; F132-E136 PolarHBondContact O-N 2.95Å; R133-E136 PolarHBondContact O-N 3.15Å; E136-T138 PolarHBondContact O-N 3.32Å; E136-S139 WeakPolarHBondContact O-CB 3.4Å; E136-S139 PolarHBondContact O-N 3Å; E136-S139 VanDerWaalsContact O-N 3.16Å; E136-S139 PolarHBondContact O-OG 2.96Å
137E90Very high90.6Very high129 Ų12951.2 Ų51.260%0.60326%0.259SS*.Hα-helixtrans-55.7-31.9176.3-74167.4-169.600112.9R133R133-E137 WeakPolarHBondContact CD-OE1 3.2Å; R133-E137 HydrophobicContact CG-CG 4.44Å; R133-E137 WeakPolarHBondContact CG-OE1 3.26Å; R133-E137 IonicContact NE-OE1 3.92Å; R133-E137 PolarHBondContact NE-OE1 3.4Å; R133-E137 WeakPolarHBondContact O-CB 3.38Å; R133-E137 VanDerWaalsContact O-CG 3.27Å; R133-E137 WeakPolarHBondContact O-CG 3.42Å; R133-E137 PolarHBondContact O-N 3.45Å
138T87.8Confident90.6Very high50 Ų5051.2 Ų51.231%0.30726%0.259SS..Hα-helixtrans-104.80.8-178.754.50000114.4A134 I135 E136 N140 D141 M142 Y144A134-T138 PolarHBondContact O-N 3Å; A134-T138 PolarHBondContact O-OG1 3.46Å; I135-T138 CarbonylContact O-C 3.57Å; I135-T138 PolarHBondContact O-N 3.03Å; I135-T138 PolarHBondContact O-OG1 3.29Å; E136-T138 PolarHBondContact O-N 3.32Å; T138-N140 PolarHBondContact O-N 3.3Å; T138-N140 VanDerWaalsContact O-N 3.11Å; T138-D141 PolarHBondContact O-N 2.82Å; T138-M142 PolarHBondContact O-N 3.42Å; T138-Y144 WeakPolarHBondContact OG1-CE2 3.32Å; T138-Y144 PolarHBondContact OG1-OH 2.92Å
139S86.7Confident90.6Very high39 Ų3951.2 Ų51.227%0.27326%0.259SS..THydrogen-bonded Turntrans-68-11.2-173.366.50000114.9I135 E136 M142 R233I135-S139 WeakPolarHBondContact O-CA 3.4Å; I135-S139 VanDerWaalsContact O-CB 3.28Å; I135-S139 WeakPolarHBondContact O-CB 3.26Å; I135-S139 PolarHBondContact O-N 3.39Å; E136-S139 WeakPolarHBondContact O-CB 3.4Å; E136-S139 PolarHBondContact O-N 3Å; E136-S139 VanDerWaalsContact O-N 3.16Å; E136-S139 PolarHBondContact O-OG 2.96Å; S139-M142 CarbonylContact C-O 3.1Å; S139-M142 VanDerWaalsContact O-O 3.09Å; S139-R233 VanDerWaalsContact O-CZ 3.24Å; S139-R233 PolarHBondContact O-NE 3.23Å; S139-R233 PolarHBondContact O-NH2 3.1Å
140N86.1Confident90.7Very high130 Ų13047.9 Ų47.970%0.69524%0.241SC*.THydrogen-bonded Turntrans-71.2-41179.1-67.9-50.6000112.7T138 R233T138-N140 PolarHBondContact O-N 3.3Å; T138-N140 VanDerWaalsContact O-N 3.11Å; N140-R233 WeakPolarHBondContact O-CD 3.46Å
141D84Confident90.7Very high108 Ų10846.9 Ų46.958%0.57824%0.236SC*.THydrogen-bonded Turntrans-97.8-23-178-63.2-48000113T138 R233T138-D141 PolarHBondContact O-N 2.82Å; D141-R233 WeakPolarHBondContact O-CB 3.44Å; D141-R233 WeakPolarHBondContact O-CG 3.32Å; D141-R233 PolarHBondContact O-N 2.97Å
142M87Confident90.6Very high48 Ų4847 Ų4724%0.23624%0.236CC..EExtended strand (participates in β ladder)trans-126.6145.1-168.5-62.5-71165.100111.4T138 S139 Y144 Q230 R233T138-M142 PolarHBondContact O-N 3.42Å; S139-M142 CarbonylContact C-O 3.1Å; S139-M142 VanDerWaalsContact O-O 3.09Å; M142-Y144 HydrophobicContact CB-CD2 4.25Å; M142-Y144 HydrophobicContact CB-CE2 3.48Å; M142-Y144 VanDerWaalsContact CB-CE2 3.48Å; M142-Q230 HydrophobicContact CB-CG 4.15Å; M142-Q230 HydrophobicContact CG-CG 4.21Å; M142-Q230 HydrophobicContact SD-CG 3.96Å; M142-R233 PolarHBondContact O-NE 3.37Å
143E88.9Confident90.6Very high55 Ų5546.7 Ų46.726%0.25724%0.235SC..EExtended strand (participates in β ladder)trans-103.9134.5169-86.5163.4-152.300109.9Q230 R231 R233E143-Q230 CarbonylContact O-C 3.57Å; E143-Q230 WeakPolarHBondContact O-CA 3.45Å; E143-R231 HydrophobicContact CB-CG 3.64Å; E143-R231 PolarHBondContact N-O 3.44Å; E143-R231 PolarHBondContact O-N 2.92Å; E143-R231 IonicContact OE2-CZ 2.7Å; E143-R231 IonicContact OE2-NE 3.77Å; E143-R231 PolarHBondContact OE2-NE 2.73Å; E143-R231 IonicContact OE2-NH2 2.77Å; E143-R231 PolarHBondContact OE2-NH2 2.88Å; E143-R233 HydrophobicContact CB-CG 4.45Å; E143-R233 HydrophobicContact CG-CG 3.77Å; E143-R233 VanDerWaalsContact CG-CZ 3.48Å; E143-R233 IonicContact OE1-CZ 3.61Å; E143-R233 IonicContact OE1-NH1 3.22Å; E143-R233 PolarHBondContact OE1-NH1 3.48Å
144Y91.5Very high90.3Very high39 Ų3943.9 Ų43.915%0.15323%0.225CC..EExtended strand (participates in β ladder)trans-119.6136.7-177.1-66.7-89000110.9I93 I135 T138 M142 V228 R229 Q230I93-Y144 HydrophobicContact CB-CE1 4.15Å; I135-Y144 HydrophobicContact CB-CD2 4.42Å; I135-Y144 HydrophobicContact CB-CG 4.43Å; I135-Y144 HydrophobicContact CD1-CD1 4.23Å; I135-Y144 HydrophobicContact CD1-CG 4.34Å; I135-Y144 HydrophobicContact CG1-CD1 3.92Å; I135-Y144 HydrophobicContact CG1-CD2 4.37Å; I135-Y144 HydrophobicContact CG1-CE1 4.22Å; I135-Y144 HydrophobicContact CG1-CG 4Å; I135-Y144 HydrophobicContact CG2-CD2 3.76Å; I135-Y144 HydrophobicContact CG2-CE2 4.47Å; I135-Y144 HydrophobicContact CG2-CG 3.83Å; T138-Y144 WeakPolarHBondContact OG1-CE2 3.32Å; T138-Y144 PolarHBondContact OG1-OH 2.92Å; M142-Y144 HydrophobicContact CB-CD2 4.25Å; M142-Y144 HydrophobicContact CB-CE2 3.48Å; M142-Y144 VanDerWaalsContact CB-CE2 3.48Å; Y144-V228 HydrophobicContact CD1-CG1 3.79Å; Y144-V228 HydrophobicContact CE1-CG1 4.38Å; Y144-R229 CarbonylContact C-O 3.48Å; Y144-R229 WeakPolarHBondContact CA-O 3.4Å; Y144-Q230 HydrophobicContact CD1-CB 3.94Å; Y144-Q230 HydrophobicContact CD1-CG 4.24Å; Y144-Q230 HydrophobicContact CE1-CB 3.67Å; Y144-Q230 HydrophobicContact CE1-CG 3.63Å; Y144-Q230 PolarHBondContact OH-NE2 3.27Å
145E91.3Very high89.9Confident81 Ų8145 Ų4538%0.37923%0.229SC..EExtended strand (participates in β ladder)trans-117.6121.3166.6-64172165.100107.5R229 R231E145-R229 HydrophobicContact CB-CB 4.29Å; E145-R229 PolarHBondContact N-O 3.4Å; E145-R229 PolarHBondContact O-N 3.16Å; E145-R229 IonicContact OE1-NH1 2.72Å; E145-R229 WeakPolarHBondContact OE2-CD 3.46Å; E145-R229 IonicContact OE2-CZ 3.98Å; E145-R229 IonicContact OE2-NE 3.39Å; E145-R229 IonicContact OE2-NH1 3.2Å; E145-R229 PolarHBondContact OE2-NH1 3.03Å; E145-R231 IonicContact OE1-CZ 3.68Å; E145-R231 IonicContact OE1-NH1 2.83Å; E145-R231 PolarHBondContact OE1-NH1 3.03Å; E145-R231 IonicContact OE2-NH1 3.15Å
146V93.7Very high89.7Confident12 Ų1245.5 Ų45.57%0.07323%0.231CC..EExtended strand (participates in β ladder)trans-112.2128.2-179.5-176.20000109.3F132 I135 S188 T189 V226 A227 V228F132-V146 HydrophobicContact CE1-CG2 4.41Å; F132-V146 HydrophobicContact CZ-CB 4.47Å; F132-V146 HydrophobicContact CZ-CG1 4.13Å; I135-V146 HydrophobicContact CD1-CG2 3.56Å; V146-S188 WeakPolarHBondContact O-CA 3.48Å; V146-T189 PolarHBondContact O-N 3.39Å; V146-T189 VanDerWaalsContact O-N 3.07Å; V146-V226 HydrophobicContact CG1-CG1 3.84Å; V146-A227 WeakPolarHBondContact CA-O 3.44Å; V146-V228 HydrophobicContact CG2-CG2 4.41Å
147S93.3Very high89.7Confident24 Ų2443.1 Ų43.117%0.16822%0.22CC..EExtended strand (participates in β ladder)trans-123.6143168.768.50000112V187 V226 A227S147-V187 CarbonylContact C-O 3.59Å; S147-V187 VanDerWaalsContact CA-O 3.3Å; S147-V187 WeakPolarHBondContact CA-O 3.34Å; S147-V226 CarbonylContact O-C 3.59Å; S147-V226 WeakPolarHBondContact O-CA 3.42Å; S147-A227 PolarHBondContact N-O 3.23Å; S147-A227 PolarHBondContact O-N 3.42Å
148M93.5Very high89.8Confident0 Ų037 Ų370%019%0.192CC..EExtended strand (participates in β ladder)trans-114.3137.4178-173.4-154.5-17200109.4L162 V187 I195 L198 L199 L224 Q225M148-L162 HydrophobicContact SD-CD1 4.45Å; M148-V187 PolarHBondContact N-O 3.4Å; M148-V187 PolarHBondContact O-N 2.91Å; M148-I195 HydrophobicContact CB-CD1 3.87Å; M148-I195 HydrophobicContact CB-CG1 4.06Å; M148-I195 HydrophobicContact CE-CG1 4.23Å; M148-I195 HydrophobicContact CG-CD1 4.03Å; M148-I195 HydrophobicContact CG-CG1 3.9Å; M148-I195 HydrophobicContact SD-CD1 4.34Å; M148-I195 HydrophobicContact SD-CG1 3.55Å; M148-I195 VanDerWaalsContact SD-CG1 3.55Å; M148-L198 HydrophobicContact CE-CB 4.09Å; M148-L198 HydrophobicContact SD-CB 3.45Å; M148-L198 WeakPolarHBondContact SD-CB 3.48Å; M148-L198 HydrophobicContact SD-CD1 3.8Å; M148-L198 HydrophobicContact SD-CG 4.28Å; M148-L199 HydrophobicContact CE-CB 4.06Å; M148-L224 HydrophobicContact CE-CD1 3.39Å; M148-L224 HydrophobicContact CG-CD1 3.8Å; M148-L224 HydrophobicContact SD-CD1 4.44Å; M148-Q225 WeakPolarHBondContact CA-O 3.49Å
149S93.4Very high90Very high0 Ų038.4 Ų38.40%019%0.191CC..EExtended strand (participates in β ladder)trans-134.1144.1160.458.70000110T185 Q225S149-T185 WeakPolarHBondContact CB-O 3.47Å; S149-Q225 PolarHBondContact N-O 3.04Å; S149-Q225 PolarHBondContact O-N 3.41Å
150Y94Very high90.3Very high0 Ų036.6 Ų36.60%018%0.179CC..EExtended strand (participates in β ladder)trans-133.7125.5-178-168.3-150.7000109.2L161 L199 N203 A222 V223 L224Y150-L161 HydrophobicContact CD1-CB 3.87Å; Y150-L161 HydrophobicContact CD1-CD1 3.78Å; Y150-L161 HydrophobicContact CD1-CG 4.49Å; Y150-L161 HydrophobicContact CD2-CD1 4.2Å; Y150-L161 HydrophobicContact CE1-CB 4.48Å; Y150-L161 HydrophobicContact CE1-CD1 3.69Å; Y150-L161 HydrophobicContact CE2-CD1 4.13Å; Y150-L161 HydrophobicContact CG-CB 4.17Å; Y150-L161 HydrophobicContact CG-CD1 4.03Å; Y150-L161 WeakPolarHBondContact O-CB 3.44Å; Y150-L161 PolarHBondContact O-N 2.92Å; Y150-L199 HydrophobicContact CE1-CD1 4.13Å; Y150-N203 PolarHBondContact OH-OD1 3.41Å; Y150-A222 HydrophobicContact CE2-CB 4.01Å; Y150-V223 WeakPolarHBondContact CD2-O 3.35Å; Y150-L224 HydrophobicContact CD2-CB 3.82Å; Y150-L224 HydrophobicContact CD2-CD1 4.29Å; Y150-L224 HydrophobicContact CE2-CB 4.03Å; Y150-L224 HydrophobicContact CG-CD1 4.45Å
151L93.1Very high90.5Very high2 Ų230.4 Ų30.41%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-135.1157.5-173.970.585.2000112.2I153 I158 R159 V181 I184 V223 L306L151-I153 HydrophobicContact CD1-CD1 4.21Å; L151-I153 HydrophobicContact CD1-CG1 3.59Å; L151-I158 HydrophobicContact CB-CG2 4.41Å; L151-I158 HydrophobicContact CD1-CG2 4.28Å; L151-R159 CarbonylContact C-O 3.49Å; L151-R159 VanDerWaalsContact CA-O 3.31Å; L151-R159 WeakPolarHBondContact CA-O 3.4Å; L151-R159 WeakPolarHBondContact CB-O 3.36Å; L151-V181 HydrophobicContact CD2-CG2 4.01Å; L151-I184 HydrophobicContact CB-CD1 4.16Å; L151-I184 HydrophobicContact CD2-CD1 3.57Å; L151-I184 HydrophobicContact CG-CD1 4.44Å; L151-V223 HydrophobicContact CD1-CB 3.76Å; L151-V223 HydrophobicContact CD1-CG2 4.06Å; L151-V223 HydrophobicContact CG-CB 3.93Å; L151-V223 HydrophobicContact CG-CG1 4.5Å; L151-V223 PolarHBondContact N-O 3.11Å; L151-V223 PolarHBondContact O-N 3.21Å; L151-L306 HydrophobicContact CD2-CD2 4.5Å
152E91.8Very high90.8Very high1 Ų125.6 Ų25.61%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-114.7135.2172.5-179.5171.6-119.500109.9I158 R159 L161 R206 T207 S220 H221E152-I158 CarbonylContact O-C 3.57Å; E152-I158 WeakPolarHBondContact O-CA 3.31Å; E152-R159 HydrophobicContact CB-CB 4.46Å; E152-R159 PolarHBondContact N-O 3.39Å; E152-R159 PolarHBondContact O-N 3.34Å; E152-L161 HydrophobicContact CB-CD1 4.1Å; E152-L161 HydrophobicContact CB-CD2 3.85Å; E152-L161 HydrophobicContact CB-CG 4.05Å; E152-R206 WeakPolarHBondContact OE1-CG 3.41Å; E152-T207 PolarHBondContact OE1-N 2.78Å; E152-T207 VanDerWaalsContact OE2-CB 3.26Å; E152-T207 WeakPolarHBondContact OE2-CB 3.5Å; E152-T207 PolarHBondContact OE2-N 2.88Å; E152-T207 PolarHBondContact OE2-OG1 3.14Å; E152-S220 WeakPolarHBondContact OE1-CB 3.39Å; E152-S220 PolarHBondContact OE1-OG 3.15Å; E152-H221 CarbonylContact C-O 3.27Å; E152-H221 WeakPolarHBondContact CA-O 3.47Å
153I90.9Very high90.9Very high3 Ų326.1 Ų26.12%0.01512%0.123CC..EExtended strand (participates in β ladder)trans-108.8105.3166.2-45.7-176.6000107.9L151 M157 I158 H221 L303 L306L151-I153 HydrophobicContact CD1-CD1 4.21Å; L151-I153 HydrophobicContact CD1-CG1 3.59Å; I153-M157 WeakPolarHBondContact CA-O 3.29Å; I153-I158 HydrophobicContact CG1-CG1 4.39Å; I153-H221 HydrophobicContact CB-CB 4.26Å; I153-H221 PolarHBondContact N-O 3.36Å; I153-H221 PolarHBondContact O-N 3Å; I153-L303 HydrophobicContact CD1-CB 4.46Å; I153-L303 HydrophobicContact CD1-CD1 4.33Å; I153-L306 HydrophobicContact CD1-CD2 4.17Å
154Y86.4Confident90.5Very high48 Ų4825.6 Ų25.619%0.18813%0.125CC..EExtended strand (participates in β ladder)trans-126.8130.4179.5175-116.3000109.4E156 M157 R219 E269Y154-E156 VanDerWaalsContact C-N 3.27Å; Y154-E156 PolarHBondContact O-N 2.87Å; Y154-M157 PolarHBondContact N-O 3.36Å; Y154-M157 WeakPolarHBondContact O-CA 3.41Å; Y154-M157 WeakPolarHBondContact O-CB 3.44Å; Y154-M157 PolarHBondContact O-N 3.48Å; Y154-R219 HydrophobicContact CE2-CB 4.44Å; Y154-E269 HydrophobicContact CE2-CG 3.9Å; Y154-E269 PolarHBondContact OH-OE1 3.3Å
155N83.6Confident90.1Very high41 Ų4128.1 Ų28.122%0.21915%0.154CC..THydrogen-bonded Turntrans51.339.9179.9-16661.2000114.4M157 H272N155-M157 PolarHBondContact O-N 3.23Å; N155-M157 VanDerWaalsContact O-N 3.15Å; N155-H272 WeakPolarHBondContact OD1-CB 3.33Å; N155-H272 PolarHBondContact OD1-CD2 3.3Å
156E88.2Confident89.6Confident28 Ų2828 Ų2813%0.13116%0.156CC..THydrogen-bonded Turntrans56.817.7-171.3-72.5-72113.200115.3Y154 S301 K302Y154-E156 VanDerWaalsContact C-N 3.27Å; Y154-E156 PolarHBondContact O-N 2.87Å; E156-S301 WeakPolarHBondContact OE2-CA 3.2Å; E156-K302 WeakPolarHBondContact O-CD 3.29Å; E156-K302 WeakPolarHBondContact O-CE 3.29Å; E156-K302 PolarHBondContact O-NZ 3.14Å; E156-K302 PolarHBondContact OE2-N 3.26Å
157M88.6Confident89.1Confident68 Ų6829.1 Ų29.134%0.33517%0.169SC..EExtended strand (participates in β ladder)trans-102144.7168.3-55.1-58.6-79.800109.6I153 Y154 N155 Y168I153-M157 WeakPolarHBondContact CA-O 3.29Å; Y154-M157 PolarHBondContact N-O 3.36Å; Y154-M157 WeakPolarHBondContact O-CA 3.41Å; Y154-M157 WeakPolarHBondContact O-CB 3.44Å; Y154-M157 PolarHBondContact O-N 3.48Å; N155-M157 PolarHBondContact O-N 3.23Å; N155-M157 VanDerWaalsContact O-N 3.15Å; M157-Y168 HydrophobicContact CB-CD1 3.66Å; M157-Y168 HydrophobicContact CB-CE1 3.74Å; M157-Y168 HydrophobicContact CB-CG 4.4Å; M157-Y168 HydrophobicContact CE-CD1 3.97Å; M157-Y168 HydrophobicContact CE-CD2 3.5Å; M157-Y168 VanDerWaalsContact CE-CD2 3.5Å; M157-Y168 HydrophobicContact CE-CE1 4.38Å; M157-Y168 HydrophobicContact CE-CE2 3.97Å; M157-Y168 HydrophobicContact CE-CG 3.49Å; M157-Y168 VanDerWaalsContact CE-CG 3.49Å; M157-Y168 HydrophobicContact CG-CD1 4.32Å; M157-Y168 HydrophobicContact CG-CE1 4.2Å
158I92Very high88.9Confident0 Ų035.5 Ų35.50%019%0.191CC..EExtended strand (participates in β ladder)trans-103.5130.4174.8-61.4173.4000107.6L151 E152 I153 Y168 L169 L171 V181 K302L151-I158 HydrophobicContact CB-CG2 4.41Å; L151-I158 HydrophobicContact CD1-CG2 4.28Å; E152-I158 CarbonylContact O-C 3.57Å; E152-I158 WeakPolarHBondContact O-CA 3.31Å; I153-I158 HydrophobicContact CG1-CG1 4.39Å; I158-Y168 CarbonylContact O-C 3.54Å; I158-Y168 WeakPolarHBondContact O-CA 3.22Å; I158-L169 HydrophobicContact CB-CB 4.23Å; I158-L169 HydrophobicContact CG2-CB 4.01Å; I158-L169 PolarHBondContact O-N 3.4Å; I158-L171 HydrophobicContact CD1-CB 3.96Å; I158-L171 HydrophobicContact CD1-CD1 4.27Å; I158-V181 HydrophobicContact CD1-CG2 4.43Å; I158-V181 HydrophobicContact CG2-CG1 4.12Å; I158-K302 HydrophobicContact CD1-CD 3.91Å; I158-K302 HydrophobicContact CG1-CD 3.88Å
159R91.1Very high88.9Confident79 Ų7936.2 Ų36.230%0.29819%0.194SC..EExtended strand (participates in β ladder)trans-124140.6176-171.3-178-173.4-165.6-0.5109.8L151 E152 T207L151-R159 CarbonylContact C-O 3.49Å; L151-R159 VanDerWaalsContact CA-O 3.31Å; L151-R159 WeakPolarHBondContact CA-O 3.4Å; L151-R159 WeakPolarHBondContact CB-O 3.36Å; E152-R159 HydrophobicContact CB-CB 4.46Å; E152-R159 PolarHBondContact N-O 3.39Å; E152-R159 PolarHBondContact O-N 3.34Å; R159-T207 PolarHBondContact NH1-OG1 3.38Å
160D93.2Very high88.7Confident2 Ų241.4 Ų41.41%0.01122%0.218CC..EExtended strand (participates in β ladder)trans-81.7128.6173.8-168.6-42.4000109.9L162 N163 L166 L169 T185D160-L162 WeakPolarHBondContact OD1-CA 3.32Å; D160-L162 PolarHBondContact OD1-N 3.43Å; D160-N163 PolarHBondContact OD1-N 2.94Å; D160-L166 HydrophobicContact CB-CD1 4.4Å; D160-L169 HydrophobicContact CB-CD1 4.12Å; D160-T185 WeakPolarHBondContact OD2-CB 3.43Å; D160-T185 PolarHBondContact OD2-N 2.94Å; D160-T185 PolarHBondContact OD2-OG1 3.18Å
161L91Very high88.6Confident0 Ų042 Ų420%022%0.221CC..SBendtrans-96.3-0.4179.6-60.8-177.4000113.3Y150 E152 G202 Q205 R206Y150-L161 HydrophobicContact CD1-CB 3.87Å; Y150-L161 HydrophobicContact CD1-CD1 3.78Å; Y150-L161 HydrophobicContact CD1-CG 4.49Å; Y150-L161 HydrophobicContact CD2-CD1 4.2Å; Y150-L161 HydrophobicContact CE1-CB 4.48Å; Y150-L161 HydrophobicContact CE1-CD1 3.69Å; Y150-L161 HydrophobicContact CE2-CD1 4.13Å; Y150-L161 HydrophobicContact CG-CB 4.17Å; Y150-L161 HydrophobicContact CG-CD1 4.03Å; Y150-L161 WeakPolarHBondContact O-CB 3.44Å; Y150-L161 PolarHBondContact O-N 2.92Å; E152-L161 HydrophobicContact CB-CD1 4.1Å; E152-L161 HydrophobicContact CB-CD2 3.85Å; E152-L161 HydrophobicContact CB-CG 4.05Å; L161-G202 WeakPolarHBondContact O-CA 3.47Å; L161-Q205 PolarHBondContact O-OE1 3.1Å; L161-R206 HydrophobicContact CD1-CB 4.39Å; L161-R206 HydrophobicContact CD2-CB 4.47Å
162L90.9Very high88.4Confident6 Ų648.9 Ų48.93%0.03125%0.247CC..SBendtrans-103.8-30.4172.4-55-176.7000110.8M148 D160 V187 L198 K201M148-L162 HydrophobicContact SD-CD1 4.45Å; D160-L162 WeakPolarHBondContact OD1-CA 3.32Å; D160-L162 PolarHBondContact OD1-N 3.43Å; L162-V187 HydrophobicContact CD1-CG2 3.8Å; L162-L198 HydrophobicContact CD2-CB 4.11Å; L162-L198 HydrophobicContact CD2-CD2 4.33Å; L162-K201 PolarHBondContact O-NZ 3.27Å
163N88.7Confident88.1Confident59 Ų5952.1 Ų52.132%0.31626%0.262SS..  trans-13881.8177.8-171.51.9000112.6D160 A165 L166 T185D160-N163 PolarHBondContact OD1-N 2.94Å; N163-A165 PolarHBondContact O-N 3.48Å; N163-A165 VanDerWaalsContact O-N 3.14Å; N163-L166 HydrophobicContact CB-CD1 4.01Å; N163-L166 HydrophobicContact CB-CG 4.27Å; N163-L166 PolarHBondContact O-N 3.17Å; N163-T185 HydrophobicContact CB-CG2 4.47Å; N163-T185 WeakPolarHBondContact CB-OG1 3.48Å
164P79.9Confident87.7Confident44 Ų4454.4 Ų54.429%0.28628%0.275SS..G310 helixtrans-74.5-7.6-172.232.2-35.6000113.1L166P164-L166 VanDerWaalsContact C-N 3.26Å; P164-L166 PolarHBondContact O-N 3.44Å
165A83Confident87.4Confident93 Ų9358.4 Ų58.477%0.76931%0.31SS*.G310 helixtrans-74.2-14.3177.700000113.3N163 G167N163-A165 PolarHBondContact O-N 3.48Å; N163-A165 VanDerWaalsContact O-N 3.14Å; A165-G167 PolarHBondContact O-N 3.48Å
166L81.3Confident87Confident79 Ų7964.9 Ų64.941%0.41434%0.336SS..G310 helixtrans-71.5-11.9175.7-61174.2000113.4D160 N163 P164 Y168 L169 G183D160-L166 HydrophobicContact CB-CD1 4.4Å; N163-L166 HydrophobicContact CB-CD1 4.01Å; N163-L166 HydrophobicContact CB-CG 4.27Å; N163-L166 PolarHBondContact O-N 3.17Å; P164-L166 VanDerWaalsContact C-N 3.26Å; P164-L166 PolarHBondContact O-N 3.44Å; L166-Y168 PolarHBondContact O-N 3.26Å; L166-L169 HydrophobicContact CB-CD2 4.22Å; L166-G183 WeakPolarHBondContact CD1-O 3.4Å
167G84.1Confident86.3Confident34 Ų3464.7 Ų64.735%0.35134%0.341SS..  trans71.8-119-177.400000112.1A165A165-G167 PolarHBondContact O-N 3.48Å
168Y89Confident85.8Confident159 Ų15963.3 Ų63.362%0.62434%0.337SS*.EExtended strand (participates in β ladder)trans-112.8129.6-174-62.5-58.8000112.5M157 I158 L166M157-Y168 HydrophobicContact CB-CD1 3.66Å; M157-Y168 HydrophobicContact CB-CE1 3.74Å; M157-Y168 HydrophobicContact CB-CG 4.4Å; M157-Y168 HydrophobicContact CE-CD1 3.97Å; M157-Y168 HydrophobicContact CE-CD2 3.5Å; M157-Y168 VanDerWaalsContact CE-CD2 3.5Å; M157-Y168 HydrophobicContact CE-CE1 4.38Å; M157-Y168 HydrophobicContact CE-CE2 3.97Å; M157-Y168 HydrophobicContact CE-CG 3.49Å; M157-Y168 VanDerWaalsContact CE-CG 3.49Å; M157-Y168 HydrophobicContact CG-CD1 4.32Å; M157-Y168 HydrophobicContact CG-CE1 4.2Å; I158-Y168 CarbonylContact O-C 3.54Å; I158-Y168 WeakPolarHBondContact O-CA 3.22Å; L166-Y168 PolarHBondContact O-N 3.26Å
169L92.5Very high85.5Confident14 Ų1464 Ų647%0.07334%0.34CS..EExtended strand (participates in β ladder)trans-96.9154.4-176.5-55.8-177.1000113.5I158 D160 L166 V181 I184I158-L169 HydrophobicContact CB-CB 4.23Å; I158-L169 HydrophobicContact CG2-CB 4.01Å; I158-L169 PolarHBondContact O-N 3.4Å; D160-L169 HydrophobicContact CB-CD1 4.12Å; L166-L169 HydrophobicContact CB-CD2 4.22Å; L169-V181 HydrophobicContact CB-CG1 3.67Å; L169-V181 HydrophobicContact CD1-CG1 3.69Å; L169-V181 HydrophobicContact CG-CG1 4.35Å; L169-I184 HydrophobicContact CD1-CB 3.93Å; L169-I184 HydrophobicContact CD1-CG1 4.23Å
170E90.3Very high85.3Confident109 Ų10964.2 Ų64.251%0.50935%0.345SS..EExtended strand (participates in β ladder)trans-101.3145.4177.2-69.2-166.7150.100112.5R172 A182E170-R172 HydrophobicContact CB-CG 4.45Å; E170-R172 IonicContact OE2-CZ 2.85Å; E170-R172 VanDerWaalsContact OE2-CZ 3.25Å; E170-R172 IonicContact OE2-NE 3.58Å; E170-R172 PolarHBondContact OE2-NE 3.12Å; E170-R172 IonicContact OE2-NH2 2.97Å; E170-R172 PolarHBondContact OE2-NH2 3.26Å; E170-A182 PolarHBondContact O-N 3.29Å
171L90.5Very high85.2Confident12 Ų1264.9 Ų64.96%0.06335%0.349CS..EExtended strand (participates in β ladder)trans-103109176.9-168.172.5000110I158 I179 V181 K302 R305 L306I158-L171 HydrophobicContact CD1-CB 3.96Å; I158-L171 HydrophobicContact CD1-CD1 4.27Å; L171-I179 HydrophobicContact CD1-CG2 3.56Å; L171-I179 HydrophobicContact CD2-CG2 4.02Å; L171-I179 HydrophobicContact CG-CG2 3.79Å; L171-V181 HydrophobicContact CD1-CG2 3.63Å; L171-K302 HydrophobicContact CD2-CB 4.35Å; L171-K302 WeakPolarHBondContact CD2-O 3.36Å; L171-R305 HydrophobicContact CD2-CB 3.38Å; L171-R305 HydrophobicContact CD2-CG 4.43Å; L171-R305 PolarHBondContact O-NH1 3.43Å; L171-R305 PolarHBondContact O-NH2 2.96Å; L171-L306 HydrophobicContact CD1-CD1 4.23Å
172R89.9Confident85.1Confident147 Ų14766.5 Ų66.556%0.55536%0.362SS*.EExtended strand (participates in β ladder)trans-109.2162.7-174.1-59.3-169.5-178.8170.5-2.1111E170 Q180 A182E170-R172 HydrophobicContact CB-CG 4.45Å; E170-R172 IonicContact OE2-CZ 2.85Å; E170-R172 VanDerWaalsContact OE2-CZ 3.25Å; E170-R172 IonicContact OE2-NE 3.58Å; E170-R172 PolarHBondContact OE2-NE 3.12Å; E170-R172 IonicContact OE2-NH2 2.97Å; E170-R172 PolarHBondContact OE2-NH2 3.26Å; R172-Q180 PolarHBondContact N-O 3.08Å; R172-Q180 PolarHBondContact O-N 3.24Å; R172-A182 HydrophobicContact CG-CB 3.99Å
173E86Confident85Confident69 Ų6968.9 Ų68.932%0.32239%0.388SS..EExtended strand (participates in β ladder)trans-115.4129.5177.1-76.8163-133.800107.3V178 I179 R299 R305E173-V178 WeakPolarHBondContact CA-O 3.42Å; E173-I179 HydrophobicContact CG-CD1 3.36Å; E173-I179 HydrophobicContact CG-CG1 4.3Å; E173-R299 IonicContact OE1-NE 3.49Å; E173-R299 IonicContact OE1-NH2 2.69Å; E173-R299 IonicContact OE2-CZ 2.6Å; E173-R299 IonicContact OE2-NE 3.35Å; E173-R299 IonicContact OE2-NH2 3.46Å; E173-R299 PolarHBondContact OE2-NH2 2.99Å; E173-R305 IonicContact OE1-CZ 2.72Å; E173-R305 IonicContact OE1-NE 3.58Å; E173-R305 PolarHBondContact OE1-NE 3.06Å; E173-R305 IonicContact OE1-NH2 3.25Å; E173-R305 PolarHBondContact OE1-NH2 3.38Å
174D82Confident85.2Confident52 Ų5267.5 Ų67.528%0.27838%0.38SS..  trans-83.2176.6178.174.618.2000112.6K176 G177 V178 Q180D174-K176 PolarHBondContact O-N 3.03Å; D174-K176 VanDerWaalsContact O-N 3.13Å; D174-K176 WeakPolarHBondContact OD1-CA 3.32Å; D174-K176 WeakPolarHBondContact OD1-CB 3.31Å; D174-K176 PolarHBondContact OD1-N 2.97Å; D174-G177 WeakPolarHBondContact O-CA 3.37Å; D174-G177 PolarHBondContact O-N 2.88Å; D174-G177 PolarHBondContact OD1-N 3.32Å; D174-G177 VanDerWaalsContact OD1-N 3.07Å; D174-V178 PolarHBondContact N-O 3.41Å; D174-V178 PolarHBondContact OD1-N 3.45Å; D174-V178 WeakPolarHBondContact OD2-CB 3.37Å; D174-Q180 PolarHBondContact OD2-NE2 2.92Å
175S79.8Confident85.8Confident131 Ų13167.1 Ų67.192%0.91638%0.377SS*.THydrogen-bonded Turntrans-66.4-10.7-179.3560000114.6
176K75.2Confident86.3Confident177 Ų17767.2 Ų67.277%0.7736%0.362SS*.THydrogen-bonded Turntrans-98.10.3171.6-59.8178-178.3177.30111.7D174 V178D174-K176 PolarHBondContact O-N 3.03Å; D174-K176 VanDerWaalsContact O-N 3.13Å; D174-K176 WeakPolarHBondContact OD1-CA 3.32Å; D174-K176 WeakPolarHBondContact OD1-CB 3.31Å; D174-K176 PolarHBondContact OD1-N 2.97Å; K176-V178 VanDerWaalsContact C-N 3.31Å; K176-V178 HydrophobicContact CB-CG2 4.26Å
177G73.7Confident86.8Confident24 Ų2465.5 Ų65.525%0.24736%0.355CS..  trans76.213.3-176.700000114.1D174 K308D174-G177 WeakPolarHBondContact O-CA 3.37Å; D174-G177 PolarHBondContact O-N 2.88Å; D174-G177 PolarHBondContact OD1-N 3.32Å; D174-G177 VanDerWaalsContact OD1-N 3.07Å; G177-K308 PolarHBondContact O-NZ 2.87Å
178V78.7Confident87.1Confident40 Ų4068.6 Ų68.624%0.24237%0.371CS..  trans-78.2139.8175.5-1750000108.9E173 D174 K176E173-V178 WeakPolarHBondContact CA-O 3.42Å; D174-V178 PolarHBondContact N-O 3.41Å; D174-V178 PolarHBondContact OD1-N 3.45Å; D174-V178 WeakPolarHBondContact OD2-CB 3.37Å; K176-V178 VanDerWaalsContact C-N 3.31Å; K176-V178 HydrophobicContact CB-CG2 4.26Å
179I85.7Confident86.9Confident13 Ų1361.4 Ų61.47%0.06734%0.344CS..EExtended strand (participates in β ladder)trans-85.8128.7-178.1-63.8-88000108.9L171 E173 R305 L306 K308L171-I179 HydrophobicContact CD1-CG2 3.56Å; L171-I179 HydrophobicContact CD2-CG2 4.02Å; L171-I179 HydrophobicContact CG-CG2 3.79Å; E173-I179 HydrophobicContact CG-CD1 3.36Å; E173-I179 HydrophobicContact CG-CG1 4.3Å; I179-R305 HydrophobicContact CD1-CB 4.17Å; I179-R305 VanDerWaalsContact CG1-O 3.32Å; I179-R305 WeakPolarHBondContact CG1-O 3.41Å; I179-L306 HydrophobicContact CG2-CD1 4.37Å; I179-K308 HydrophobicContact CD1-CD 4.47Å; I179-K308 HydrophobicContact CG1-CB 4.45Å; I179-K308 HydrophobicContact CG1-CD 3.91Å
180Q86.1Confident86.3Confident84 Ų8467.6 Ų67.639%0.39338%0.375SS..EExtended strand (participates in β ladder)trans-138.7144.1179.9-52.9-1653300111.2R172 D174R172-Q180 PolarHBondContact N-O 3.08Å; R172-Q180 PolarHBondContact O-N 3.24Å; D174-Q180 PolarHBondContact OD2-NE2 2.92Å
181V91.5Very high85.7Confident17 Ų1764.8 Ų64.810%0.10336%0.364CS..EExtended strand (participates in β ladder)trans-86.8114.8174.6-176.30000108.4L151 I158 L169 L171 G183 I184L151-V181 HydrophobicContact CD2-CG2 4.01Å; I158-V181 HydrophobicContact CD1-CG2 4.43Å; I158-V181 HydrophobicContact CG2-CG1 4.12Å; L169-V181 HydrophobicContact CB-CG1 3.67Å; L169-V181 HydrophobicContact CD1-CG1 3.69Å; L169-V181 HydrophobicContact CG-CG1 4.35Å; L171-V181 HydrophobicContact CD1-CG2 3.63Å; V181-G183 PolarHBondContact O-N 3.35Å; V181-I184 HydrophobicContact CB-CB 4.02Å; V181-I184 HydrophobicContact CB-CD1 4.31Å; V181-I184 HydrophobicContact CB-CG2 4.14Å; V181-I184 HydrophobicContact CG1-CB 3.94Å; V181-I184 HydrophobicContact CG1-CD1 4.44Å; V181-I184 WeakPolarHBondContact O-CG2 3.34Å
182A88.8Confident85.2Confident33 Ų3365.4 Ų65.427%0.27337%0.371SS..EExtended strand (participates in β ladder)trans-74.6124.2-178.200000110.5E170 R172E170-A182 PolarHBondContact O-N 3.29Å; R172-A182 HydrophobicContact CG-CB 3.99Å
183G89Confident84.9Confident57 Ų5765.9 Ų65.959%0.58838%0.377SS*.THydrogen-bonded Turntrans81.713179.200000115.3L166 V181L166-G183 WeakPolarHBondContact CD1-O 3.4Å; V181-G183 PolarHBondContact O-N 3.35Å
184I92.6Very high84.9Confident29 Ų2965.4 Ų65.415%0.14938%0.375CS..  trans-68142.5172.8-165.5169.4000111.7L151 L169 V181 E186L151-I184 HydrophobicContact CB-CD1 4.16Å; L151-I184 HydrophobicContact CD2-CD1 3.57Å; L151-I184 HydrophobicContact CG-CD1 4.44Å; L169-I184 HydrophobicContact CD1-CB 3.93Å; L169-I184 HydrophobicContact CD1-CG1 4.23Å; V181-I184 HydrophobicContact CB-CB 4.02Å; V181-I184 HydrophobicContact CB-CD1 4.31Å; V181-I184 HydrophobicContact CB-CG2 4.14Å; V181-I184 HydrophobicContact CG1-CB 3.94Å; V181-I184 HydrophobicContact CG1-CD1 4.44Å; V181-I184 WeakPolarHBondContact O-CG2 3.34Å; I184-E186 HydrophobicContact CG2-CG 4.34Å; I184-E186 PolarHBondContact O-N 3.16Å
185T92.4Very high85Confident36 Ų3663 Ų6322%0.22136%0.361CS..  trans-77.1107.1174.1-48.60000110S149 D160 N163 V187S149-T185 WeakPolarHBondContact CB-O 3.47Å; D160-T185 WeakPolarHBondContact OD2-CB 3.43Å; D160-T185 PolarHBondContact OD2-N 2.94Å; D160-T185 PolarHBondContact OD2-OG1 3.18Å; N163-T185 HydrophobicContact CB-CG2 4.47Å; N163-T185 WeakPolarHBondContact CB-OG1 3.48Å; T185-V187 HydrophobicContact CG2-CG2 3.83Å
186E92.5Very high85.2Confident96 Ų9658.5 Ų58.545%0.44933%0.326SS..  trans-93.3112.2164.7-61.1-163.1169.600109.3I184 Q225I184-E186 HydrophobicContact CG2-CG 4.34Å; I184-E186 PolarHBondContact O-N 3.16Å; E186-Q225 PolarHBondContact OE1-NE2 3.49Å
187V92Very high85.8Confident42 Ų4255.2 Ų55.226%0.25531%0.314SS..EExtended strand (participates in β ladder)trans-95.7120.8178.1-175.20000109S147 M148 L162 T185 T189 L198S147-V187 CarbonylContact C-O 3.59Å; S147-V187 VanDerWaalsContact CA-O 3.3Å; S147-V187 WeakPolarHBondContact CA-O 3.34Å; M148-V187 PolarHBondContact N-O 3.4Å; M148-V187 PolarHBondContact O-N 2.91Å; L162-V187 HydrophobicContact CD1-CG2 3.8Å; T185-V187 HydrophobicContact CG2-CG2 3.83Å; V187-T189 HydrophobicContact CG1-CG2 4.49Å; V187-L198 HydrophobicContact CB-CD1 3.96Å; V187-L198 HydrophobicContact CG1-CD1 3.7Å; V187-L198 HydrophobicContact CG1-CD2 4.43Å; V187-L198 HydrophobicContact CG2-CD1 4.5Å; V187-L198 HydrophobicContact CG2-CD2 4.49Å
188S90.7Very high86.5Confident100 Ų10055.4 Ų55.470%0.69931%0.309SS*.EExtended strand (participates in β ladder)trans-74125.8170.454.70000110.3V146V146-S188 WeakPolarHBondContact O-CA 3.48Å
189T85.4Confident87Confident7 Ų753.6 Ų53.64%0.04330%0.298CS..  trans-120.1137.7-179.154.30000110.6V146 V187 E194 I195 L198V146-T189 PolarHBondContact O-N 3.39Å; V146-T189 VanDerWaalsContact O-N 3.07Å; V187-T189 HydrophobicContact CG1-CG2 4.49Å; T189-E194 WeakPolarHBondContact CA-OE2 3.34Å; T189-E194 HydrophobicContact CG2-CB 4.16Å; T189-I195 HydrophobicContact CG2-CB 4.29Å; T189-I195 HydrophobicContact CG2-CG1 4.35Å; T189-L198 HydrophobicContact CG2-CD1 3.52Å
190I79Confident86.9Confident145 Ų14557.1 Ų57.174%0.74432%0.315SS*.SBendtrans-100.6-12.4-179.958.8165.9000113.7E194I190-E194 WeakPolarHBondContact CG1-OE1 3.35Å; I190-E194 WeakPolarHBondContact CG1-OE2 3.31Å; I190-E194 PolarHBondContact N-OE2 3.15Å
191N77.8Confident87Confident50 Ų5057.2 Ų57.227%0.26732%0.315SS..SBendtrans-149.1166.8179.161.365.6000113.6K193 E194N191-K193 VanDerWaalsContact C-N 3.28Å; N191-K193 PolarHBondContact O-N 2.97Å; N191-K193 WeakPolarHBondContact OD1-CA 3.42Å; N191-K193 WeakPolarHBondContact OD1-CB 3.36Å; N191-K193 PolarHBondContact OD1-N 3.02Å; N191-E194 VanDerWaalsContact ND2-CD 3.3Å; N191-E194 PolarHBondContact ND2-OE1 3.46Å; N191-E194 PolarHBondContact OD1-N 2.94Å
192A80.3Confident86.7Confident25 Ų2556.4 Ų56.421%0.20731%0.31CS..Hα-helixtrans-66.5-2317900000114.3F132 I195 M196F132-A192 HydrophobicContact CB-CB 4.09Å; F132-A192 HydrophobicContact CD2-CB 3.8Å; F132-A192 HydrophobicContact CG-CB 4.02Å; A192-I195 WeakPolarHBondContact O-CG2 3.33Å; A192-M196 WeakPolarHBondContact O-CB 3.47Å; A192-M196 PolarHBondContact O-N 3.49Å
193K84.7Confident86.4Confident157 Ų15756.2 Ų56.268%0.68330%0.304SS*.Hα-helixtrans-73.1-43.2-179-169.9178.9-179.1-179.80111.2N191 M196 Q197N191-K193 VanDerWaalsContact C-N 3.28Å; N191-K193 PolarHBondContact O-N 2.97Å; N191-K193 WeakPolarHBondContact OD1-CA 3.42Å; N191-K193 WeakPolarHBondContact OD1-CB 3.36Å; N191-K193 PolarHBondContact OD1-N 3.02Å; K193-M196 WeakPolarHBondContact O-CB 3.32Å; K193-M196 PolarHBondContact O-N 3.06Å; K193-Q197 WeakPolarHBondContact O-CG 3.44Å; K193-Q197 PolarHBondContact O-N 3.37Å
194E85.4Confident86Confident59 Ų5962.9 Ų62.928%0.27631%0.311SS..Hα-helixtrans-59.1-49.1173.6-75.5159.7-156.800111.8T189 I190 N191 M196 Q197 L198T189-E194 WeakPolarHBondContact CA-OE2 3.34Å; T189-E194 HydrophobicContact CG2-CB 4.16Å; I190-E194 WeakPolarHBondContact CG1-OE1 3.35Å; I190-E194 WeakPolarHBondContact CG1-OE2 3.31Å; I190-E194 PolarHBondContact N-OE2 3.15Å; N191-E194 VanDerWaalsContact ND2-CD 3.3Å; N191-E194 PolarHBondContact ND2-OE1 3.46Å; N191-E194 PolarHBondContact OD1-N 2.94Å; E194-M196 PolarHBondContact O-N 2.96Å; E194-Q197 PolarHBondContact O-N 3.44Å; E194-Q197 VanDerWaalsContact O-N 3.14Å; E194-L198 WeakPolarHBondContact O-CG 3.48Å; E194-L198 PolarHBondContact O-N 3.41Å
195I84Confident85.5Confident0 Ų064 Ų640%032%0.316CS..Hα-helixtrans-65.1-31.6-178.5-147.4158000111.5L128 F132 M148 T189 A192 L199L128-I195 HydrophobicContact CB-CG2 4.2Å; L128-I195 HydrophobicContact CD1-CG1 4.3Å; L128-I195 HydrophobicContact CD1-CG2 3.9Å; L128-I195 HydrophobicContact CD2-CD1 3.75Å; L128-I195 HydrophobicContact CD2-CG1 4.32Å; L128-I195 HydrophobicContact CD2-CG2 4.31Å; L128-I195 HydrophobicContact CG-CG2 4.36Å; F132-I195 HydrophobicContact CD2-CG2 4.38Å; F132-I195 HydrophobicContact CE2-CB 4.14Å; F132-I195 HydrophobicContact CE2-CD1 4Å; F132-I195 HydrophobicContact CE2-CG2 3.73Å; F132-I195 HydrophobicContact CZ-CD1 4.35Å; M148-I195 HydrophobicContact CB-CD1 3.87Å; M148-I195 HydrophobicContact CB-CG1 4.06Å; M148-I195 HydrophobicContact CE-CG1 4.23Å; M148-I195 HydrophobicContact CG-CD1 4.03Å; M148-I195 HydrophobicContact CG-CG1 3.9Å; M148-I195 HydrophobicContact SD-CD1 4.34Å; M148-I195 HydrophobicContact SD-CG1 3.55Å; M148-I195 VanDerWaalsContact SD-CG1 3.55Å; T189-I195 HydrophobicContact CG2-CB 4.29Å; T189-I195 HydrophobicContact CG2-CG1 4.35Å; A192-I195 WeakPolarHBondContact O-CG2 3.33Å; I195-L199 WeakPolarHBondContact O-CB 3.37Å; I195-L199 PolarHBondContact O-N 2.78Å
196M84Confident84.9Confident37 Ų3763 Ų6318%0.18231%0.308CS..Hα-helixtrans-68.2-42.4173.7-155.158.250.400112V125 A192 K193 E194 L199 M200V125-M196 HydrophobicContact CB-CE 4.3Å; V125-M196 HydrophobicContact CB-SD 4.44Å; V125-M196 HydrophobicContact CG1-CE 3.82Å; V125-M196 HydrophobicContact CG1-SD 4.14Å; V125-M196 HydrophobicContact CG2-CE 4.34Å; V125-M196 HydrophobicContact CG2-SD 3.86Å; A192-M196 WeakPolarHBondContact O-CB 3.47Å; A192-M196 PolarHBondContact O-N 3.49Å; K193-M196 WeakPolarHBondContact O-CB 3.32Å; K193-M196 PolarHBondContact O-N 3.06Å; E194-M196 PolarHBondContact O-N 2.96Å; M196-L199 PolarHBondContact O-N 3.4Å; M196-L199 HydrophobicContact SD-CD2 4.19Å; M196-M200 HydrophobicContact CG-CE 4.35Å; M196-M200 WeakPolarHBondContact O-CG 3.44Å; M196-M200 PolarHBondContact O-N 3.13Å
197Q87.1Confident83.6Confident109 Ų10959.7 Ų59.751%0.50929%0.294SS..Hα-helixtrans-63.1-41.1174.8-72.8174.1-25.500111.8K193 E194 M200 K201K193-Q197 WeakPolarHBondContact O-CG 3.44Å; K193-Q197 PolarHBondContact O-N 3.37Å; E194-Q197 PolarHBondContact O-N 3.44Å; E194-Q197 VanDerWaalsContact O-N 3.14Å; Q197-M200 HydrophobicContact CG-CE 4.27Å; Q197-M200 PolarHBondContact O-N 3.02Å; Q197-K201 VanDerWaalsContact O-CB 3.26Å; Q197-K201 WeakPolarHBondContact O-CB 3.29Å; Q197-K201 PolarHBondContact O-N 2.87Å
198L89.3Confident82Confident28 Ų2864.2 Ų64.215%0.14731%0.313CS..Hα-helixtrans-65-40.5174-67.7171.1000112.3M148 L162 V187 T189 E194 K201 G202M148-L198 HydrophobicContact CE-CB 4.09Å; M148-L198 HydrophobicContact SD-CB 3.45Å; M148-L198 WeakPolarHBondContact SD-CB 3.48Å; M148-L198 HydrophobicContact SD-CD1 3.8Å; M148-L198 HydrophobicContact SD-CG 4.28Å; L162-L198 HydrophobicContact CD2-CB 4.11Å; L162-L198 HydrophobicContact CD2-CD2 4.33Å; V187-L198 HydrophobicContact CB-CD1 3.96Å; V187-L198 HydrophobicContact CG1-CD1 3.7Å; V187-L198 HydrophobicContact CG1-CD2 4.43Å; V187-L198 HydrophobicContact CG2-CD1 4.5Å; V187-L198 HydrophobicContact CG2-CD2 4.49Å; T189-L198 HydrophobicContact CG2-CD1 3.52Å; E194-L198 WeakPolarHBondContact O-CG 3.48Å; E194-L198 PolarHBondContact O-N 3.41Å; L198-K201 PolarHBondContact O-N 3.08Å; L198-G202 PolarHBondContact O-N 3.12Å
199L87.8Confident80.1Confident2 Ų263.7 Ų63.71%0.0130%0.299CS..Hα-helixtrans-63.6-46.5175.5179.660.8000111.4Y124 V125 L128 M148 Y150 I195 M196 G202 N203 L224Y124-L199 HydrophobicContact CD2-CD1 4.13Å; Y124-L199 HydrophobicContact CD2-CD2 4.49Å; V125-L199 HydrophobicContact CG2-CD2 4.45Å; L128-L199 HydrophobicContact CD1-CD2 4.36Å; M148-L199 HydrophobicContact CE-CB 4.06Å; Y150-L199 HydrophobicContact CE1-CD1 4.13Å; I195-L199 WeakPolarHBondContact O-CB 3.37Å; I195-L199 PolarHBondContact O-N 2.78Å; M196-L199 PolarHBondContact O-N 3.4Å; M196-L199 HydrophobicContact SD-CD2 4.19Å; L199-G202 PolarHBondContact O-N 3.24Å; L199-N203 WeakPolarHBondContact CD1-ND2 3.35Å; L199-N203 PolarHBondContact O-N 3.35Å; L199-N203 PolarHBondContact O-ND2 2.97Å; L199-L224 HydrophobicContact CD1-CD2 4.26Å
200M84.6Confident78.2Confident86 Ų8669.8 Ų69.842%0.42434%0.339SS..Hα-helixtrans-62.7-44.1175.2-71.9-173.6-69.300111.8M196 Q197 G202 N203 R204M196-M200 HydrophobicContact CG-CE 4.35Å; M196-M200 WeakPolarHBondContact O-CG 3.44Å; M196-M200 PolarHBondContact O-N 3.13Å; Q197-M200 HydrophobicContact CG-CE 4.27Å; Q197-M200 PolarHBondContact O-N 3.02Å; M200-G202 PolarHBondContact O-N 2.98Å; M200-N203 PolarHBondContact O-N 3.42Å; M200-R204 WeakPolarHBondContact O-CG 3.43Å; M200-R204 PolarHBondContact O-N 3Å; M200-R204 VanDerWaalsContact O-N 3.17Å
201K87.2Confident76.5Confident87 Ų8764.1 Ų64.138%0.37831%0.311SS..Hα-helixtrans-55.9-49.8175.1-176-166.2-177.8-166.50111L162 Q197 L198 R204 Q205L162-K201 PolarHBondContact O-NZ 3.27Å; Q197-K201 VanDerWaalsContact O-CB 3.26Å; Q197-K201 WeakPolarHBondContact O-CB 3.29Å; Q197-K201 PolarHBondContact O-N 2.87Å; L198-K201 PolarHBondContact O-N 3.08Å; K201-R204 WeakPolarHBondContact O-CB 3.42Å; K201-R204 PolarHBondContact O-N 3.1Å; K201-Q205 WeakPolarHBondContact O-CG 3.31Å; K201-Q205 PolarHBondContact O-N 3.46Å
202G86.1Confident74.7Confident0 Ų067.2 Ų67.20%034%0.344CS..Hα-helixtrans-70.9-31.7-178.100000114.4L161 L198 L199 M200 R204 Q205 R206L161-G202 WeakPolarHBondContact O-CA 3.47Å; L198-G202 PolarHBondContact O-N 3.12Å; L199-G202 PolarHBondContact O-N 3.24Å; M200-G202 PolarHBondContact O-N 2.98Å; G202-R204 VanDerWaalsContact C-N 3.3Å; G202-R204 PolarHBondContact O-N 2.93Å; G202-Q205 CarbonylContact O-C 3.57Å; G202-Q205 PolarHBondContact O-N 3.19Å; G202-R206 PolarHBondContact O-N 2.84Å
203N82.8Confident72.8Confident28 Ų2869.8 Ų69.815%0.1537%0.365CS..Hα-helixtrans-64.2-33.8171.3-80.2-59.7000112.6Y150 L199 M200 Q205Y150-N203 PolarHBondContact OH-OD1 3.41Å; L199-N203 WeakPolarHBondContact CD1-ND2 3.35Å; L199-N203 PolarHBondContact O-N 3.35Å; L199-N203 PolarHBondContact O-ND2 2.97Å; M200-N203 PolarHBondContact O-N 3.42Å; N203-Q205 VanDerWaalsContact C-N 3.29Å
204R81.2Confident70.9Confident198 Ų19864.8 Ų64.875%0.74735%0.346SS*.Hα-helixtrans-70.1-23.9171.2-63.2170.2-171177.82.1112.9M200 K201 G202M200-R204 WeakPolarHBondContact O-CG 3.43Å; M200-R204 PolarHBondContact O-N 3Å; M200-R204 VanDerWaalsContact O-N 3.17Å; K201-R204 WeakPolarHBondContact O-CB 3.42Å; K201-R204 PolarHBondContact O-N 3.1Å; G202-R204 VanDerWaalsContact C-N 3.3Å; G202-R204 PolarHBondContact O-N 2.93Å
205Q81.2Confident69.3Low52 Ų5269.8 Ų69.824%0.24337%0.369CS..Hα-helixtrans-97.3-14.1-179-66.6-175.7-3.400114.2L161 K201 G202 N203 T207L161-Q205 PolarHBondContact O-OE1 3.1Å; K201-Q205 WeakPolarHBondContact O-CG 3.31Å; K201-Q205 PolarHBondContact O-N 3.46Å; G202-Q205 CarbonylContact O-C 3.57Å; G202-Q205 PolarHBondContact O-N 3.19Å; N203-Q205 VanDerWaalsContact C-N 3.29Å; Q205-T207 PolarHBondContact O-N 3.31Å
206R80.8Confident67.8Low15 Ų1570.9 Ų70.96%0.05738%0.376CS..SBendtrans-52.5136.5167.8-169.2179.4-178.2172.60.6108.2E152 L161 G202 Q208 S217 S220 D250E152-R206 WeakPolarHBondContact OE1-CG 3.41Å; L161-R206 HydrophobicContact CD1-CB 4.39Å; L161-R206 HydrophobicContact CD2-CB 4.47Å; G202-R206 PolarHBondContact O-N 2.84Å; R206-Q208 PolarHBondContact O-N 3.39Å; R206-Q208 VanDerWaalsContact O-N 3.13Å; R206-S217 PolarHBondContact NH2-O 3.06Å; R206-S217 VanDerWaalsContact NH2-O 3.11Å; R206-S220 PolarHBondContact NE-OG 3.47Å; R206-S220 PolarHBondContact NH2-O 3.44Å; R206-D250 IonicContact CZ-OD2 3.14Å; R206-D250 IonicContact NH1-OD2 2.85Å; R206-D250 PolarHBondContact NH1-OD2 3.35Å; R206-D250 IonicContact NH2-OD2 3.75Å; R206-D250 PolarHBondContact NH2-OD2 2.94Å
207T64.3Low66.7Low26 Ų2670.4 Ų70.416%0.1638%0.376CS..  trans-65.3119.1-167.7-62.30000110.6E152 R159 Q205 T216E152-T207 PolarHBondContact OE1-N 2.78Å; E152-T207 VanDerWaalsContact OE2-CB 3.26Å; E152-T207 WeakPolarHBondContact OE2-CB 3.5Å; E152-T207 PolarHBondContact OE2-N 2.88Å; E152-T207 PolarHBondContact OE2-OG1 3.14Å; R159-T207 PolarHBondContact NH1-OG1 3.38Å; Q205-T207 PolarHBondContact O-N 3.31Å; T207-T216 VanDerWaalsContact O-CB 3.32Å; T207-T216 WeakPolarHBondContact O-CB 3.45Å; T207-T216 WeakPolarHBondContact O-CG2 3.37Å
208Q57.9Low65.8Low137 Ų13765.6 Ų65.664%0.6435%0.354SS*.  trans-117.380.2179.4-71-178.149.200110.4R206 P210 T216R206-Q208 PolarHBondContact O-N 3.39Å; R206-Q208 VanDerWaalsContact O-N 3.13Å; Q208-P210 WeakPolarHBondContact O-CD 3.46Å; Q208-T216 WeakPolarHBondContact CA-OG1 3.42Å
209E50.6Low65.2Low90 Ų9065.3 Ų65.342%0.42135%0.351SS..  trans-74.1122.9167.1-79.4-169.7-153.600110.1T211 T216E209-T211 PolarHBondContact O-N 3.14Å; E209-T211 VanDerWaalsContact O-N 3.1Å; E209-T216 HydrophobicContact CB-CG2 4.44Å; E209-T216 PolarHBondContact O-OG1 2.99Å
210P45.6Very low65.1Low134 Ų13465.3 Ų65.387%0.8735%0.351SS*.  trans-73103.1174.529.4-33.1000109.8Q208Q208-P210 WeakPolarHBondContact O-CD 3.46Å
211T44Very low65.4Low26 Ų2661.4 Ų61.416%0.1633%0.332CS..  trans-128.9131.1170.662.60000110.3E209 A213 N214E209-T211 PolarHBondContact O-N 3.14Å; E209-T211 VanDerWaalsContact O-N 3.1Å; T211-A213 PolarHBondContact O-N 3.15Å; T211-N214 PolarHBondContact O-N 3.05Å
212A40.5Very low65.6Low116 Ų11657.2 Ų57.296%0.95931%0.314SS*.THydrogen-bonded Turntrans-69.931-166.500000115.9
213A40.5Very low66Low78 Ų7857.3 Ų57.365%0.64531%0.314SS*.THydrogen-bonded Turntrans-150.3-5.7-178.900000114.7T211T211-A213 PolarHBondContact O-N 3.15Å
214N44.7Very low66.5Low53 Ų5356 Ų5628%0.28331%0.307SS..  trans-158.1134.3-179.1-99.4-80.4000113.5T106 T211 S218T106-N214 WeakPolarHBondContact CG2-OD1 3.36Å; T211-N214 PolarHBondContact O-N 3.05Å; N214-S218 PolarHBondContact OD1-OG 3.04Å
215Q50.5Low67.2Low163 Ų16347.4 Ų47.476%0.76228%0.276SS*.  trans-69.6127.2166.9-164.9177.341.700109.1S217 S218Q215-S217 VanDerWaalsContact C-N 3.25Å; Q215-S217 PolarHBondContact O-N 2.87Å; Q215-S217 VanDerWaalsContact O-N 3.09Å; Q215-S218 WeakPolarHBondContact O-CB 3.38Å; Q215-S218 PolarHBondContact O-N 2.97Å; Q215-S218 VanDerWaalsContact O-N 3.07Å; Q215-S218 PolarHBondContact O-OG 3.37Å
216T52.4Low67.8Low24 Ų2445 Ų4515%0.14726%0.264CS..G310 helixtrans-69.8-16-158.4-27.30000115.2T207 Q208 E209 S218 R219T207-T216 VanDerWaalsContact O-CB 3.32Å; T207-T216 WeakPolarHBondContact O-CB 3.45Å; T207-T216 WeakPolarHBondContact O-CG2 3.37Å; Q208-T216 WeakPolarHBondContact CA-OG1 3.42Å; E209-T216 HydrophobicContact CB-CG2 4.44Å; E209-T216 PolarHBondContact O-OG1 2.99Å; T216-S218 PolarHBondContact O-N 3.43Å; T216-R219 PolarHBondContact O-N 2.94Å
217S62.7Low68.4Low27 Ų2744.5 Ų44.519%0.18926%0.264CS..G310 helixtrans-54.2-23.9168.652.30000113.7R206 Q215 R219R206-S217 PolarHBondContact NH2-O 3.06Å; R206-S217 VanDerWaalsContact NH2-O 3.11Å; Q215-S217 VanDerWaalsContact C-N 3.25Å; Q215-S217 PolarHBondContact O-N 2.87Å; Q215-S217 VanDerWaalsContact O-N 3.09Å; S217-R219 PolarHBondContact O-N 3.38Å
218S68Low69.8Low7 Ų743.3 Ų43.35%0.04926%0.257CS..G310 helixtrans-59.7-26.717353.90000114.7T106 N214 Q215 T216 A252 G253T106-S218 VanDerWaalsContact OG1-CB 3.28Å; T106-S218 WeakPolarHBondContact OG1-CB 3.22Å; N214-S218 PolarHBondContact OD1-OG 3.04Å; Q215-S218 WeakPolarHBondContact O-CB 3.38Å; Q215-S218 PolarHBondContact O-N 2.97Å; Q215-S218 VanDerWaalsContact O-N 3.07Å; Q215-S218 PolarHBondContact O-OG 3.37Å; T216-S218 PolarHBondContact O-N 3.43Å; S218-A252 CarbonylContact O-C 3.57Å; S218-A252 WeakPolarHBondContact O-CA 3.3Å; S218-A252 WeakPolarHBondContact O-CB 3.4Å; S218-G253 PolarHBondContact O-N 3.33Å
219R75.5Confident71.4Confident22 Ų2241 Ų418%0.08324%0.242CC..THydrogen-bonded Turntrans-112.7-6.5-163.8-57-158178.9-173.6-8.5115.5Y154 T216 S217 N262 E269 I273Y154-R219 HydrophobicContact CE2-CB 4.44Å; T216-R219 PolarHBondContact O-N 2.94Å; S217-R219 PolarHBondContact O-N 3.38Å; R219-N262 PolarHBondContact NH2-ND2 3.11Å; R219-N262 PolarHBondContact NH2-OD1 2.72Å; R219-N262 VanDerWaalsContact NH2-OD1 3.15Å; R219-E269 WeakPolarHBondContact CD-OE1 3.31Å; R219-E269 IonicContact CZ-OE1 3.86Å; R219-E269 IonicContact CZ-OE2 3.15Å; R219-E269 IonicContact NE-OE1 2.78Å; R219-E269 VanDerWaalsContact NH1-CD 3.26Å; R219-E269 IonicContact NH1-OE1 3.38Å; R219-E269 PolarHBondContact NH1-OE1 3.38Å; R219-E269 VanDerWaalsContact NH1-OE1 3.13Å; R219-E269 IonicContact NH1-OE2 2.71Å; R219-E269 PolarHBondContact NH1-OE2 2.83Å; R219-I273 HydrophobicContact CB-CD1 3.81Å; R219-I273 HydrophobicContact CG-CD1 4.26Å; R219-I273 WeakPolarHBondContact O-CD1 3.35Å; R219-I273 WeakPolarHBondContact O-CG1 3.46Å
220S86.5Confident73.3Confident2 Ų237.4 Ų37.41%0.01423%0.225CC..SBendtrans-126.5141.1178.473.50000111.9E152 R206E152-S220 WeakPolarHBondContact OE1-CB 3.39Å; E152-S220 PolarHBondContact OE1-OG 3.15Å; R206-S220 PolarHBondContact NE-OG 3.47Å; R206-S220 PolarHBondContact NH2-O 3.44Å
221H90.5Very high75.3Confident4 Ų434.3 Ų34.32%0.01920%0.196CC..EExtended strand (participates in β ladder)trans-84.3120.1171.4-47.3-83.6000108.7E152 I153 D250 L251 A252 S276E152-H221 CarbonylContact C-O 3.27Å; E152-H221 WeakPolarHBondContact CA-O 3.47Å; I153-H221 HydrophobicContact CB-CB 4.26Å; I153-H221 PolarHBondContact N-O 3.36Å; I153-H221 PolarHBondContact O-N 3Å; H221-D250 CarbonylContact C-O 3.59Å; H221-D250 WeakPolarHBondContact CA-O 3.23Å; H221-L251 HydrophobicContact CB-CD2 4.43Å; H221-L251 WeakPolarHBondContact ND1-CA 3.27Å; H221-L251 WeakPolarHBondContact ND1-CD2 3.46Å; H221-A252 PolarHBondContact ND1-N 3.22Å; H221-S276 PolarHBondContact NE2-OG 2.68Å
222A92.1Very high77.2Confident0 Ų034.5 Ų34.50%020%0.199CC..EExtended strand (participates in β ladder)trans-98.5126.7173.300000110.1Y150 I249 D250Y150-A222 HydrophobicContact CE2-CB 4.01Å; A222-I249 WeakPolarHBondContact O-CA 3.36Å; A222-D250 HydrophobicContact CB-CB 4.43Å; A222-D250 PolarHBondContact N-O 2.99Å; A222-D250 PolarHBondContact O-N 3.47Å
223V93.9Very high79.1Confident1 Ų134.2 Ų34.21%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-121.4109.7-177.5176.90000109.1Y150 L151 F247 I249 L306Y150-V223 WeakPolarHBondContact CD2-O 3.35Å; L151-V223 HydrophobicContact CD1-CB 3.76Å; L151-V223 HydrophobicContact CD1-CG2 4.06Å; L151-V223 HydrophobicContact CG-CB 3.93Å; L151-V223 HydrophobicContact CG-CG1 4.5Å; L151-V223 PolarHBondContact N-O 3.11Å; L151-V223 PolarHBondContact O-N 3.21Å; V223-F247 HydrophobicContact CG1-CD1 4.16Å; V223-I249 HydrophobicContact CB-CG1 4.33Å; V223-I249 HydrophobicContact CG1-CD1 4.29Å; V223-I249 HydrophobicContact CG1-CG1 4.01Å; V223-I249 HydrophobicContact CG2-CD1 4.28Å; V223-I249 HydrophobicContact CG2-CG1 4.04Å; V223-I249 HydrophobicContact CG2-CG2 4.01Å; V223-L306 HydrophobicContact CB-CD2 4.48Å; V223-L306 HydrophobicContact CG1-CD2 4.05Å; V223-L306 HydrophobicContact CG2-CD2 4.17Å
224L94.1Very high80.5Confident0 Ų034.1 Ų34.10%016%0.164CC..EExtended strand (participates in β ladder)trans-91.7123170.1174.256.5000109.1Y124 L128 M148 Y150 L199 V226 F247 M248Y124-L224 HydrophobicContact CD1-CB 4.5Å; Y124-L224 HydrophobicContact CD1-CD2 3.72Å; Y124-L224 HydrophobicContact CE1-CB 4.05Å; Y124-L224 HydrophobicContact CE1-CD2 4.1Å; Y124-L224 HydrophobicContact CG-CD2 4.11Å; L128-L224 HydrophobicContact CD1-CD2 4.36Å; M148-L224 HydrophobicContact CE-CD1 3.39Å; M148-L224 HydrophobicContact CG-CD1 3.8Å; M148-L224 HydrophobicContact SD-CD1 4.44Å; Y150-L224 HydrophobicContact CD2-CB 3.82Å; Y150-L224 HydrophobicContact CD2-CD1 4.29Å; Y150-L224 HydrophobicContact CE2-CB 4.03Å; Y150-L224 HydrophobicContact CG-CD1 4.45Å; L199-L224 HydrophobicContact CD1-CD2 4.26Å; L224-V226 HydrophobicContact CD1-CG2 4.46Å; L224-V226 HydrophobicContact CG-CG2 4.46Å; L224-F247 CarbonylContact O-C 3.5Å; L224-F247 WeakPolarHBondContact O-CA 3.27Å; L224-M248 HydrophobicContact CB-CB 4.43Å; L224-M248 HydrophobicContact CD2-CE 3.68Å; L224-M248 HydrophobicContact CG-CE 4.11Å; L224-M248 PolarHBondContact N-O 3.04Å; L224-M248 PolarHBondContact O-N 3.11Å
225Q94.2Very high81.4Confident19 Ų1941 Ų419%0.08919%0.192CC..EExtended strand (participates in β ladder)trans-111.7131.5173.6179-171.6-65.900109.2M148 S149 E186 L246 F247M148-Q225 WeakPolarHBondContact CA-O 3.49Å; S149-Q225 PolarHBondContact N-O 3.04Å; S149-Q225 PolarHBondContact O-N 3.41Å; E186-Q225 PolarHBondContact OE1-NE2 3.49Å; Q225-L246 CarbonylContact C-O 3.58Å; Q225-L246 WeakPolarHBondContact CA-O 3.32Å; Q225-F247 HydrophobicContact CB-CD1 4.08Å; Q225-F247 HydrophobicContact CB-CE1 3.99Å; Q225-F247 HydrophobicContact CG-CD1 4.16Å; Q225-F247 HydrophobicContact CG-CE1 3.7Å; Q225-F247 HydrophobicContact CG-CZ 4.08Å; Q225-F247 VanDerWaalsContact OE1-CE1 3.24Å
226V94Very high81.6Confident0 Ų038.8 Ų38.80%019%0.185CC..EExtended strand (participates in β ladder)trans-123.8120169.6-174.20000108L128 L131 V146 S147 L224 V228 R245 L246 M248L128-V226 HydrophobicContact CD2-CG2 3.78Å; L131-V226 HydrophobicContact CD1-CG1 4.28Å; V146-V226 HydrophobicContact CG1-CG1 3.84Å; S147-V226 CarbonylContact O-C 3.59Å; S147-V226 WeakPolarHBondContact O-CA 3.42Å; L224-V226 HydrophobicContact CD1-CG2 4.46Å; L224-V226 HydrophobicContact CG-CG2 4.46Å; V226-V228 HydrophobicContact CG1-CG2 4.31Å; V226-R245 WeakPolarHBondContact O-CA 3.45Å; V226-L246 HydrophobicContact CB-CB 4.37Å; V226-L246 PolarHBondContact N-O 3.43Å; V226-L246 PolarHBondContact O-N 2.96Å; V226-M248 HydrophobicContact CG2-CE 4.25Å
227A93.3Very high81.5Confident6 Ų643.2 Ų43.25%0.0521%0.206CC..EExtended strand (participates in β ladder)trans-100.7131.9171.600000109.5V146 S147 G244 R245V146-A227 WeakPolarHBondContact CA-O 3.44Å; S147-A227 PolarHBondContact N-O 3.23Å; S147-A227 PolarHBondContact O-N 3.42Å; A227-G244 WeakPolarHBondContact CA-O 3.4Å; A227-R245 HydrophobicContact CB-CG 4.35Å
228V94Very high81.1Confident1 Ų148.6 Ų48.61%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-119.8119.5176.6-178.70000108.2V92 I93 L131 I135 Y144 V146 V226 Q243 G244V92-V228 HydrophobicContact CG1-CB 4.26Å; V92-V228 HydrophobicContact CG1-CG2 3.91Å; I93-V228 HydrophobicContact CG2-CG1 4.48Å; L131-V228 HydrophobicContact CD1-CG2 4.01Å; L131-V228 HydrophobicContact CD2-CG2 4.25Å; L131-V228 HydrophobicContact CG-CG2 4.46Å; I135-V228 HydrophobicContact CD1-CG1 4.06Å; Y144-V228 HydrophobicContact CD1-CG1 3.79Å; Y144-V228 HydrophobicContact CE1-CG1 4.38Å; V146-V228 HydrophobicContact CG2-CG2 4.41Å; V226-V228 HydrophobicContact CG1-CG2 4.31Å; V228-Q243 CarbonylContact O-C 3.51Å; V228-Q243 WeakPolarHBondContact O-CA 3.4Å; V228-G244 PolarHBondContact N-O 2.84Å; V228-G244 PolarHBondContact O-N 3.36Å
229R92.4Very high80.8Confident87 Ų8751.9 Ų51.933%0.32825%0.247SC..EExtended strand (participates in β ladder)trans-111.1112.7177.7-178.5-179.6-178.4-134.33.8109.2Y144 E145 V241 R242Y144-R229 CarbonylContact C-O 3.48Å; Y144-R229 WeakPolarHBondContact CA-O 3.4Å; E145-R229 HydrophobicContact CB-CB 4.29Å; E145-R229 PolarHBondContact N-O 3.4Å; E145-R229 PolarHBondContact O-N 3.16Å; E145-R229 IonicContact OE1-NH1 2.72Å; E145-R229 WeakPolarHBondContact OE2-CD 3.46Å; E145-R229 IonicContact OE2-CZ 3.98Å; E145-R229 IonicContact OE2-NE 3.39Å; E145-R229 IonicContact OE2-NH1 3.2Å; E145-R229 PolarHBondContact OE2-NH1 3.03Å; R229-V241 HydrophobicContact CG-CG1 3.65Å; R229-R242 CarbonylContact C-O 3.53Å; R229-R242 WeakPolarHBondContact CA-O 3.37Å
230Q90.5Very high80.7Confident15 Ų1554.5 Ų54.57%0.0726%0.26CS..EExtended strand (participates in β ladder)trans-100.6135.2180178.1-168.252.800109.6I93 M142 E143 Y144 V241 R242I93-Q230 PolarHBondContact O-OE1 3.17Å; M142-Q230 HydrophobicContact CB-CG 4.15Å; M142-Q230 HydrophobicContact CG-CG 4.21Å; M142-Q230 HydrophobicContact SD-CG 3.96Å; E143-Q230 CarbonylContact O-C 3.57Å; E143-Q230 WeakPolarHBondContact O-CA 3.45Å; Y144-Q230 HydrophobicContact CD1-CB 3.94Å; Y144-Q230 HydrophobicContact CD1-CG 4.24Å; Y144-Q230 HydrophobicContact CE1-CB 3.67Å; Y144-Q230 HydrophobicContact CE1-CG 3.63Å; Y144-Q230 PolarHBondContact OH-NE2 3.27Å; Q230-V241 CarbonylContact O-C 3.49Å; Q230-V241 WeakPolarHBondContact O-CA 3.44Å; Q230-R242 HydrophobicContact CB-CB 4.2Å; Q230-R242 PolarHBondContact N-O 3.41Å; Q230-R242 PolarHBondContact O-N 2.96Å
231R88Confident80.6Confident69 Ų6954.5 Ų54.526%0.2626%0.26SS..EExtended strand (participates in β ladder)trans-133.5144.4169.368.2-176.7178.6-124.4-3110.3E143 E145 V241E143-R231 HydrophobicContact CB-CG 3.64Å; E143-R231 PolarHBondContact N-O 3.44Å; E143-R231 PolarHBondContact O-N 2.92Å; E143-R231 IonicContact OE2-CZ 2.7Å; E143-R231 IonicContact OE2-NE 3.77Å; E143-R231 PolarHBondContact OE2-NE 2.73Å; E143-R231 IonicContact OE2-NH2 2.77Å; E143-R231 PolarHBondContact OE2-NH2 2.88Å; E145-R231 IonicContact OE1-CZ 3.68Å; E145-R231 IonicContact OE1-NH1 2.83Å; E145-R231 PolarHBondContact OE1-NH1 3.03Å; E145-R231 IonicContact OE2-NH1 3.15Å; R231-V241 HydrophobicContact CB-CG2 4.15Å
232S83.7Confident80.6Confident31 Ų3157.7 Ų57.722%0.21727%0.272CS..EExtended strand (participates in β ladder)trans-65.6137.1173.4-179.70000111.3V234 Q239S232-V234 PolarHBondContact OG-N 2.98Å; S232-V234 VanDerWaalsContact OG-N 3.12Å; S232-V234 PolarHBondContact OG-O 3.11Å; S232-Q239 PolarHBondContact O-NE2 3.41Å
233R79.5Confident80.5Confident109 Ų10960.1 Ų60.141%0.41128%0.284SS..SBendtrans-74.1-28.5167.5-65.7-169.2-173.2-101.518.6112.5S139 N140 D141 M142 E143 K235S139-R233 VanDerWaalsContact O-CZ 3.24Å; S139-R233 PolarHBondContact O-NE 3.23Å; S139-R233 PolarHBondContact O-NH2 3.1Å; N140-R233 WeakPolarHBondContact O-CD 3.46Å; D141-R233 WeakPolarHBondContact O-CB 3.44Å; D141-R233 WeakPolarHBondContact O-CG 3.32Å; D141-R233 PolarHBondContact O-N 2.97Å; M142-R233 PolarHBondContact O-NE 3.37Å; E143-R233 HydrophobicContact CB-CG 4.45Å; E143-R233 HydrophobicContact CG-CG 3.77Å; E143-R233 VanDerWaalsContact CG-CZ 3.48Å; E143-R233 IonicContact OE1-CZ 3.61Å; E143-R233 IonicContact OE1-NH1 3.22Å; E143-R233 PolarHBondContact OE1-NH1 3.48Å; R233-K235 PolarHBondContact O-N 3.03Å; R233-K235 VanDerWaalsContact O-N 3.07Å
234V71.1Confident80.5Confident77 Ų7760.1 Ų60.147%0.46728%0.283SS..SBendtrans-71.2104.6178.7-172.40000108.5S232 N236S232-V234 PolarHBondContact OG-N 2.98Å; S232-V234 VanDerWaalsContact OG-N 3.12Å; S232-V234 PolarHBondContact OG-O 3.11Å; V234-N236 PolarHBondContact O-N 3.4Å
235K63.3Low80.4Confident198 Ų19862.2 Ų62.286%0.86129%0.291SS*.  trans-7358.5-177.1-65.4-177.2179.5177.30113R233R233-K235 PolarHBondContact O-N 3.03Å; R233-K235 VanDerWaalsContact O-N 3.07Å
236N53.4Low80.5Confident116 Ų11661.4 Ų61.462%0.6229%0.287SS*.  trans-79.1164168.6-71.4-22.2000110.7V234 L238V234-N236 PolarHBondContact O-N 3.4Å; N236-L238 PolarHBondContact O-N 3.43Å
237I50.9Low80.5Confident116 Ų11662.5 Ų62.560%0.59529%0.292SS*.SBendtrans-59.5-18.4-171.6-59.5171.6000113.5I361I237-I361 HydrophobicContact CG2-CB 4.12Å; I237-I361 HydrophobicContact CG2-CG2 4.22Å
238L54.2Low80.7Confident141 Ų14162.2 Ų62.274%0.73829%0.29SS*.  trans-115.995.8175.2-63.7173.2000109.9N236 E240N236-L238 PolarHBondContact O-N 3.43Å; L238-E240 PolarHBondContact O-N 3.29Å
239Q61.6Low80.7Confident76 Ų7662.2 Ų62.236%0.35529%0.29SS..  trans-86.984.8169.9-163.1173.636.900109.8S232 V241S232-Q239 PolarHBondContact O-NE2 3.41Å; Q239-V241 PolarHBondContact O-N 2.97Å
240E73.3Confident80.8Confident76 Ų7658.1 Ų58.136%0.35527%0.274SS..EExtended strand (participates in β ladder)trans-58.9128.9166.8-69.7-175.2-176.200110.1L238 R242 L354L238-E240 PolarHBondContact O-N 3.29Å; E240-R242 IonicContact OE2-CZ 2.77Å; E240-R242 IonicContact OE2-NE 2.82Å; E240-R242 PolarHBondContact OE2-NE 3.13Å; E240-R242 IonicContact OE2-NH2 3.99Å; E240-R242 PolarHBondContact OE2-NH2 3.35Å; E240-L354 HydrophobicContact CB-CD2 4.43Å
241V85Confident80.9Confident3 Ų357.4 Ų57.42%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-112.6119.2171.5178.20000108.4R229 Q230 R231 Q239 L355 V357R229-V241 HydrophobicContact CG-CG1 3.65Å; Q230-V241 CarbonylContact O-C 3.49Å; Q230-V241 WeakPolarHBondContact O-CA 3.44Å; R231-V241 HydrophobicContact CB-CG2 4.15Å; Q239-V241 PolarHBondContact O-N 2.97Å; V241-L355 HydrophobicContact CB-CB 4.16Å; V241-L355 HydrophobicContact CG1-CB 4.4Å; V241-L355 HydrophobicContact CG1-CD1 4.46Å; V241-L355 PolarHBondContact N-O 3.4Å; V241-L355 WeakPolarHBondContact O-CA 3.18Å; V241-L355 WeakPolarHBondContact O-CB 3.49Å; V241-L355 PolarHBondContact O-N 3.41Å; V241-V357 HydrophobicContact CB-CG2 4.36Å; V241-V357 HydrophobicContact CG2-CG2 3.89Å
242R89.5Confident81Confident70 Ų7054.1 Ų54.126%0.26426%0.259SS..EExtended strand (participates in β ladder)trans-100.4137.2-177.4-72.5155.7-174.5-156.11.2108.9R229 Q230 E240 N353 L354R229-R242 CarbonylContact C-O 3.53Å; R229-R242 WeakPolarHBondContact CA-O 3.37Å; Q230-R242 HydrophobicContact CB-CB 4.2Å; Q230-R242 PolarHBondContact N-O 3.41Å; Q230-R242 PolarHBondContact O-N 2.96Å; E240-R242 IonicContact OE2-CZ 2.77Å; E240-R242 IonicContact OE2-NE 2.82Å; E240-R242 PolarHBondContact OE2-NE 3.13Å; E240-R242 IonicContact OE2-NH2 3.99Å; E240-R242 PolarHBondContact OE2-NH2 3.35Å; R242-N353 WeakPolarHBondContact CA-O 3.39Å; R242-L354 HydrophobicContact CG-CD2 3.55Å
243Q91.3Very high81.1Confident52 Ų5252.7 Ų52.724%0.24325%0.249CC..EExtended strand (participates in β ladder)trans-130104.2-179.4-171.1178.817.800112.7V228 N353 L355V228-Q243 CarbonylContact O-C 3.51Å; V228-Q243 WeakPolarHBondContact O-CA 3.4Å; Q243-N353 PolarHBondContact N-O 3.11Å; Q243-N353 VanDerWaalsContact N-O 3.09Å; Q243-N353 VanDerWaalsContact O-CB 3.27Å; Q243-N353 WeakPolarHBondContact O-CB 3.33Å; Q243-N353 PolarHBondContact O-ND2 3.18Å; Q243-L355 HydrophobicContact CB-CD1 4.23Å
244G92.7Very high81.6Confident0 Ų048.2 Ų48.20%023%0.234CC..EExtended strand (participates in β ladder)trans-85.7149.8170.400000111.5V92 Y96 A227 V228V92-G244 WeakPolarHBondContact O-CA 3.44Å; Y96-G244 VanDerWaalsContact O-CA 3.29Å; Y96-G244 WeakPolarHBondContact O-CA 3.33Å; A227-G244 WeakPolarHBondContact CA-O 3.4Å; V228-G244 PolarHBondContact N-O 2.84Å; V228-G244 PolarHBondContact O-N 3.36Å
245R93.4Very high82.1Confident45 Ų4546.2 Ų46.217%0.1722%0.22CC..EExtended strand (participates in β ladder)trans-131.4121.1166.8-66.9-178.4170.8-177.9-7.5109.3N97 A98 V226 A227 F247N97-R245 CarbonylContact C-O 3.54Å; N97-R245 VanDerWaalsContact CA-O 3.28Å; N97-R245 WeakPolarHBondContact CA-O 3.5Å; N97-R245 PolarHBondContact OD1-N 3.44Å; A98-R245 PolarHBondContact N-O 3.25Å; V226-R245 WeakPolarHBondContact O-CA 3.45Å; A227-R245 HydrophobicContact CB-CG 4.35Å; R245-F247 HydrophobicContact CB-CE2 3.88Å
246L95.2Very high82.8Confident1 Ų142.2 Ų42.21%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-102.9121.3173.6173.560.4000109V92 A98 T127 L131 Q225 V226 M248V92-L246 HydrophobicContact CG1-CB 4.08Å; V92-L246 HydrophobicContact CG2-CB 3.92Å; V92-L246 HydrophobicContact CG2-CD1 4.41Å; A98-L246 HydrophobicContact CB-CD1 3.96Å; A98-L246 WeakPolarHBondContact O-CA 3.41Å; T127-L246 HydrophobicContact CG2-CD2 3.67Å; L131-L246 HydrophobicContact CD1-CD2 4.27Å; Q225-L246 CarbonylContact C-O 3.58Å; Q225-L246 WeakPolarHBondContact CA-O 3.32Å; V226-L246 HydrophobicContact CB-CB 4.37Å; V226-L246 PolarHBondContact N-O 3.43Å; V226-L246 PolarHBondContact O-N 2.96Å; L246-M248 HydrophobicContact CD1-CG 3.99Å; L246-M248 HydrophobicContact CD2-CE 3.76Å; L246-M248 HydrophobicContact CD2-CG 4.32Å; L246-M248 HydrophobicContact CD2-SD 4.02Å; L246-M248 HydrophobicContact CG-CE 4.17Å; L246-M248 HydrophobicContact CG-CG 3.97Å; L246-M248 HydrophobicContact CG-SD 4.33Å
247F95.4Very high83.7Confident24 Ų2438.8 Ų38.811%0.10519%0.188CC..EExtended strand (participates in β ladder)trans-106.5129.7170.7-66.3-88.2000109.6A98 T99 V100 V223 L224 Q225 R245 I249A98-F247 PolarHBondContact O-N 3.19Å; T99-F247 CarbonylContact C-O 3.58Å; T99-F247 WeakPolarHBondContact CA-O 3.37Å; T99-F247 HydrophobicContact CG2-CB 4.06Å; V100-F247 PolarHBondContact N-O 3.04Å; V223-F247 HydrophobicContact CG1-CD1 4.16Å; L224-F247 CarbonylContact O-C 3.5Å; L224-F247 WeakPolarHBondContact O-CA 3.27Å; Q225-F247 HydrophobicContact CB-CD1 4.08Å; Q225-F247 HydrophobicContact CB-CE1 3.99Å; Q225-F247 HydrophobicContact CG-CD1 4.16Å; Q225-F247 HydrophobicContact CG-CE1 3.7Å; Q225-F247 HydrophobicContact CG-CZ 4.08Å; Q225-F247 VanDerWaalsContact OE1-CE1 3.24Å; R245-F247 HydrophobicContact CB-CE2 3.88Å; F247-I249 HydrophobicContact CB-CD1 4.34Å
248M95.8Very high84.6Confident0 Ų038 Ų380%019%0.193CC..EExtended strand (participates in β ladder)trans-128.6117.8177-63.8-178.4-79.800109.3V100 M114 I123 Y124 T127 L128 L224 V226 L246V100-M248 HydrophobicContact CB-CG 4.45Å; V100-M248 CarbonylContact O-C 3.58Å; V100-M248 WeakPolarHBondContact O-CA 3.15Å; M114-M248 HydrophobicContact CE-CB 3.9Å; I123-M248 HydrophobicContact CG2-SD 4.16Å; Y124-M248 HydrophobicContact CD1-CB 3.74Å; Y124-M248 HydrophobicContact CD1-CE 4.45Å; Y124-M248 HydrophobicContact CD1-SD 4.16Å; Y124-M248 HydrophobicContact CE1-CB 3.56Å; T127-M248 HydrophobicContact CG2-SD 3.98Å; L128-M248 HydrophobicContact CD2-CE 4.36Å; L128-M248 HydrophobicContact CG-CE 4.38Å; L224-M248 HydrophobicContact CB-CB 4.43Å; L224-M248 HydrophobicContact CD2-CE 3.68Å; L224-M248 HydrophobicContact CG-CE 4.11Å; L224-M248 PolarHBondContact N-O 3.04Å; L224-M248 PolarHBondContact O-N 3.11Å; V226-M248 HydrophobicContact CG2-CE 4.25Å; L246-M248 HydrophobicContact CD1-CG 3.99Å; L246-M248 HydrophobicContact CD2-CE 3.76Å; L246-M248 HydrophobicContact CD2-CG 4.32Å; L246-M248 HydrophobicContact CD2-SD 4.02Å; L246-M248 HydrophobicContact CG-CE 4.17Å; L246-M248 HydrophobicContact CG-CG 3.97Å; L246-M248 HydrophobicContact CG-SD 4.33Å
249I95.4Very high85.1Confident1 Ų136.3 Ų36.31%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-128.3124.9-159.8-56.8175.2000111.6T99 V100 F101 A102 A222 V223 F247 L251 L307T99-I249 HydrophobicContact CG2-CD1 4.18Å; V100-I249 PolarHBondContact O-N 3.44Å; F101-I249 WeakPolarHBondContact CA-O 3.46Å; F101-I249 HydrophobicContact CB-CB 3.9Å; F101-I249 HydrophobicContact CB-CG2 4.37Å; A102-I249 PolarHBondContact N-O 2.9Å; A222-I249 WeakPolarHBondContact O-CA 3.36Å; V223-I249 HydrophobicContact CB-CG1 4.33Å; V223-I249 HydrophobicContact CG1-CD1 4.29Å; V223-I249 HydrophobicContact CG1-CG1 4.01Å; V223-I249 HydrophobicContact CG2-CD1 4.28Å; V223-I249 HydrophobicContact CG2-CG1 4.04Å; V223-I249 HydrophobicContact CG2-CG2 4.01Å; F247-I249 HydrophobicContact CB-CD1 4.34Å; I249-L251 HydrophobicContact CG2-CD2 3.53Å; I249-L251 HydrophobicContact CG2-CG 4.03Å; I249-L307 HydrophobicContact CD1-CD2 3.58Å; I249-L307 HydrophobicContact CD1-CG 4.42Å
250D93.8Very high85.4Confident0 Ų034.7 Ų34.70%018%0.176CC..EExtended strand (participates in β ladder)trans-101.2101.6168.6-177.244.2000107.7K110 T111 M114 R206 H221 A222K110-D250 WeakPolarHBondContact CB-OD1 3.34Å; T111-D250 WeakPolarHBondContact CA-OD1 3.09Å; T111-D250 PolarHBondContact N-OD1 3.05Å; T111-D250 PolarHBondContact OG1-OD1 2.88Å; T111-D250 PolarHBondContact OG1-OD2 2.82Å; M114-D250 HydrophobicContact CB-CB 4.24Å; M114-D250 HydrophobicContact CG-CB 4.11Å; R206-D250 IonicContact CZ-OD2 3.14Å; R206-D250 IonicContact NH1-OD2 2.85Å; R206-D250 PolarHBondContact NH1-OD2 3.35Å; R206-D250 IonicContact NH2-OD2 3.75Å; R206-D250 PolarHBondContact NH2-OD2 2.94Å; H221-D250 CarbonylContact C-O 3.59Å; H221-D250 WeakPolarHBondContact CA-O 3.23Å; A222-D250 HydrophobicContact CB-CB 4.43Å; A222-D250 PolarHBondContact N-O 2.99Å; A222-D250 PolarHBondContact O-N 3.47Å
251L92.9Very high85.1Confident0 Ų039.1 Ų39.10%020%0.197CC..PPolyproline II helixtrans-75.2160.2-179.7-61.5175.7000111.3F101 A102 Y103 K110 H221 I249 L277 L280 L303F101-L251 HydrophobicContact CD2-CD1 3.82Å; A102-L251 VanDerWaalsContact O-CB 3.29Å; A102-L251 WeakPolarHBondContact O-CB 3.34Å; A102-L251 WeakPolarHBondContact O-CG 2.99Å; A102-L251 PolarHBondContact O-N 2.92Å; Y103-L251 HydrophobicContact CD2-CD1 4Å; K110-L251 WeakPolarHBondContact CE-O 3.35Å; H221-L251 HydrophobicContact CB-CD2 4.43Å; H221-L251 WeakPolarHBondContact ND1-CA 3.27Å; H221-L251 WeakPolarHBondContact ND1-CD2 3.46Å; I249-L251 HydrophobicContact CG2-CD2 3.53Å; I249-L251 HydrophobicContact CG2-CG 4.03Å; L251-L277 HydrophobicContact CD1-CD2 4.42Å; L251-L280 HydrophobicContact CD1-CD2 3.85Å; L251-L303 HydrophobicContact CD2-CD1 3.89Å; L251-L303 HydrophobicContact CD2-CD2 3.9Å
252A89.5Confident84.3Confident0 Ų040.4 Ų40.40%020%0.203CC..PPolyproline II helixtrans-64.8169.9168.600000112.8K110 S218 H221 I273K110-A252 WeakPolarHBondContact CE-O 3.39Å; S218-A252 CarbonylContact O-C 3.57Å; S218-A252 WeakPolarHBondContact O-CA 3.3Å; S218-A252 WeakPolarHBondContact O-CB 3.4Å; H221-A252 PolarHBondContact ND1-N 3.22Å; A252-I273 HydrophobicContact CB-CG2 3.72Å
253G87.1Confident83.6Confident2 Ų247 Ų472%0.02123%0.228CC..PPolyproline II helixtrans-58.7131.3174.700000114.2T106 S218 E255 L277T106-G253 WeakPolarHBondContact OG1-CA 3.45Å; S218-G253 PolarHBondContact O-N 3.33Å; G253-E255 WeakPolarHBondContact CA-OE2 3.43Å; G253-L277 WeakPolarHBondContact O-CD1 3.49Å
254S88Confident83.1Confident14 Ų1447 Ų4710%0.09824%0.242CC..  trans-91.54.9176.7720000114.7Y103 G104Y103-S254 WeakPolarHBondContact OH-CB 3.36Å; G104-S254 PolarHBondContact O-N 2.89Å; G104-S254 PolarHBondContact O-OG 3.4Å
255E82Confident82.3Confident35 Ų3552.8 Ų52.816%0.16427%0.269CS..SBendtrans-64.8150.9174.761.7-81.7-173.200112.9P105 T106 G253P105-E255 VanDerWaalsContact CA-OE2 3.28Å; P105-E255 WeakPolarHBondContact CA-OE2 3.44Å; T106-E255 WeakPolarHBondContact CB-OE1 3.14Å; T106-E255 PolarHBondContact N-OE2 2.77Å; T106-E255 PolarHBondContact OG1-OE1 3.46Å; T106-E255 PolarHBondContact OG1-OE2 3.47Å; G253-E255 WeakPolarHBondContact CA-OE2 3.43Å
256R77.9Confident81.3Confident114 Ų11455.9 Ų55.943%0.4328%0.281SS..  trans-76.9131.6-176.3-63.8175.5-168.8-166.85.6110.9S258 Q259 E332 N335R256-S258 PolarHBondContact O-N 3.06Å; R256-Q259 WeakPolarHBondContact O-CB 3.4Å; R256-Q259 PolarHBondContact O-N 3.48Å; R256-E332 WeakPolarHBondContact CG-OE1 3.23Å; R256-E332 IonicContact NE-OE1 3.28Å; R256-N335 PolarHBondContact NE-ND2 2.97Å; R256-N335 PolarHBondContact NH2-ND2 2.92Å; R256-N335 PolarHBondContact NH2-OD1 3.34Å
257A72.8Confident80.5Confident45 Ų4561.5 Ų61.537%0.37231%0.308SS..G310 helixtrans-52.1-22.7175.600000114.7Q259 T260A257-Q259 VanDerWaalsContact C-N 3.29Å; A257-Q259 PolarHBondContact O-N 3.3Å; A257-T260 PolarHBondContact O-N 3.35Å; A257-T260 VanDerWaalsContact O-N 3.13Å; A257-T260 VanDerWaalsContact O-O 3.05Å; A257-T260 PolarHBondContact O-OG1 2.97Å
258S69.3Low79.8Confident100 Ų10066.4 Ų66.470%0.69933%0.33SS*.G310 helixtrans-67-21.717454.60000114.7R256R256-S258 PolarHBondContact O-N 3.06Å
259Q66Low79Confident104 Ų10466.7 Ų66.749%0.48633%0.331SS..G310 helixtrans-78.2-24.4171.6-70.4149.3300111.3R256 A257 E332R256-Q259 WeakPolarHBondContact O-CB 3.4Å; R256-Q259 PolarHBondContact O-N 3.48Å; A257-Q259 VanDerWaalsContact C-N 3.29Å; A257-Q259 PolarHBondContact O-N 3.3Å; Q259-E332 PolarHBondContact NE2-OE1 3.5Å
260T66.3Low78.2Confident42 Ų4267 Ų6726%0.25834%0.335SS..SBendtrans-89.8126.6-179.670.90000111.5A257 N262A257-T260 PolarHBondContact O-N 3.35Å; A257-T260 VanDerWaalsContact O-N 3.13Å; A257-T260 VanDerWaalsContact O-O 3.05Å; A257-T260 PolarHBondContact O-OG1 2.97Å; T260-N262 WeakPolarHBondContact CB-ND2 3.3Å; T260-N262 PolarHBondContact O-N 2.98Å; T260-N262 PolarHBondContact OG1-ND2 3.07Å
261Q67.4Low77.6Confident170 Ų17069.7 Ų69.779%0.79436%0.357SS*.  trans-74.937.3172.5-64.4-64.9-23.800112.6R263Q261-R263 PolarHBondContact O-N 3.43Å
262N69.1Low77.3Confident29 Ų2972.8 Ų72.816%0.15537%0.371CS..  trans-76.3114.8-175.4-82.5-31.7000111R219 T260 R266R219-N262 PolarHBondContact NH2-ND2 3.11Å; R219-N262 PolarHBondContact NH2-OD1 2.72Å; R219-N262 VanDerWaalsContact NH2-OD1 3.15Å; T260-N262 WeakPolarHBondContact CB-ND2 3.3Å; T260-N262 PolarHBondContact O-N 2.98Å; T260-N262 PolarHBondContact OG1-ND2 3.07Å; N262-R266 HydrophobicContact CB-CB 3.79Å; N262-R266 WeakPolarHBondContact OD1-CB 3.48Å
263R74.6Confident76.9Confident210 Ų21073.5 Ų73.579%0.79238%0.375SS*.  trans-109.7163.9173.8-64.5-174.2179.5-170.80.5111.7Q261 Q265 R266Q261-R263 PolarHBondContact O-N 3.43Å; R263-Q265 PolarHBondContact O-N 3.31Å; R263-R266 PolarHBondContact O-N 3.04Å
264G80Confident76.8Confident51 Ų5175.9 Ų75.953%0.52639%0.387SS..THydrogen-bonded Turntrans61.4-128.5173.800000113R266 M267G264-R266 VanDerWaalsContact C-N 3.29Å; G264-R266 PolarHBondContact O-N 3.19Å; G264-M267 WeakPolarHBondContact O-CB 3.34Å; G264-M267 PolarHBondContact O-N 3.2Å; G264-M267 VanDerWaalsContact O-N 3.14Å
265Q75.7Confident76.8Confident122 Ų12281.5 Ų81.557%0.5741%0.406SS*.Hα-helixtrans-60.8-37.5-179.3-172.364.72.600112.5R263 M267 K268 E269R263-Q265 PolarHBondContact O-N 3.31Å; Q265-M267 PolarHBondContact O-N 3.09Å; Q265-K268 WeakPolarHBondContact O-CB 3.4Å; Q265-K268 PolarHBondContact O-N 3.31Å; Q265-E269 WeakPolarHBondContact O-CB 3.33Å; Q265-E269 PolarHBondContact O-N 3.37Å
266R73.7Confident77.3Confident109 Ų10980 Ų8041%0.41140%0.399SS..Hα-helixtrans-63.2-25.7177.8-58.5-178.2-173.3157.95.7113.3N262 R263 G264 E269 G270N262-R266 HydrophobicContact CB-CB 3.79Å; N262-R266 WeakPolarHBondContact OD1-CB 3.48Å; R263-R266 PolarHBondContact O-N 3.04Å; G264-R266 VanDerWaalsContact C-N 3.29Å; G264-R266 PolarHBondContact O-N 3.19Å; R266-E269 VanDerWaalsContact CA-OE2 3.28Å; R266-E269 WeakPolarHBondContact CA-OE2 3.45Å; R266-G270 PolarHBondContact O-N 3.01Å
267M78.8Confident77.8Confident120 Ų12075.1 Ų75.159%0.59138%0.382SS*.Hα-helixtrans-73-39175-167-176.672.200111.5G264 Q265 A271G264-M267 WeakPolarHBondContact O-CB 3.34Å; G264-M267 PolarHBondContact O-N 3.2Å; G264-M267 VanDerWaalsContact O-N 3.14Å; Q265-M267 PolarHBondContact O-N 3.09Å; M267-A271 WeakPolarHBondContact O-CB 3.2Å; M267-A271 PolarHBondContact O-N 3.39Å; M267-A271 VanDerWaalsContact O-N 3.08Å
268K80.9Confident78.7Confident126 Ų12678.3 Ų78.355%0.54839%0.392SS..Hα-helixtrans-68.1-49.5175.8-64.1179.4-178.7173.40110.8Q265 G270 A271 H272Q265-K268 WeakPolarHBondContact O-CB 3.4Å; Q265-K268 PolarHBondContact O-N 3.31Å; K268-G270 PolarHBondContact O-N 2.98Å; K268-A271 CarbonylContact O-C 3.58Å; K268-A271 WeakPolarHBondContact O-CA 3.46Å; K268-A271 WeakPolarHBondContact O-CB 3.4Å; K268-A271 PolarHBondContact O-N 3.47Å; K268-A271 VanDerWaalsContact O-N 3.07Å; K268-H272 PolarHBondContact O-CD2 2.98Å; K268-H272 VanDerWaalsContact O-CD2 3.26Å; K268-H272 PolarHBondContact O-N 3.03Å
269E77Confident79.8Confident6 Ų673.7 Ų73.73%0.02836%0.36CS..Hα-helixtrans-49.8-55172.7175.9-159.8-170.800111.3Y154 R219 Q265 R266 A271 H272 I273Y154-E269 HydrophobicContact CE2-CG 3.9Å; Y154-E269 PolarHBondContact OH-OE1 3.3Å; R219-E269 WeakPolarHBondContact CD-OE1 3.31Å; R219-E269 IonicContact CZ-OE1 3.86Å; R219-E269 IonicContact CZ-OE2 3.15Å; R219-E269 IonicContact NE-OE1 2.78Å; R219-E269 VanDerWaalsContact NH1-CD 3.26Å; R219-E269 IonicContact NH1-OE1 3.38Å; R219-E269 PolarHBondContact NH1-OE1 3.38Å; R219-E269 VanDerWaalsContact NH1-OE1 3.13Å; R219-E269 IonicContact NH1-OE2 2.71Å; R219-E269 PolarHBondContact NH1-OE2 2.83Å; Q265-E269 WeakPolarHBondContact O-CB 3.33Å; Q265-E269 PolarHBondContact O-N 3.37Å; R266-E269 VanDerWaalsContact CA-OE2 3.28Å; R266-E269 WeakPolarHBondContact CA-OE2 3.45Å; E269-A271 VanDerWaalsContact C-N 3.27Å; E269-A271 PolarHBondContact O-N 3.46Å; E269-H272 PolarHBondContact O-N 3.47Å; E269-I273 HydrophobicContact CG-CD1 4.02Å; E269-I273 WeakPolarHBondContact O-CG1 3.19Å; E269-I273 PolarHBondContact O-N 2.93Å
270G79Confident81.1Confident8 Ų868.7 Ų68.78%0.08234%0.337CS..Hα-helixtrans-57.6-35.5176.300000113.8R266 K268 N274R266-G270 PolarHBondContact O-N 3.01Å; K268-G270 PolarHBondContact O-N 2.98Å; G270-N274 VanDerWaalsContact O-CB 3.32Å; G270-N274 WeakPolarHBondContact O-CB 3.46Å; G270-N274 PolarHBondContact O-N 2.87Å; G270-N274 PolarHBondContact O-ND2 2.92Å
271A82.7Confident82.3Confident57 Ų5767.2 Ų67.247%0.47133%0.329SS..Hα-helixtrans-70.7-36174.400000113M267 K268 E269 R275M267-A271 WeakPolarHBondContact O-CB 3.2Å; M267-A271 PolarHBondContact O-N 3.39Å; M267-A271 VanDerWaalsContact O-N 3.08Å; K268-A271 CarbonylContact O-C 3.58Å; K268-A271 WeakPolarHBondContact O-CA 3.46Å; K268-A271 WeakPolarHBondContact O-CB 3.4Å; K268-A271 PolarHBondContact O-N 3.47Å; K268-A271 VanDerWaalsContact O-N 3.07Å; E269-A271 VanDerWaalsContact C-N 3.27Å; E269-A271 PolarHBondContact O-N 3.46Å; A271-R275 VanDerWaalsContact O-CB 3.27Å; A271-R275 WeakPolarHBondContact O-CB 3.41Å; A271-R275 PolarHBondContact O-N 3.19Å
272H85.5Confident83.4Confident65 Ų6562.4 Ų62.430%0.30131%0.309SS..Hα-helixtrans-70.4-40.2174.1-80.5-83000112.3N155 K268 E269 R275 S276N155-H272 WeakPolarHBondContact OD1-CB 3.33Å; N155-H272 PolarHBondContact OD1-CD2 3.3Å; K268-H272 PolarHBondContact O-CD2 2.98Å; K268-H272 VanDerWaalsContact O-CD2 3.26Å; K268-H272 PolarHBondContact O-N 3.03Å; E269-H272 PolarHBondContact O-N 3.47Å; H272-R275 PolarHBondContact O-N 2.93Å; H272-S276 PolarHBondContact O-N 2.99Å
273I82.1Confident84.5Confident15 Ų1561 Ų618%0.07730%0.302CS..Hα-helixtrans-58.5-54.5171.9-65.6161.2000109.6R219 A252 E269 R275 S276 L277R219-I273 HydrophobicContact CB-CD1 3.81Å; R219-I273 HydrophobicContact CG-CD1 4.26Å; R219-I273 WeakPolarHBondContact O-CD1 3.35Å; R219-I273 WeakPolarHBondContact O-CG1 3.46Å; A252-I273 HydrophobicContact CB-CG2 3.72Å; E269-I273 HydrophobicContact CG-CD1 4.02Å; E269-I273 WeakPolarHBondContact O-CG1 3.19Å; E269-I273 PolarHBondContact O-N 2.93Å; I273-R275 VanDerWaalsContact C-N 3.29Å; I273-R275 PolarHBondContact O-N 3.24Å; I273-S276 PolarHBondContact O-N 3.22Å; I273-S276 VanDerWaalsContact O-N 3.11Å; I273-S276 PolarHBondContact O-OG 3.44Å; I273-L277 HydrophobicContact CG2-CD1 4.36Å; I273-L277 PolarHBondContact O-N 2.86Å; I273-L277 VanDerWaalsContact O-N 3.13Å
274N83.9Confident85.3Confident52 Ų5251 Ų5128%0.27826%0.264SS..Hα-helixtrans-61.4-34.3178.5-85.2-95.1000112.5G270 L277 L278G270-N274 VanDerWaalsContact O-CB 3.32Å; G270-N274 WeakPolarHBondContact O-CB 3.46Å; G270-N274 PolarHBondContact O-N 2.87Å; G270-N274 PolarHBondContact O-ND2 2.92Å; N274-L277 PolarHBondContact O-N 3.15Å; N274-L278 WeakPolarHBondContact O-CB 3.5Å; N274-L278 PolarHBondContact O-N 3.45Å
275R88.6Confident85.7Confident132 Ų13250.9 Ų50.950%0.49825%0.251SS..Hα-helixtrans-60.3-47.4172.7174.8-179.4170.2162.9-0.4111.8A271 H272 I273 L277 L278 A279 D300A271-R275 VanDerWaalsContact O-CB 3.27Å; A271-R275 WeakPolarHBondContact O-CB 3.41Å; A271-R275 PolarHBondContact O-N 3.19Å; H272-R275 PolarHBondContact O-N 2.93Å; I273-R275 VanDerWaalsContact C-N 3.29Å; I273-R275 PolarHBondContact O-N 3.24Å; R275-L277 PolarHBondContact O-N 3.19Å; R275-L278 PolarHBondContact O-N 3.09Å; R275-A279 WeakPolarHBondContact O-CB 3.41Å; R275-A279 PolarHBondContact O-N 3.18Å; R275-D300 PolarHBondContact NE-O 3.49Å; R275-D300 PolarHBondContact NH2-O 3.49Å
276S91.4Very high86.4Confident2 Ų246.2 Ų46.21%0.01423%0.233CC..Hα-helixtrans-64-39.6-179.367.90000112.4H221 H272 I273 L280H221-S276 PolarHBondContact NE2-OG 2.68Å; H272-S276 PolarHBondContact O-N 2.99Å; I273-S276 PolarHBondContact O-N 3.22Å; I273-S276 VanDerWaalsContact O-N 3.11Å; I273-S276 PolarHBondContact O-OG 3.44Å; S276-L280 WeakPolarHBondContact O-CB 3.44Å; S276-L280 PolarHBondContact O-N 2.92Å
277L90.1Very high87.2Confident13 Ų1342.6 Ų42.67%0.06822%0.222CC..Hα-helixtrans-77-29.6176.8-65.9178.5000113.1Y103 L251 G253 I273 N274 R275 L280 G281Y103-L277 HydrophobicContact CE2-CD2 4.41Å; L251-L277 HydrophobicContact CD1-CD2 4.42Å; G253-L277 WeakPolarHBondContact O-CD1 3.49Å; I273-L277 HydrophobicContact CG2-CD1 4.36Å; I273-L277 PolarHBondContact O-N 2.86Å; I273-L277 VanDerWaalsContact O-N 3.13Å; N274-L277 PolarHBondContact O-N 3.15Å; R275-L277 PolarHBondContact O-N 3.19Å; L277-L280 HydrophobicContact CD2-CD2 4.24Å; L277-G281 PolarHBondContact O-N 3.35Å
278L90.7Very high87.6Confident111 Ų11138 Ų3858%0.58120%0.202SC*.Hα-helixtrans-70.5-39.4171.6-177.963.5000111.6N274 R275 G281 N282N274-L278 WeakPolarHBondContact O-CB 3.5Å; N274-L278 PolarHBondContact O-N 3.45Å; R275-L278 PolarHBondContact O-N 3.09Å; L278-G281 CarbonylContact O-C 3.35Å; L278-G281 WeakPolarHBondContact O-CA 3.32Å; L278-G281 PolarHBondContact O-N 3.45Å; L278-N282 VanDerWaalsContact O-CG 3.25Å; L278-N282 PolarHBondContact O-N 2.82Å; L278-N282 PolarHBondContact O-ND2 3.15Å
279A92.8Very high87.6Confident3 Ų336 Ų363%0.02520%0.197CC..Hα-helixtrans-60.6-47.5171.900000110.6R275 G281 N282 C283 D300 T304R275-A279 WeakPolarHBondContact O-CB 3.41Å; R275-A279 PolarHBondContact O-N 3.18Å; A279-G281 VanDerWaalsContact C-N 3.25Å; A279-G281 PolarHBondContact O-N 3.38Å; A279-N282 PolarHBondContact O-N 2.87Å; A279-C283 PolarHBondContact O-N 3.13Å; A279-C283 PolarHBondContact O-SG 3.01Å; A279-C283 VanDerWaalsContact O-SG 3.37Å; A279-D300 HydrophobicContact CB-CB 3.74Å; A279-T304 VanDerWaalsContact C-CG2 3.48Å; A279-T304 HydrophobicContact CB-CG2 3.78Å
280L92.9Very high87.1Confident0 Ų045.5 Ų45.50%024%0.238CC..Hα-helixtrans-58.7-40.5172.8-169.266.9000111.1L251 S276 L277 C283 I284 L303 T304 L307 L311 Y339L251-L280 HydrophobicContact CD1-CD2 3.85Å; S276-L280 WeakPolarHBondContact O-CB 3.44Å; S276-L280 PolarHBondContact O-N 2.92Å; L277-L280 HydrophobicContact CD2-CD2 4.24Å; L280-C283 PolarHBondContact O-N 2.89Å; L280-I284 PolarHBondContact O-N 3.13Å; L280-L303 HydrophobicContact CD2-CD2 4.38Å; L280-T304 HydrophobicContact CB-CG2 4.1Å; L280-T304 HydrophobicContact CD1-CG2 4.27Å; L280-T304 VanDerWaalsContact N-CG2 3.29Å; L280-L307 HydrophobicContact CD1-CD1 3.67Å; L280-L311 HydrophobicContact CD1-CD1 3.62Å; L280-Y339 WeakPolarHBondContact CG-OH 3.39Å; L280-Y339 PolarHBondContact O-OH 2.93Å
281G90.8Very high86.3Confident10 Ų1047 Ų4710%0.10325%0.254CS..Hα-helixtrans-51.6-54.6171.100000112.7L277 L278 A279 I284 N285 Y339L277-G281 PolarHBondContact O-N 3.35Å; L278-G281 CarbonylContact O-C 3.35Å; L278-G281 WeakPolarHBondContact O-CA 3.32Å; L278-G281 PolarHBondContact O-N 3.45Å; A279-G281 VanDerWaalsContact C-N 3.25Å; A279-G281 PolarHBondContact O-N 3.38Å; G281-I284 PolarHBondContact O-N 3.24Å; G281-N285 WeakPolarHBondContact O-CB 3.07Å; G281-N285 PolarHBondContact O-N 3.49Å; G281-N285 PolarHBondContact O-ND2 2.57Å; G281-Y339 WeakPolarHBondContact CA-OH 3.4Å; G281-Y339 PolarHBondContact N-OH 3.07Å
282N91.8Very high85.1Confident69 Ų6949.6 Ų49.637%0.36927%0.269SS..Hα-helixtrans-64.7-42.6-179.7-67.8-20.1000112.2L278 A279 N285 A286L278-N282 VanDerWaalsContact O-CG 3.25Å; L278-N282 PolarHBondContact O-N 2.82Å; L278-N282 PolarHBondContact O-ND2 3.15Å; A279-N282 PolarHBondContact O-N 2.87Å; N282-N285 PolarHBondContact O-N 3.49Å; N282-A286 WeakPolarHBondContact O-CB 3.31Å; N282-A286 PolarHBondContact O-N 3.39Å
283C91.5Very high84Confident1 Ų153.8 Ų53.81%0.00729%0.293CS..Hα-helixtrans-59.9-48.3175.2-68.80000111.6A279 L280 N285 A286 L287 I296 L311A279-C283 PolarHBondContact O-N 3.13Å; A279-C283 PolarHBondContact O-SG 3.01Å; A279-C283 VanDerWaalsContact O-SG 3.37Å; L280-C283 PolarHBondContact O-N 2.89Å; C283-N285 PolarHBondContact O-N 2.83Å; C283-A286 PolarHBondContact O-N 3.4Å; C283-L287 WeakPolarHBondContact O-CB 3.05Å; C283-L287 WeakPolarHBondContact O-CD1 3.1Å; C283-L287 WeakPolarHBondContact O-CG 3.44Å; C283-L287 PolarHBondContact O-N 3.21Å; C283-I296 HydrophobicContact CB-CG2 4.17Å; C283-L311 HydrophobicContact CB-CD1 4.43Å
284I91Very high83.6Confident0 Ų058.3 Ų58.30%031%0.312CS..Hα-helixtrans-64.6-40.2178.6-74.5-156.4000112F101 L280 G281 L287 S288 L311 Y339 R342 A343 I346F101-I284 HydrophobicContact CZ-CD1 4.44Å; L280-I284 PolarHBondContact O-N 3.13Å; G281-I284 PolarHBondContact O-N 3.24Å; I284-L287 PolarHBondContact O-N 2.95Å; I284-S288 VanDerWaalsContact O-CB 3.31Å; I284-S288 WeakPolarHBondContact O-CB 3.36Å; I284-S288 PolarHBondContact O-N 2.73Å; I284-S288 PolarHBondContact O-OG 3.44Å; I284-L311 HydrophobicContact CD1-CD2 4.27Å; I284-L311 HydrophobicContact CG1-CD2 4.26Å; I284-Y339 HydrophobicContact CB-CE2 3.7Å; I284-Y339 HydrophobicContact CD1-CE1 4.21Å; I284-Y339 HydrophobicContact CD1-CE2 4.36Å; I284-Y339 WeakPolarHBondContact CD1-OH 3.21Å; I284-Y339 HydrophobicContact CG1-CE2 4.4Å; I284-Y339 WeakPolarHBondContact CG1-OH 3.14Å; I284-Y339 HydrophobicContact CG2-CD2 4.16Å; I284-Y339 HydrophobicContact CG2-CE2 3.52Å; I284-R342 HydrophobicContact CG2-CB 4.2Å; I284-A343 HydrophobicContact CD1-CB 3.88Å; I284-A343 HydrophobicContact CG2-CB 4.18Å; I284-I346 HydrophobicContact CB-CD1 3.97Å; I284-I346 HydrophobicContact CD1-CD1 4.09Å; I284-I346 HydrophobicContact CG1-CD1 3.69Å; I284-I346 HydrophobicContact CG2-CD1 3.95Å
285N89.8Confident83.6Confident47 Ų4763.6 Ų63.625%0.25133%0.33SS..Hα-helixtrans-60-49.5174-67.4-34.3000111.3G281 N282 C283 L287 S288 D289 R342G281-N285 WeakPolarHBondContact O-CB 3.07Å; G281-N285 PolarHBondContact O-N 3.49Å; G281-N285 PolarHBondContact O-ND2 2.57Å; N282-N285 PolarHBondContact O-N 3.49Å; C283-N285 PolarHBondContact O-N 2.83Å; N285-L287 VanDerWaalsContact C-N 3.34Å; N285-L287 PolarHBondContact O-N 2.69Å; N285-S288 PolarHBondContact O-N 2.88Å; N285-S288 PolarHBondContact O-OG 3.44Å; N285-D289 PolarHBondContact O-N 3.11Å; N285-R342 WeakPolarHBondContact OD1-CD 3.15Å; N285-R342 PolarHBondContact OD1-NH1 2.96Å
286A90.2Very high83.5Confident24 Ų2459 Ų5920%0.19832%0.315CS..Hα-helixtrans-64.2-35.2-179.200000113.3N282 C283 I296N282-A286 WeakPolarHBondContact O-CB 3.31Å; N282-A286 PolarHBondContact O-N 3.39Å; C283-A286 PolarHBondContact O-N 3.4Å; A286-I296 HydrophobicContact CB-CG1 4.21Å
287L89.1Confident83.4Confident33 Ų3362 Ų6217%0.17333%0.33CS..Hα-helixtrans-76.3-27.7175.5-76.5162.6000113.6C283 I284 N285 I296 L311 I346C283-L287 WeakPolarHBondContact O-CB 3.05Å; C283-L287 WeakPolarHBondContact O-CD1 3.1Å; C283-L287 WeakPolarHBondContact O-CG 3.44Å; C283-L287 PolarHBondContact O-N 3.21Å; I284-L287 PolarHBondContact O-N 2.95Å; N285-L287 VanDerWaalsContact C-N 3.34Å; N285-L287 PolarHBondContact O-N 2.69Å; L287-I296 HydrophobicContact CD2-CD1 3.56Å; L287-I296 HydrophobicContact CG-CD1 3.92Å; L287-L311 HydrophobicContact CD1-CB 3.71Å; L287-I346 HydrophobicContact CB-CD1 3.8Å; L287-I346 HydrophobicContact CB-CG1 3.76Å; L287-I346 HydrophobicContact CB-CG2 4.12Å; L287-I346 HydrophobicContact CD1-CD1 4.21Å; L287-I346 HydrophobicContact CD1-CG2 4.36Å
288S87.1Confident83.4Confident25 Ų2563 Ų6318%0.17533%0.334CS..Hα-helixtrans-76.1-23.5177.270.70000113.3I284 N285 K290 R342I284-S288 VanDerWaalsContact O-CB 3.31Å; I284-S288 WeakPolarHBondContact O-CB 3.36Å; I284-S288 PolarHBondContact O-N 2.73Å; I284-S288 PolarHBondContact O-OG 3.44Å; N285-S288 PolarHBondContact O-N 2.88Å; N285-S288 PolarHBondContact O-OG 3.44Å; S288-K290 PolarHBondContact O-N 3.43Å; S288-R342 WeakPolarHBondContact CB-O 3.32Å
289D82.2Confident83.5Confident83 Ų8365 Ų6544%0.44433%0.333SS..SBendtrans-74.1120.2173.3-88.5-16.6000110.7N285 G291 K294N285-D289 PolarHBondContact O-N 3.11Å; D289-G291 PolarHBondContact O-N 2.97Å; D289-K294 IonicContact OD2-NZ 3.62Å; D289-K294 PolarHBondContact OD2-NZ 2.91Å
290K66Low83.4Confident205 Ų20567.5 Ų67.589%0.89135%0.346SS*.SBendtrans-66.913.8-179.8-57.2-178.5-177.8176.10115.3S288 S292S288-K290 PolarHBondContact O-N 3.43Å; K290-S292 PolarHBondContact O-N 3.23Å
291G61.5Low83.4Confident39 Ų3967.7 Ų67.740%0.40235%0.347SS..  trans-92.690.2178.500000111.6D289 N293 K294D289-G291 PolarHBondContact O-N 2.97Å; G291-N293 PolarHBondContact O-N 3.19Å; G291-K294 PolarHBondContact O-N 3.26Å
292S58.5Low83.5Confident113 Ų11369.4 Ų69.479%0.7935%0.352SS*.THydrogen-bonded Turntrans-56.9-10.3-166.959.80000118.2K290K290-S292 PolarHBondContact O-N 3.23Å
293N61.3Low83.5Confident153 Ų15366.1 Ų66.182%0.81834%0.335SS*.THydrogen-bonded Turntrans-110.116.6-171.4-69.725.3000113.7G291G291-N293 PolarHBondContact O-N 3.19Å
294K74.2Confident83.5Confident109 Ų10966 Ų6647%0.47433%0.334SS..  trans-79.6131.4172.1-65.9-174.7-178.6-1700110.6D289 G291D289-K294 IonicContact OD2-NZ 3.62Å; D289-K294 PolarHBondContact OD2-NZ 2.91Å; G291-K294 PolarHBondContact O-N 3.26Å
295Y83.4Confident83.6Confident163 Ų16368.3 Ų68.364%0.63934%0.343SS*.  trans-63.2137.5165177.5-100.6000109.7N297Y295-N297 VanDerWaalsContact CD1-OD1 3.32Å; Y295-N297 WeakPolarHBondContact CD1-OD1 3.11Å; Y295-N297 WeakPolarHBondContact CE1-OD1 3.25Å
296I87.4Confident83.6Confident36 Ų3667 Ų6719%0.18534%0.336CS..  trans-111.9121.1-179-58160.2000108.3C283 A286 L287 Y298C283-I296 HydrophobicContact CB-CG2 4.17Å; A286-I296 HydrophobicContact CB-CG1 4.21Å; L287-I296 HydrophobicContact CD2-CD1 3.56Å; L287-I296 HydrophobicContact CG-CD1 3.92Å; I296-Y298 HydrophobicContact CB-CD2 4.01Å; I296-Y298 HydrophobicContact CB-CE2 3.65Å; I296-Y298 HydrophobicContact CD1-CE2 4.13Å; I296-Y298 HydrophobicContact CG2-CD1 4.22Å; I296-Y298 HydrophobicContact CG2-CD2 3.85Å; I296-Y298 HydrophobicContact CG2-CE1 3.91Å; I296-Y298 HydrophobicContact CG2-CE2 3.53Å; I296-Y298 HydrophobicContact CG2-CG 4.19Å; I296-Y298 WeakPolarHBondContact O-CD2 3.3Å; I296-Y298 PolarHBondContact O-N 3.48Å
297N88.9Confident83.6Confident64 Ų6466 Ų6634%0.34233%0.327SS..  trans-75.452.1-173.6-64.715.1000114.3Y295 R299 D300Y295-N297 VanDerWaalsContact CD1-OD1 3.32Å; Y295-N297 WeakPolarHBondContact CD1-OD1 3.11Å; Y295-N297 WeakPolarHBondContact CE1-OD1 3.25Å; N297-R299 PolarHBondContact O-N 2.72Å; N297-D300 HydrophobicContact CB-CB 4.45Å; N297-D300 VanDerWaalsContact CB-CG 3.48Å; N297-D300 WeakPolarHBondContact CB-OD2 3.32Å; N297-D300 PolarHBondContact ND2-OD2 3.48Å; N297-D300 PolarHBondContact O-N 3.32Å; N297-D300 VanDerWaalsContact O-N 3.11Å
298Y91Very high83.7Confident36 Ų3667.2 Ų67.214%0.14133%0.331CS..G310 helixtrans-54.4-25.7176.8-65.6-70000113.1I296 D300 T304 R305 K308 L311I296-Y298 HydrophobicContact CB-CD2 4.01Å; I296-Y298 HydrophobicContact CB-CE2 3.65Å; I296-Y298 HydrophobicContact CD1-CE2 4.13Å; I296-Y298 HydrophobicContact CG2-CD1 4.22Å; I296-Y298 HydrophobicContact CG2-CD2 3.85Å; I296-Y298 HydrophobicContact CG2-CE1 3.91Å; I296-Y298 HydrophobicContact CG2-CE2 3.53Å; I296-Y298 HydrophobicContact CG2-CG 4.19Å; I296-Y298 WeakPolarHBondContact O-CD2 3.3Å; I296-Y298 PolarHBondContact O-N 3.48Å; Y298-D300 VanDerWaalsContact C-N 3.35Å; Y298-D300 PolarHBondContact O-N 3.18Å; Y298-T304 CarbonylContact O-C 3.59Å; Y298-T304 VanDerWaalsContact O-CB 3.28Å; Y298-T304 WeakPolarHBondContact O-CB 3.46Å; Y298-T304 PolarHBondContact O-OG1 2.83Å; Y298-R305 WeakPolarHBondContact O-CG 3.19Å; Y298-R305 PolarHBondContact O-N 3.34Å; Y298-K308 HydrophobicContact CD1-CB 4.13Å; Y298-K308 HydrophobicContact CD1-CG 4.37Å; Y298-K308 HydrophobicContact CD2-CG 4.17Å; Y298-K308 HydrophobicContact CE2-CG 4.41Å; Y298-K308 HydrophobicContact CG-CB 4.23Å; Y298-K308 HydrophobicContact CG-CG 4.13Å; Y298-L311 HydrophobicContact CE1-CB 4.28Å
299R91.9Very high83.6Confident152 Ų15268.3 Ų68.357%0.57434%0.335SS*.G310 helixtrans-78.4-4-178.9-69.1-177.1173.9156.2-1.3115.6E173 N297 S301 R305E173-R299 IonicContact OE1-NE 3.49Å; E173-R299 IonicContact OE1-NH2 2.69Å; E173-R299 IonicContact OE2-CZ 2.6Å; E173-R299 IonicContact OE2-NE 3.35Å; E173-R299 IonicContact OE2-NH2 3.46Å; E173-R299 PolarHBondContact OE2-NH2 2.99Å; N297-R299 PolarHBondContact O-N 2.72Å; R299-S301 VanDerWaalsContact C-N 3.28Å; R299-S301 PolarHBondContact O-N 3.01Å; R299-R305 HydrophobicContact CG-CG 4.28Å
300D91.8Very high83.9Confident56 Ų5664.5 Ų64.530%0.29932%0.315SS..G310 helixtrans-68.1-23.1-176.7-75.3-1.9000114.1R275 A279 N297 Y298R275-D300 PolarHBondContact NE-O 3.49Å; R275-D300 PolarHBondContact NH2-O 3.49Å; A279-D300 HydrophobicContact CB-CB 3.74Å; N297-D300 HydrophobicContact CB-CB 4.45Å; N297-D300 VanDerWaalsContact CB-CG 3.48Å; N297-D300 WeakPolarHBondContact CB-OD2 3.32Å; N297-D300 PolarHBondContact ND2-OD2 3.48Å; N297-D300 PolarHBondContact O-N 3.32Å; N297-D300 VanDerWaalsContact O-N 3.11Å; Y298-D300 VanDerWaalsContact C-N 3.35Å; Y298-D300 PolarHBondContact O-N 3.18Å
301S92.4Very high84.8Confident3 Ų354.8 Ų54.82%0.02127%0.272CS..SBendtrans-145.8159.7174.873.60000112.3E156 R299 L303 T304 R305E156-S301 WeakPolarHBondContact OE2-CA 3.2Å; R299-S301 VanDerWaalsContact C-N 3.28Å; R299-S301 PolarHBondContact O-N 3.01Å; S301-L303 VanDerWaalsContact C-N 3.29Å; S301-L303 PolarHBondContact O-N 3.01Å; S301-T304 PolarHBondContact N-OG1 3.36Å; S301-T304 PolarHBondContact O-N 2.98Å; S301-T304 PolarHBondContact O-OG1 3.38Å; S301-T304 VanDerWaalsContact O-OG1 3.06Å; S301-T304 PolarHBondContact OG-N 3.41Å; S301-T304 PolarHBondContact OG-OG1 3.22Å; S301-R305 WeakPolarHBondContact O-CG 3.31Å; S301-R305 PolarHBondContact O-N 3.05Å; S301-R305 VanDerWaalsContact O-N 3.17Å
302K91.8Very high85.7Confident46 Ų4654.4 Ų54.420%0.227%0.269CS..Hα-helixtrans-64-34.8172.7-70.1-170.7-172.8166.90112.3E156 I158 L171 R305 L306E156-K302 WeakPolarHBondContact O-CD 3.29Å; E156-K302 WeakPolarHBondContact O-CE 3.29Å; E156-K302 PolarHBondContact O-NZ 3.14Å; E156-K302 PolarHBondContact OE2-N 3.26Å; I158-K302 HydrophobicContact CD1-CD 3.91Å; I158-K302 HydrophobicContact CG1-CD 3.88Å; L171-K302 HydrophobicContact CD2-CB 4.35Å; L171-K302 WeakPolarHBondContact CD2-O 3.36Å; K302-R305 PolarHBondContact O-N 3.46Å; K302-L306 PolarHBondContact O-N 2.88Å
303L91.9Very high87Confident0 Ų050 Ų500%024%0.242CC..Hα-helixtrans-60.8-49.8176.3177.666.3000111.9I153 L251 L280 S301 R305 L306 L307I153-L303 HydrophobicContact CD1-CB 4.46Å; I153-L303 HydrophobicContact CD1-CD1 4.33Å; L251-L303 HydrophobicContact CD2-CD1 3.89Å; L251-L303 HydrophobicContact CD2-CD2 3.9Å; L280-L303 HydrophobicContact CD2-CD2 4.38Å; S301-L303 VanDerWaalsContact C-N 3.29Å; S301-L303 PolarHBondContact O-N 3.01Å; L303-R305 VanDerWaalsContact C-N 3.29Å; L303-R305 PolarHBondContact O-N 3.06Å; L303-L306 PolarHBondContact O-N 3.23Å; L303-L307 HydrophobicContact CD1-CD1 3.82Å; L303-L307 HydrophobicContact CD1-CG 4.37Å; L303-L307 HydrophobicContact CG-CD1 3.97Å; L303-L307 WeakPolarHBondContact O-CB 3.27Å; L303-L307 PolarHBondContact O-N 3.12Å
304T92.5Very high88.3Confident0 Ų044.3 Ų44.30%021%0.211CC..Hα-helixtrans-69.3-25.6179.148.40000113.5A279 L280 Y298 S301 K308A279-T304 VanDerWaalsContact C-CG2 3.48Å; A279-T304 HydrophobicContact CB-CG2 3.78Å; L280-T304 HydrophobicContact CB-CG2 4.1Å; L280-T304 HydrophobicContact CD1-CG2 4.27Å; L280-T304 VanDerWaalsContact N-CG2 3.29Å; Y298-T304 CarbonylContact O-C 3.59Å; Y298-T304 VanDerWaalsContact O-CB 3.28Å; Y298-T304 WeakPolarHBondContact O-CB 3.46Å; Y298-T304 PolarHBondContact O-OG1 2.83Å; S301-T304 PolarHBondContact N-OG1 3.36Å; S301-T304 PolarHBondContact O-N 2.98Å; S301-T304 PolarHBondContact O-OG1 3.38Å; S301-T304 VanDerWaalsContact O-OG1 3.06Å; S301-T304 PolarHBondContact OG-N 3.41Å; S301-T304 PolarHBondContact OG-OG1 3.22Å; T304-K308 PolarHBondContact O-N 2.8Å
305R91.9Very high89.1Confident47 Ų4739.2 Ų39.218%0.17719%0.189CC..Hα-helixtrans-67.8-46.4170-75.4-177.372.9-139.3-3.3110.7L171 E173 I179 Y298 R299 S301 K302 L303 K308L171-R305 HydrophobicContact CD2-CB 3.38Å; L171-R305 HydrophobicContact CD2-CG 4.43Å; L171-R305 PolarHBondContact O-NH1 3.43Å; L171-R305 PolarHBondContact O-NH2 2.96Å; E173-R305 IonicContact OE1-CZ 2.72Å; E173-R305 IonicContact OE1-NE 3.58Å; E173-R305 PolarHBondContact OE1-NE 3.06Å; E173-R305 IonicContact OE1-NH2 3.25Å; E173-R305 PolarHBondContact OE1-NH2 3.38Å; I179-R305 HydrophobicContact CD1-CB 4.17Å; I179-R305 VanDerWaalsContact CG1-O 3.32Å; I179-R305 WeakPolarHBondContact CG1-O 3.41Å; Y298-R305 WeakPolarHBondContact O-CG 3.19Å; Y298-R305 PolarHBondContact O-N 3.34Å; R299-R305 HydrophobicContact CG-CG 4.28Å; S301-R305 WeakPolarHBondContact O-CG 3.31Å; S301-R305 PolarHBondContact O-N 3.05Å; S301-R305 VanDerWaalsContact O-N 3.17Å; K302-R305 PolarHBondContact O-N 3.46Å; L303-R305 VanDerWaalsContact C-N 3.29Å; L303-R305 PolarHBondContact O-N 3.06Å; R305-K308 WeakPolarHBondContact O-CB 3.45Å; R305-K308 PolarHBondContact O-N 3.09Å
306L91.3Very high89.6Confident20 Ų2035.1 Ų35.111%0.10517%0.173CC..Hα-helixtrans-64.7-39.9177.4-170.262.4000112.2L151 I153 L171 I179 V223 K302 L303 K308L151-L306 HydrophobicContact CD2-CD2 4.5Å; I153-L306 HydrophobicContact CD1-CD2 4.17Å; L171-L306 HydrophobicContact CD1-CD1 4.23Å; I179-L306 HydrophobicContact CG2-CD1 4.37Å; V223-L306 HydrophobicContact CB-CD2 4.48Å; V223-L306 HydrophobicContact CG1-CD2 4.05Å; V223-L306 HydrophobicContact CG2-CD2 4.17Å; K302-L306 PolarHBondContact O-N 2.88Å; L303-L306 PolarHBondContact O-N 3.23Å; L306-K308 VanDerWaalsContact C-N 3.29Å; L306-K308 PolarHBondContact O-N 3Å
307L89.3Confident89.9Confident2 Ų233.6 Ų33.61%0.0117%0.165CC..THydrogen-bonded Turntrans-80.75.1177.6-74.5174.1000115.1T99 I249 L280 L303 D309 S310 L311T99-L307 HydrophobicContact CG2-CD2 3.98Å; I249-L307 HydrophobicContact CD1-CD2 3.58Å; I249-L307 HydrophobicContact CD1-CG 4.42Å; L280-L307 HydrophobicContact CD1-CD1 3.67Å; L303-L307 HydrophobicContact CD1-CD1 3.82Å; L303-L307 HydrophobicContact CD1-CG 4.37Å; L303-L307 HydrophobicContact CG-CD1 3.97Å; L303-L307 WeakPolarHBondContact O-CB 3.27Å; L303-L307 PolarHBondContact O-N 3.12Å; L307-D309 PolarHBondContact O-N 3.03Å; L307-S310 WeakPolarHBondContact O-CB 3.45Å; L307-S310 PolarHBondContact O-N 2.82Å; L307-L311 HydrophobicContact CB-CD1 3.83Å; L307-L311 HydrophobicContact CB-CG 4.16Å; L307-L311 WeakPolarHBondContact O-CG 3.36Å; L307-L311 PolarHBondContact O-N 3.18Å
308K90.4Very high90.3Very high59 Ų5930.8 Ų30.826%0.25715%0.15SC..Hα-helixtrans-51-53.9-179.1173.3-164.6163.8-172.10112G177 I179 Y298 T304 R305 L306 S310 G312G177-K308 PolarHBondContact O-NZ 2.87Å; I179-K308 HydrophobicContact CD1-CD 4.47Å; I179-K308 HydrophobicContact CG1-CB 4.45Å; I179-K308 HydrophobicContact CG1-CD 3.91Å; Y298-K308 HydrophobicContact CD1-CB 4.13Å; Y298-K308 HydrophobicContact CD1-CG 4.37Å; Y298-K308 HydrophobicContact CD2-CG 4.17Å; Y298-K308 HydrophobicContact CE2-CG 4.41Å; Y298-K308 HydrophobicContact CG-CB 4.23Å; Y298-K308 HydrophobicContact CG-CG 4.13Å; T304-K308 PolarHBondContact O-N 2.8Å; R305-K308 WeakPolarHBondContact O-CB 3.45Å; R305-K308 PolarHBondContact O-N 3.09Å; L306-K308 VanDerWaalsContact C-N 3.29Å; L306-K308 PolarHBondContact O-N 3Å; K308-S310 VanDerWaalsContact C-N 3.32Å; K308-G312 PolarHBondContact O-N 3.4Å
309D86.7Confident90.5Very high48 Ų4829 Ų2926%0.25714%0.143SC..Hα-helixtrans-75.9-25.9-175.4-62.4-16.1000111.5L307 G313 N314 S315L307-D309 PolarHBondContact O-N 3.03Å; D309-G313 CarbonylContact O-C 3.58Å; D309-G313 VanDerWaalsContact O-C 3.27Å; D309-G313 VanDerWaalsContact O-CA 3.25Å; D309-G313 WeakPolarHBondContact O-CA 3.42Å; D309-G313 PolarHBondContact O-N 3.14Å; D309-G313 VanDerWaalsContact O-N 3.15Å; D309-N314 PolarHBondContact O-N 3Å; D309-S315 WeakPolarHBondContact O-CB 3.38Å
310S87.7Confident90.8Very high4 Ų421.8 Ų21.83%0.02812%0.116CC..Hα-helixtrans-67.1-41.1173.6-52.90000113.5T99 L307 K308 T317T99-S310 VanDerWaalsContact OG1-CB 3.23Å; T99-S310 WeakPolarHBondContact OG1-CB 3.31Å; T99-S310 PolarHBondContact OG1-OG 3.43Å; L307-S310 WeakPolarHBondContact O-CB 3.45Å; L307-S310 PolarHBondContact O-N 2.82Å; K308-S310 VanDerWaalsContact C-N 3.32Å; S310-T317 WeakPolarHBondContact O-CB 3.4Å; S310-T317 PolarHBondContact O-OG1 3.08Å
311L86Confident91.1Very high0 Ų019.1 Ų19.10%010%0.101CC..Hα-helixtrans-91.1-35-169.7-67168.6000113.4F101 L280 C283 I284 L287 Y298 L307 I346F101-L311 HydrophobicContact CE1-CD2 4.43Å; F101-L311 HydrophobicContact CZ-CD2 4.5Å; L280-L311 HydrophobicContact CD1-CD1 3.62Å; C283-L311 HydrophobicContact CB-CD1 4.43Å; I284-L311 HydrophobicContact CD1-CD2 4.27Å; I284-L311 HydrophobicContact CG1-CD2 4.26Å; L287-L311 HydrophobicContact CD1-CB 3.71Å; Y298-L311 HydrophobicContact CE1-CB 4.28Å; L307-L311 HydrophobicContact CB-CD1 3.83Å; L307-L311 HydrophobicContact CB-CG 4.16Å; L307-L311 WeakPolarHBondContact O-CG 3.36Å; L307-L311 PolarHBondContact O-N 3.18Å; L311-I346 WeakPolarHBondContact O-CG2 3.32Å
312G80.2Confident91.3Very high32 Ų3219 Ų1933%0.3310%0.101SC..Hα-helixtrans-1408.2-178.300000115.2K308K308-G312 PolarHBondContact O-N 3.4Å
313G84Confident91.5Very high21 Ų2116.9 Ų16.922%0.2169%0.091CC..SBendtrans-109.2-140.6-177.500000113.5D309 S315 R349D309-G313 CarbonylContact O-C 3.58Å; D309-G313 VanDerWaalsContact O-C 3.27Å; D309-G313 VanDerWaalsContact O-CA 3.25Å; D309-G313 WeakPolarHBondContact O-CA 3.42Å; D309-G313 PolarHBondContact O-N 3.14Å; D309-G313 VanDerWaalsContact O-N 3.15Å; G313-S315 PolarHBondContact O-N 3.25Å; G313-R349 PolarHBondContact O-N 3.47Å
314N88.9Confident91.7Very high33 Ų3317 Ų1718%0.1769%0.092CC..SBendtrans-93.287.4177.4-178.618.3000110.6N97 D309 R349 V350 K351 N353N97-N314 VanDerWaalsContact CB-O 3.27Å; N97-N314 WeakPolarHBondContact CB-O 3.4Å; N97-N314 PolarHBondContact ND2-O 2.9Å; D309-N314 PolarHBondContact O-N 3Å; N314-R349 WeakPolarHBondContact CA-O 3.49Å; N314-V350 WeakPolarHBondContact OD1-CA 3.49Å; N314-K351 PolarHBondContact ND2-O 3.07Å; N314-K351 PolarHBondContact OD1-N 2.85Å; N314-K351 PolarHBondContact OD1-O 2.88Å; N314-K351 VanDerWaalsContact OD1-O 3.11Å; N314-N353 PolarHBondContact ND2-OD1 2.76Å
315S91.4Very high91.8Very high2 Ų217.1 Ų17.11%0.0149%0.093CC..  trans-159142.3172.1-163.30000111.7N97 T99 D309 G313 T348 V350N97-S315 WeakPolarHBondContact O-CA 3.47Å; T99-S315 PolarHBondContact N-OG 3.42Å; T99-S315 PolarHBondContact OG1-OG 3.39Å; D309-S315 WeakPolarHBondContact O-CB 3.38Å; G313-S315 PolarHBondContact O-N 3.25Å; S315-T348 VanDerWaalsContact O-CB 3.3Å; S315-T348 WeakPolarHBondContact O-CB 3.3Å; S315-T348 PolarHBondContact O-OG1 2.97Å; S315-V350 WeakPolarHBondContact O-CG2 3.5Å
316R93.4Very high92Very high77 Ų7714.9 Ų14.929%0.2919%0.085SC..EExtended strand (participates in β ladder)trans-79.4119.9160.4-67.9-175.5-179.8-176.32.5108L88 N97 A98 T99 V350L88-R316 HydrophobicContact CD2-CB 4.05Å; N97-R316 PolarHBondContact O-N 3.48Å; A98-R316 CarbonylContact C-O 3.55Å; A98-R316 VanDerWaalsContact CA-O 3.23Å; A98-R316 WeakPolarHBondContact CA-O 3.39Å; T99-R316 PolarHBondContact N-O 3.4Å; R316-V350 HydrophobicContact CG-CG1 4.01Å; R316-V350 HydrophobicContact CG-CG2 3.93Å
317T94.7Very high92.1Very high4 Ų415.1 Ų15.13%0.0259%0.088CC..EExtended strand (participates in β ladder)trans-123.3132.9-169.6-61.10000112.4L12 M13 T99 F101 S310L12-T317 HydrophobicContact CD1-CG2 3.73Å; L12-T317 HydrophobicContact CG-CG2 4.01Å; M13-T317 PolarHBondContact N-O 3.39Å; T99-T317 CarbonylContact O-C 3.6Å; T99-T317 WeakPolarHBondContact O-CA 3.48Å; F101-T317 HydrophobicContact CD1-CG2 4.23Å; F101-T317 HydrophobicContact CE1-CG2 3.76Å; S310-T317 WeakPolarHBondContact O-CB 3.4Å; S310-T317 PolarHBondContact O-OG1 3.08Å
318V96.2Very high92.1Very high4 Ų419 Ų192%0.02411%0.112CC..EExtended strand (participates in β ladder)trans-124.1122.6-179-174.60000109.5M13 L88 T99 V100 F101 I320M13-V318 HydrophobicContact CB-CG2 4.25Å; M13-V318 HydrophobicContact CG-CG1 4.35Å; M13-V318 WeakPolarHBondContact O-CA 3.28Å; M13-V318 HydrophobicContact SD-CG1 4.14Å; M13-V318 HydrophobicContact SD-CG2 4.22Å; L88-V318 HydrophobicContact CD1-CG2 3.85Å; L88-V318 HydrophobicContact CD2-CG2 4.09Å; L88-V318 HydrophobicContact CG-CG2 4.42Å; T99-V318 PolarHBondContact O-N 2.97Å; V100-V318 WeakPolarHBondContact CA-O 3.31Å; F101-V318 PolarHBondContact N-O 3.17Å; V318-I320 HydrophobicContact CG1-CG1 4.41Å
319M96.3Very high92.2Very high0 Ų017.2 Ų17.20%011%0.108CC..EExtended strand (participates in β ladder)trans-103125173177.4177.3-175.200109.1L12 M13 V14 A15 F101 Y103 A321 Y339 A340 A343L12-M319 HydrophobicContact CD2-CB 4.02Å; M13-M319 PolarHBondContact O-N 3.24Å; V14-M319 WeakPolarHBondContact CA-O 3.46Å; V14-M319 HydrophobicContact CG2-CB 4.34Å; A15-M319 PolarHBondContact N-O 3Å; F101-M319 HydrophobicContact CD2-CG 4.21Å; F101-M319 HydrophobicContact CE1-CB 4Å; F101-M319 HydrophobicContact CE2-CB 3.91Å; F101-M319 HydrophobicContact CE2-CE 4.24Å; F101-M319 HydrophobicContact CE2-CG 3.51Å; F101-M319 HydrophobicContact CE2-SD 3.91Å; F101-M319 HydrophobicContact CZ-CB 3.61Å; F101-M319 HydrophobicContact CZ-CG 3.7Å; F101-M319 HydrophobicContact CZ-SD 3.98Å; Y103-M319 HydrophobicContact CD1-CE 3.65Å; Y103-M319 HydrophobicContact CD2-CE 4.43Å; Y103-M319 HydrophobicContact CE1-CE 4.47Å; Y103-M319 HydrophobicContact CG-CE 3.65Å; M319-A321 HydrophobicContact CE-CB 4.32Å; M319-Y339 HydrophobicContact CE-CD1 3.74Å; M319-Y339 HydrophobicContact CE-CE1 3.97Å; M319-A340 HydrophobicContact CE-CB 4.19Å; M319-A343 HydrophobicContact SD-CB 3.41Å; M319-A343 WeakPolarHBondContact SD-CB 3.5Å
320I97.6Very high92.4Very high0 Ų015.7 Ų15.70%010%0.099CC..EExtended strand (participates in β ladder)trans-106.7103.6170.5-47.5180000108.1A15 T84 V100 F101 A102 Y103 T113 I123 V318 H322A15-I320 HydrophobicContact CB-CG1 4.37Å; A15-I320 HydrophobicContact CB-CG2 4.33Å; T84-I320 HydrophobicContact CG2-CD1 4.3Å; T84-I320 HydrophobicContact CG2-CG1 4.5Å; V100-I320 HydrophobicContact CG1-CD1 4.19Å; F101-I320 PolarHBondContact O-N 3.45Å; A102-I320 WeakPolarHBondContact CA-O 3.41Å; Y103-I320 PolarHBondContact N-O 3.25Å; T113-I320 HydrophobicContact CG2-CD1 3.91Å; T113-I320 HydrophobicContact CG2-CG2 4.36Å; I123-I320 HydrophobicContact CG1-CD1 4.49Å; V318-I320 HydrophobicContact CG1-CG1 4.41Å; I320-H322 VanDerWaalsContact CG2-CE1 3.5Å; I320-H322 WeakPolarHBondContact CG2-CE1 3.42Å; I320-H322 PolarHBondContact O-CE1 2.94Å; I320-H322 PolarHBondContact O-ND1 2.86Å
321A97.4Very high92.6Very high0 Ų018.9 Ų18.90%011%0.114CC..EExtended strand (participates in β ladder)trans-88.3131.1179.500000110.9A15 L16 R17 Y103 M319 T336 A340A15-A321 PolarHBondContact O-N 3Å; L16-A321 CarbonylContact C-O 3.47Å; L16-A321 WeakPolarHBondContact CA-O 3.21Å; L16-A321 HydrophobicContact CD1-CB 3.82Å; R17-A321 PolarHBondContact N-O 3.36Å; Y103-A321 CarbonylContact O-C 3.59Å; Y103-A321 WeakPolarHBondContact O-CA 3.5Å; M319-A321 HydrophobicContact CE-CB 4.32Å; A321-T336 HydrophobicContact CB-CG2 4.19Å; A321-A340 HydrophobicContact CB-CB 3.67Å
322H97.4Very high92.8Very high1 Ų119.7 Ų19.71%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-114.9132.4-172.5-64.778.4000111.2R17 Y103 P105 C108 K110 T113 I320R17-H322 WeakPolarHBondContact O-CA 3.45Å; Y103-H322 WeakPolarHBondContact O-CB 3.39Å; Y103-H322 PolarHBondContact O-N 2.85Å; Y103-H322 PolarHBondContact O-ND1 3.36Å; Y103-H322 VanDerWaalsContact O-ND1 3.1Å; P105-H322 WeakPolarHBondContact CD-O 3.34Å; C108-H322 HydrophobicContact CB-CB 3.95Å; K110-H322 HydrophobicContact CG-CB 4.32Å; T113-H322 VanDerWaalsContact CB-NE2 3.31Å; T113-H322 WeakPolarHBondContact CB-NE2 3.09Å; T113-H322 PolarHBondContact OG1-NE2 3.06Å; I320-H322 VanDerWaalsContact CG2-CE1 3.5Å; I320-H322 WeakPolarHBondContact CG2-CE1 3.42Å; I320-H322 PolarHBondContact O-CE1 2.94Å; I320-H322 PolarHBondContact O-ND1 2.86Å
323I96.8Very high93.5Very high0 Ų018.2 Ų18.20%010%0.102CC..EExtended strand (participates in β ladder)trans-134.6151.5175.563.3168.6000112.3L16 R17 V18 R19 A34 T336 L337L16-I323 HydrophobicContact CD1-CG2 4.39Å; L16-I323 HydrophobicContact CD2-CD1 3.98Å; L16-I323 HydrophobicContact CD2-CG1 4.32Å; R17-I323 PolarHBondContact O-N 3.49Å; R17-I323 VanDerWaalsContact O-N 3.11Å; V18-I323 HydrophobicContact CB-CG1 4.36Å; V18-I323 HydrophobicContact CG1-CG1 4.31Å; V18-I323 HydrophobicContact CG2-CD1 4Å; V18-I323 HydrophobicContact CG2-CG1 3.93Å; R19-I323 PolarHBondContact N-O 3.47Å; A34-I323 HydrophobicContact CB-CD1 3.88Å; I323-T336 HydrophobicContact CG2-CG2 3.74Å; I323-L337 HydrophobicContact CD1-CD1 4.04Å; I323-L337 HydrophobicContact CD1-CD2 4.23Å; I323-L337 HydrophobicContact CD1-CG 4.23Å; I323-L337 HydrophobicContact CG2-CG 4.42Å
324S95.3Very high94Very high2 Ų220.2 Ų20.21%0.01410%0.103CC..  trans-82.3142.8162.4173.20000109.7R19 E25 C108 A326 S333R19-S324 PolarHBondContact NH1-OG 2.83Å; E25-S324 WeakPolarHBondContact OE1-CB 3.35Å; E25-S324 PolarHBondContact OE1-OG 3Å; E25-S324 PolarHBondContact OE2-OG 3.16Å; C108-S324 PolarHBondContact SG-N 2.76Å; C108-S324 VanDerWaalsContact SG-N 3.41Å; S324-A326 VanDerWaalsContact C-N 3.28Å; S324-A326 WeakPolarHBondContact OG-CB 3.24Å; S324-A326 PolarHBondContact OG-N 3.33Å; S324-A326 VanDerWaalsContact OG-N 3.1Å; S324-S333 PolarHBondContact O-OG 3.3Å
325P95.4Very high94.2Very high4 Ų420.5 Ų20.53%0.02611%0.105CC..  trans-80.6-4.2171.836.2-38.1000113.8V18 R19 I21 L32 I33 A34V18-P325 HydrophobicContact CG1-CB 3.8Å; V18-P325 HydrophobicContact CG1-CG 4.32Å; R19-P325 VanDerWaalsContact O-CD 3.25Å; R19-P325 WeakPolarHBondContact O-CD 3.37Å; R19-P325 WeakPolarHBondContact O-CG 3.44Å; I21-P325 HydrophobicContact CB-CG 4.01Å; L32-P325 CarbonylContact C-O 3.51Å; L32-P325 WeakPolarHBondContact CA-O 3.47Å; L32-P325 HydrophobicContact CD2-CB 3.82Å; L32-P325 HydrophobicContact CD2-CG 3.97Å; I33-P325 WeakPolarHBondContact CG1-O 3.29Å; I33-P325 PolarHBondContact N-O 3.29Å; A34-P325 HydrophobicContact CB-CB 4.25Å
326A94.8Very high94.3Very high0 Ų020.4 Ų20.40%010%0.104CC..BIsolated β-bridgetrans-76.9142.7-174.800000113.4I21 E25 A30 T31 I33 S324 T328 A329I21-A326 HydrophobicContact CD1-CB 4.25Å; I21-A326 HydrophobicContact CG1-CB 4.36Å; E25-A326 HydrophobicContact CB-CB 3.94Å; E25-A326 HydrophobicContact CG-CB 3.78Å; E25-A326 WeakPolarHBondContact OE1-CB 3.33Å; A30-A326 HydrophobicContact CB-CB 3.81Å; T31-A326 CarbonylContact O-C 3.57Å; T31-A326 WeakPolarHBondContact O-CA 3.34Å; I33-A326 WeakPolarHBondContact CD1-O 3.31Å; S324-A326 VanDerWaalsContact C-N 3.28Å; S324-A326 WeakPolarHBondContact OG-CB 3.24Å; S324-A326 PolarHBondContact OG-N 3.33Å; S324-A326 VanDerWaalsContact OG-N 3.1Å; A326-T328 VanDerWaalsContact C-N 3.28Å; A326-T328 PolarHBondContact O-N 3.05Å; A326-A329 WeakPolarHBondContact O-CB 3.45Å; A326-A329 PolarHBondContact O-N 3.42Å
327S93.1Very high94.4Very high25 Ų2516.8 Ų16.818%0.1759%0.09CC..G310 helixtrans-59.9-33.8-179.759.20000113.8A30 T31 A329 F330A30-S327 WeakPolarHBondContact CA-OG 3.37Å; T31-S327 PolarHBondContact N-OG 3.5Å; T31-S327 PolarHBondContact O-N 3.11Å; T31-S327 WeakPolarHBondContact OG1-CB 3.3Å; T31-S327 PolarHBondContact OG1-OG 3.45Å; S327-A329 PolarHBondContact O-N 3.05Å; S327-F330 VanDerWaalsContact O-CB 3.31Å; S327-F330 WeakPolarHBondContact O-CB 3.35Å; S327-F330 PolarHBondContact O-N 3.46Å; S327-F330 VanDerWaalsContact O-N 3.12Å
328T90.6Very high94.4Very high84 Ų8418.6 Ų18.652%0.51510%0.102SC..G310 helixtrans-59.5-27173.650.70000112.7A30 A326A30-T328 HydrophobicContact CB-CG2 4.01Å; A326-T328 VanDerWaalsContact C-N 3.28Å; A326-T328 PolarHBondContact O-N 3.05Å
329A91.5Very high94.2Very high21 Ų2119.3 Ų19.317%0.17410%0.104CC..G310 helixtrans-911.8178.700000114.6A326 S327 E331 E332 S333A326-A329 WeakPolarHBondContact O-CB 3.45Å; A326-A329 PolarHBondContact O-N 3.42Å; S327-A329 PolarHBondContact O-N 3.05Å; A329-E331 VanDerWaalsContact C-N 3.35Å; A329-E331 PolarHBondContact O-N 3.01Å; A329-E331 VanDerWaalsContact O-N 3.15Å; A329-E332 PolarHBondContact O-N 3.23Å; A329-S333 PolarHBondContact O-N 2.92Å; A329-S333 PolarHBondContact O-OG 3.4Å
330F92.2Very high94.1Very high15 Ų1519.3 Ų19.37%0.06610%0.104CC..Hα-helixtrans-46.2-50.5-171.1173.8-106.4000114.4I33 L44 M45 D46 P47 S327 E332 R334I33-F330 HydrophobicContact CD1-CB 3.68Å; I33-F330 HydrophobicContact CD1-CD2 3.8Å; I33-F330 HydrophobicContact CD1-CG 4.24Å; L44-F330 HydrophobicContact CD2-CD2 3.74Å; L44-F330 HydrophobicContact CD2-CE2 3.52Å; L44-F330 HydrophobicContact CD2-CZ 4.44Å; L44-F330 HydrophobicContact CG-CD2 4.03Å; L44-F330 HydrophobicContact CG-CE2 3.92Å; M45-F330 WeakPolarHBondContact O-CD2 3.43Å; M45-F330 WeakPolarHBondContact O-CE2 3.28Å; D46-F330 HydrophobicContact CB-CE2 4.03Å; D46-F330 HydrophobicContact CB-CZ 3.82Å; D46-F330 WeakPolarHBondContact OD2-CE1 3.46Å; D46-F330 WeakPolarHBondContact OD2-CZ 3.36Å; P47-F330 HydrophobicContact CG-CB 4.03Å; P47-F330 HydrophobicContact CG-CD2 4.43Å; P47-F330 HydrophobicContact CG-CG 4.1Å; S327-F330 VanDerWaalsContact O-CB 3.31Å; S327-F330 WeakPolarHBondContact O-CB 3.35Å; S327-F330 PolarHBondContact O-N 3.46Å; S327-F330 VanDerWaalsContact O-N 3.12Å; F330-E332 PolarHBondContact O-N 2.91Å; F330-R334 VanDerWaalsContact O-CB 3.25Å; F330-R334 WeakPolarHBondContact O-CB 3.3Å; F330-R334 PolarHBondContact O-N 3.28Å
331E90.8Very high93.9Very high72 Ų7220.6 Ų20.634%0.33612%0.117SC..Hα-helixtrans-60.7-43.7-177.3-78.2-68.9121.900112.2A329 R334 N335A329-E331 VanDerWaalsContact C-N 3.35Å; A329-E331 PolarHBondContact O-N 3.01Å; A329-E331 VanDerWaalsContact O-N 3.15Å; E331-R334 VanDerWaalsContact CD-NH2 3.26Å; E331-R334 IonicContact OE1-CZ 3.98Å; E331-R334 VanDerWaalsContact OE1-CZ 3.28Å; E331-R334 IonicContact OE1-NH1 3.25Å; E331-R334 PolarHBondContact OE1-NH1 3.36Å; E331-R334 IonicContact OE1-NH2 3.73Å; E331-R334 PolarHBondContact OE1-NH2 3.33Å; E331-R334 IonicContact OE2-CZ 3.79Å; E331-R334 IonicContact OE2-NH1 2.68Å; E331-R334 IonicContact OE2-NH2 2.71Å; E331-R334 PolarHBondContact OE2-NH2 2.88Å; E331-N335 WeakPolarHBondContact O-CB 3.44Å; E331-N335 PolarHBondContact O-N 3.19Å; E331-N335 PolarHBondContact O-ND2 2.76Å; E331-N335 PolarHBondContact O-OD1 2.85Å
332E91.5Very high93.7Very high16 Ų1625.8 Ų25.88%0.07514%0.137CC..Hα-helixtrans-81.6-32.7-177.5-59.4-54.9163.600113P105 R256 Q259 A329 F330 R334 N335 T336P105-E332 HydrophobicContact CG-CB 3.78Å; R256-E332 WeakPolarHBondContact CG-OE1 3.23Å; R256-E332 IonicContact NE-OE1 3.28Å; Q259-E332 PolarHBondContact NE2-OE1 3.5Å; A329-E332 PolarHBondContact O-N 3.23Å; F330-E332 PolarHBondContact O-N 2.91Å; E332-R334 VanDerWaalsContact C-N 3.33Å; E332-N335 PolarHBondContact O-N 3.49Å; E332-N335 PolarHBondContact OE2-ND2 3.06Å; E332-T336 VanDerWaalsContact O-CB 3.28Å; E332-T336 WeakPolarHBondContact O-CB 3.45Å; E332-T336 PolarHBondContact O-N 3.15Å; E332-T336 PolarHBondContact O-OG1 2.85Å
333S94.4Very high93.4Very high1 Ų125.8 Ų25.81%0.00714%0.137CC..Hα-helixtrans-60.4-44167.2-67.40000110.4S324 A329 T336 L337S324-S333 PolarHBondContact O-OG 3.3Å; A329-S333 PolarHBondContact O-N 2.92Å; A329-S333 PolarHBondContact O-OG 3.4Å; S333-T336 PolarHBondContact O-N 2.93Å; S333-L337 WeakPolarHBondContact O-CB 3.34Å; S333-L337 WeakPolarHBondContact O-CD1 3.42Å; S333-L337 WeakPolarHBondContact O-CG 3.22Å; S333-L337 PolarHBondContact O-N 3.41Å
334R93.8Very high93.2Very high63 Ų6328 Ų2824%0.23815%0.147CC..Hα-helixtrans-65.3-40.1175.3-165.4-165.867.4-139.2-16.3112.9L44 Y65 F330 E331 E332 T338L44-R334 HydrophobicContact CD2-CB 3.64Å; L44-R334 HydrophobicContact CD2-CG 4.06Å; Y65-R334 WeakPolarHBondContact OH-CG 3.4Å; F330-R334 VanDerWaalsContact O-CB 3.25Å; F330-R334 WeakPolarHBondContact O-CB 3.3Å; F330-R334 PolarHBondContact O-N 3.28Å; E331-R334 VanDerWaalsContact CD-NH2 3.26Å; E331-R334 IonicContact OE1-CZ 3.98Å; E331-R334 VanDerWaalsContact OE1-CZ 3.28Å; E331-R334 IonicContact OE1-NH1 3.25Å; E331-R334 PolarHBondContact OE1-NH1 3.36Å; E331-R334 IonicContact OE1-NH2 3.73Å; E331-R334 PolarHBondContact OE1-NH2 3.33Å; E331-R334 IonicContact OE2-CZ 3.79Å; E331-R334 IonicContact OE2-NH1 2.68Å; E331-R334 IonicContact OE2-NH2 2.71Å; E331-R334 PolarHBondContact OE2-NH2 2.88Å; E332-R334 VanDerWaalsContact C-N 3.33Å; R334-T338 VanDerWaalsContact O-CB 3.28Å; R334-T338 WeakPolarHBondContact O-CB 3.4Å; R334-T338 PolarHBondContact O-N 2.9Å; R334-T338 PolarHBondContact O-OG1 3.11Å
335N92.9Very high93Very high40 Ų4032.1 Ų32.121%0.21417%0.168CC..Hα-helixtrans-61.6-47.8175.2-64.8-26000110.1R256 E331 E332 T338 Y339R256-N335 PolarHBondContact NE-ND2 2.97Å; R256-N335 PolarHBondContact NH2-ND2 2.92Å; R256-N335 PolarHBondContact NH2-OD1 3.34Å; E331-N335 WeakPolarHBondContact O-CB 3.44Å; E331-N335 PolarHBondContact O-N 3.19Å; E331-N335 PolarHBondContact O-ND2 2.76Å; E331-N335 PolarHBondContact O-OD1 2.85Å; E332-N335 PolarHBondContact O-N 3.49Å; E332-N335 PolarHBondContact OE2-ND2 3.06Å; N335-T338 PolarHBondContact O-N 2.99Å; N335-Y339 WeakPolarHBondContact O-CB 3.3Å; N335-Y339 PolarHBondContact O-N 3.33Å
336T94.8Very high92.7Very high0 Ų031.9 Ų31.90%017%0.167CC..Hα-helixtrans-63.4-49-179.7-60.40000112.5Y103 A321 I323 E332 S333 T338 Y339 A340Y103-T336 HydrophobicContact CD1-CG2 4.01Å; Y103-T336 HydrophobicContact CE1-CG2 3.99Å; A321-T336 HydrophobicContact CB-CG2 4.19Å; I323-T336 HydrophobicContact CG2-CG2 3.74Å; E332-T336 VanDerWaalsContact O-CB 3.28Å; E332-T336 WeakPolarHBondContact O-CB 3.45Å; E332-T336 PolarHBondContact O-N 3.15Å; E332-T336 PolarHBondContact O-OG1 2.85Å; S333-T336 PolarHBondContact O-N 2.93Å; T336-T338 VanDerWaalsContact C-N 3.31Å; T336-T338 PolarHBondContact O-N 2.95Å; T336-Y339 PolarHBondContact O-N 3.48Å; T336-Y339 VanDerWaalsContact O-N 3.14Å; T336-A340 WeakPolarHBondContact O-CB 3.44Å; T336-A340 PolarHBondContact O-N 3.47Å
337L95.6Very high92.4Very high0 Ų039.7 Ų39.70%020%0.196CC..Hα-helixtrans-58.7-41.5175.5-74.2163.3000112.1L16 L44 Y65 F67 I323 S333 Y339 G341L16-L337 HydrophobicContact CD1-CD2 3.67Å; L16-L337 HydrophobicContact CD2-CD2 3.64Å; L16-L337 HydrophobicContact CG-CD2 4.31Å; L44-L337 HydrophobicContact CB-CD1 3.97Å; L44-L337 HydrophobicContact CD1-CD1 4Å; L44-L337 HydrophobicContact CD2-CD1 4Å; L44-L337 HydrophobicContact CG-CD1 4.22Å; Y65-L337 HydrophobicContact CD1-CB 3.75Å; Y65-L337 HydrophobicContact CD2-CB 4.01Å; Y65-L337 HydrophobicContact CD2-CD1 3.9Å; Y65-L337 HydrophobicContact CD2-CD2 4.17Å; Y65-L337 HydrophobicContact CD2-CG 4.27Å; Y65-L337 HydrophobicContact CE1-CB 3.6Å; Y65-L337 HydrophobicContact CE2-CB 3.87Å; Y65-L337 HydrophobicContact CE2-CD1 3.76Å; Y65-L337 HydrophobicContact CE2-CG 4.34Å; Y65-L337 HydrophobicContact CG-CB 3.94Å; Y65-L337 HydrophobicContact CG-CD2 4.12Å; Y65-L337 HydrophobicContact CG-CG 4.45Å; F67-L337 HydrophobicContact CE2-CD2 3.53Å; F67-L337 HydrophobicContact CZ-CD2 3.58Å; I323-L337 HydrophobicContact CD1-CD1 4.04Å; I323-L337 HydrophobicContact CD1-CD2 4.23Å; I323-L337 HydrophobicContact CD1-CG 4.23Å; I323-L337 HydrophobicContact CG2-CG 4.42Å; S333-L337 WeakPolarHBondContact O-CB 3.34Å; S333-L337 WeakPolarHBondContact O-CD1 3.42Å; S333-L337 WeakPolarHBondContact O-CG 3.22Å; S333-L337 PolarHBondContact O-N 3.41Å; L337-Y339 VanDerWaalsContact C-N 3.33Å; L337-Y339 PolarHBondContact O-N 2.84Å; L337-G341 PolarHBondContact O-N 3.47Å
338T93.2Very high92.1Very high43 Ų4338.5 Ų38.526%0.26419%0.188SC..Hα-helixtrans-67.5-33.6177.2-59.30000112.1Y65 R334 N335 T336 R342Y65-T338 PolarHBondContact OH-OG1 3.17Å; R334-T338 VanDerWaalsContact O-CB 3.28Å; R334-T338 WeakPolarHBondContact O-CB 3.4Å; R334-T338 PolarHBondContact O-N 2.9Å; R334-T338 PolarHBondContact O-OG1 3.11Å; N335-T338 PolarHBondContact O-N 2.99Å; T336-T338 VanDerWaalsContact C-N 3.31Å; T336-T338 PolarHBondContact O-N 2.95Å; T338-R342 PolarHBondContact O-N 3.3Å
339Y92.2Very high91.9Very high18 Ų1841.9 Ų41.97%0.07119%0.191CC..Hα-helixtrans-75.5-47.3178.4-174.9-120.8000112.4Y103 L280 G281 I284 M319 N335 T336 L337 G341 R342 A343Y103-Y339 AromaticContact CD1-CD1 3.99Å; Y103-Y339 HydrophobicContact CD1-CD1 3.99Å; Y103-Y339 HydrophobicContact CD1-CE1 4.45Å; Y103-Y339 HydrophobicContact CD2-CD1 4.24Å; Y103-Y339 AromaticContact CD2-CE1 3.92Å; Y103-Y339 HydrophobicContact CD2-CE1 3.92Å; Y103-Y339 AromaticContact CE1-CD1 3.52Å; Y103-Y339 HydrophobicContact CE1-CD1 3.52Å; Y103-Y339 HydrophobicContact CE1-CE1 4.16Å; Y103-Y339 HydrophobicContact CE1-CG 4.44Å; Y103-Y339 AromaticContact CE2-CD1 3.75Å; Y103-Y339 HydrophobicContact CE2-CD1 3.75Å; Y103-Y339 AromaticContact CE2-CE1 3.53Å; Y103-Y339 HydrophobicContact CE2-CE1 3.53Å; Y103-Y339 HydrophobicContact CG-CD1 4.35Å; Y103-Y339 HydrophobicContact CG-CE1 4.37Å; Y103-Y339 AromaticContact CZ-CD1 3.37Å; Y103-Y339 AromaticContact CZ-CE1 3.68Å; L280-Y339 WeakPolarHBondContact CG-OH 3.39Å; L280-Y339 PolarHBondContact O-OH 2.93Å; G281-Y339 WeakPolarHBondContact CA-OH 3.4Å; G281-Y339 PolarHBondContact N-OH 3.07Å; I284-Y339 HydrophobicContact CB-CE2 3.7Å; I284-Y339 HydrophobicContact CD1-CE1 4.21Å; I284-Y339 HydrophobicContact CD1-CE2 4.36Å; I284-Y339 WeakPolarHBondContact CD1-OH 3.21Å; I284-Y339 HydrophobicContact CG1-CE2 4.4Å; I284-Y339 WeakPolarHBondContact CG1-OH 3.14Å; I284-Y339 HydrophobicContact CG2-CD2 4.16Å; I284-Y339 HydrophobicContact CG2-CE2 3.52Å; M319-Y339 HydrophobicContact CE-CD1 3.74Å; M319-Y339 HydrophobicContact CE-CE1 3.97Å; N335-Y339 WeakPolarHBondContact O-CB 3.3Å; N335-Y339 PolarHBondContact O-N 3.33Å; T336-Y339 PolarHBondContact O-N 3.48Å; T336-Y339 VanDerWaalsContact O-N 3.14Å; L337-Y339 VanDerWaalsContact C-N 3.33Å; L337-Y339 PolarHBondContact O-N 2.84Å; Y339-G341 VanDerWaalsContact C-N 3.28Å; Y339-G341 PolarHBondContact O-N 3Å; Y339-R342 WeakPolarHBondContact O-CB 3.43Å; Y339-R342 PolarHBondContact O-N 2.93Å; Y339-A343 PolarHBondContact O-N 2.79Å
340A94.9Very high91.7Very high0 Ų041.2 Ų41.20%019%0.185CC..Hα-helixtrans-57-41173.800000111.8V14 F67 M319 A321 T336 R342 A343 K344V14-A340 HydrophobicContact CG1-CB 3.84Å; F67-A340 HydrophobicContact CD1-CB 4.42Å; F67-A340 HydrophobicContact CE1-CB 3.61Å; F67-A340 HydrophobicContact CZ-CB 4.28Å; M319-A340 HydrophobicContact CE-CB 4.19Å; A321-A340 HydrophobicContact CB-CB 3.67Å; T336-A340 WeakPolarHBondContact O-CB 3.44Å; T336-A340 PolarHBondContact O-N 3.47Å; A340-R342 PolarHBondContact O-N 2.77Å; A340-A343 WeakPolarHBondContact O-CB 3.4Å; A340-A343 PolarHBondContact O-N 2.78Å; A340-K344 PolarHBondContact O-N 2.89Å; A340-K344 VanDerWaalsContact O-N 3.14Å
341G92.9Very high91.4Very high28 Ų2846.2 Ų46.229%0.28921%0.207SC..Hα-helixtrans-63.7-22.7174.100000114.9L337 Y339 N345L337-G341 PolarHBondContact O-N 3.47Å; Y339-G341 VanDerWaalsContact C-N 3.28Å; Y339-G341 PolarHBondContact O-N 3Å; G341-N345 PolarHBondContact O-ND2 3.27Å
342R92.7Very high91.2Very high109 Ų10945.5 Ų45.541%0.41120%0.204SC..Hα-helixtrans-81.1-43170.3-67.1177.4-167.3174.93.7111.4I284 N285 S288 T338 Y339 A340 K344 N345I284-R342 HydrophobicContact CG2-CB 4.2Å; N285-R342 WeakPolarHBondContact OD1-CD 3.15Å; N285-R342 PolarHBondContact OD1-NH1 2.96Å; S288-R342 WeakPolarHBondContact CB-O 3.32Å; T338-R342 PolarHBondContact O-N 3.3Å; Y339-R342 WeakPolarHBondContact O-CB 3.43Å; Y339-R342 PolarHBondContact O-N 2.93Å; A340-R342 PolarHBondContact O-N 2.77Å; R342-K344 PolarHBondContact O-N 3.44Å; R342-N345 WeakPolarHBondContact O-CB 3.48Å; R342-N345 PolarHBondContact O-N 3.3Å
343A92.7Very high90.9Very high0 Ų046.7 Ų46.70%021%0.211CC..Hα-helixtrans-55.2-38.217800000112.6L12 V14 I284 M319 Y339 A340 N345 I346L12-A343 HydrophobicContact CD2-CB 4.21Å; V14-A343 HydrophobicContact CG2-CB 4.05Å; I284-A343 HydrophobicContact CD1-CB 3.88Å; I284-A343 HydrophobicContact CG2-CB 4.18Å; M319-A343 HydrophobicContact SD-CB 3.41Å; M319-A343 WeakPolarHBondContact SD-CB 3.5Å; Y339-A343 PolarHBondContact O-N 2.79Å; A340-A343 WeakPolarHBondContact O-CB 3.4Å; A340-A343 PolarHBondContact O-N 2.78Å; A343-N345 PolarHBondContact O-N 3.49Å; A343-I346 WeakPolarHBondContact O-CB 3.38Å; A343-I346 WeakPolarHBondContact O-CG1 3.5Å; A343-I346 PolarHBondContact O-N 2.81Å
344K91.6Very high90.3Very high48 Ų4850.1 Ų50.121%0.20923%0.229CC..THydrogen-bonded Turntrans-57.5-19.1175.7-179.2159.7167.6152.60114Q11 V14 F67 D68 A340 R342Q11-K344 PolarHBondContact NE2-O 2.85Å; V14-K344 HydrophobicContact CB-CB 4.22Å; V14-K344 HydrophobicContact CG2-CB 3.71Å; F67-K344 PolarHBondContact O-NZ 3.42Å; D68-K344 WeakPolarHBondContact OD1-CE 3.45Å; D68-K344 IonicContact OD1-NZ 3.57Å; D68-K344 PolarHBondContact OD1-NZ 2.89Å; D68-K344 IonicContact OD2-NZ 2.84Å; A340-K344 PolarHBondContact O-N 2.89Å; A340-K344 VanDerWaalsContact O-N 3.14Å; R342-K344 PolarHBondContact O-N 3.44Å
345N90.6Very high89.3Confident87 Ų8750.3 Ų50.347%0.46523%0.234SC..THydrogen-bonded Turntrans-86.6-9.3176.7-68.1-81.5000114.2Q11 G341 R342 A343Q11-N345 PolarHBondContact NE2-O 2.81Å; G341-N345 PolarHBondContact O-ND2 3.27Å; R342-N345 WeakPolarHBondContact O-CB 3.48Å; R342-N345 PolarHBondContact O-N 3.3Å; A343-N345 PolarHBondContact O-N 3.49Å
346I90Very high87.5Confident0 Ų053.8 Ų53.80%025%0.253CS..  trans-74.2137.8-178.2-61-179.8000111.6Q11 L12 I284 L287 L311 A343Q11-I346 PolarHBondContact NE2-O 3.47Å; L12-I346 HydrophobicContact CB-CB 4.13Å; L12-I346 HydrophobicContact CB-CG2 4.48Å; L12-I346 WeakPolarHBondContact CB-O 3.45Å; L12-I346 HydrophobicContact CD1-CB 4.16Å; L12-I346 HydrophobicContact CD1-CD1 4.38Å; L12-I346 HydrophobicContact CD1-CG2 4.18Å; L12-I346 PolarHBondContact N-O 3.21Å; I284-I346 HydrophobicContact CB-CD1 3.97Å; I284-I346 HydrophobicContact CD1-CD1 4.09Å; I284-I346 HydrophobicContact CG1-CD1 3.69Å; I284-I346 HydrophobicContact CG2-CD1 3.95Å; L287-I346 HydrophobicContact CB-CD1 3.8Å; L287-I346 HydrophobicContact CB-CG1 3.76Å; L287-I346 HydrophobicContact CB-CG2 4.12Å; L287-I346 HydrophobicContact CD1-CD1 4.21Å; L287-I346 HydrophobicContact CD1-CG2 4.36Å; L311-I346 WeakPolarHBondContact O-CG2 3.32Å; A343-I346 WeakPolarHBondContact O-CB 3.38Å; A343-I346 WeakPolarHBondContact O-CG1 3.5Å; A343-I346 PolarHBondContact O-N 2.81Å
347R87.9Confident85.4Confident163 Ų16357 Ų5762%0.61527%0.272SS*.EExtended strand (participates in β ladder)trans-117.1134.4175.3-68.9-180175.5-173.5-3.4111.4Q10 Q11Q10-R347 CarbonylContact O-C 3.59Å; Q10-R347 WeakPolarHBondContact O-CA 3.13Å; Q11-R347 VanDerWaalsContact OE1-CG 3.25Å
348T87.2Confident82.9Confident1 Ų160.7 Ų60.71%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-111.9160.1174.162.40000110.7Q10 S315Q10-T348 PolarHBondContact N-O 2.81Å; Q10-T348 PolarHBondContact O-N 2.99Å; S315-T348 VanDerWaalsContact O-CB 3.3Å; S315-T348 WeakPolarHBondContact O-CB 3.3Å; S315-T348 PolarHBondContact O-OG1 2.97Å
349R86.3Confident80.5Confident154 Ų15467.5 Ų67.558%0.58132%0.32SS*.EExtended strand (participates in β ladder)trans-112.689.3-178.2-71.9-159.4148.3174-2.9110.8D9 G313 N314D9-R349 WeakPolarHBondContact OD1-CG 3.48Å; D9-R349 IonicContact OD1-CZ 2.64Å; D9-R349 IonicContact OD1-NE 3.25Å; D9-R349 PolarHBondContact OD1-NE 3.19Å; D9-R349 IonicContact OD1-NH2 3.63Å; D9-R349 PolarHBondContact OD1-NH2 3.16Å; D9-R349 IonicContact OD2-NE 3.25Å; D9-R349 IonicContact OD2-NH2 2.67Å; D9-R349 PolarHBondContact OD2-NH2 2.63Å; G313-R349 PolarHBondContact O-N 3.47Å; N314-R349 WeakPolarHBondContact CA-O 3.49Å
350V86.7Confident78.2Confident8 Ų870.1 Ų70.15%0.04833%0.333CS..EExtended strand (participates in β ladder)trans-79127.3-171.4-179.80000110.3S7 K8 Q10 Y96 N314 S315 R316S7-V350 WeakPolarHBondContact CA-O 3.45Å; K8-V350 PolarHBondContact N-O 3.32Å; K8-V350 PolarHBondContact O-N 2.97Å; Q10-V350 HydrophobicContact CB-CG2 3.67Å; Q10-V350 HydrophobicContact CG-CG2 4.28Å; Y96-V350 HydrophobicContact CD1-CG1 3.43Å; Y96-V350 VanDerWaalsContact CD1-CG1 3.43Å; Y96-V350 HydrophobicContact CE1-CG1 3.89Å; Y96-V350 HydrophobicContact CG-CG1 4.34Å; N314-V350 WeakPolarHBondContact OD1-CA 3.49Å; S315-V350 WeakPolarHBondContact O-CG2 3.5Å; R316-V350 HydrophobicContact CG-CG1 4.01Å; R316-V350 HydrophobicContact CG-CG2 3.93Å
351K86.8Confident76Confident119 Ų11974 Ų7452%0.51735%0.353SS..  trans-138.7146.5178.4-65.9-173.9178.3-173.50109.7Y96 N314Y96-K351 WeakPolarHBondContact CD1-O 3.2Å; N314-K351 PolarHBondContact ND2-O 3.07Å; N314-K351 PolarHBondContact OD1-N 2.85Å; N314-K351 PolarHBondContact OD1-O 2.88Å; N314-K351 VanDerWaalsContact OD1-O 3.11Å
352Q87.1Confident73.9Confident57 Ų5775.7 Ų75.727%0.26636%0.363SS..  trans-73.7130.8174.6-163.517612.800109.8S94 Y96 L354S94-Q352 WeakPolarHBondContact O-CG 3.44Å; S94-Q352 PolarHBondContact O-NE2 3.5Å; Y96-Q352 HydrophobicContact CD1-CB 4.36Å; Y96-Q352 HydrophobicContact CE1-CB 3.86Å; Y96-Q352 VanDerWaalsContact CE1-N 3.35Å; Y96-Q352 HydrophobicContact CE2-CB 4.37Å; Y96-Q352 HydrophobicContact CE2-CG 4.28Å; Q352-L354 HydrophobicContact CG-CD2 4.48Å; Q352-L354 HydrophobicContact CG-CG 4.4Å; Q352-L354 PolarHBondContact O-N 2.88Å; Q352-L354 VanDerWaalsContact O-N 3.13Å
353N85.7Confident71.6Confident41 Ų4175.4 Ų75.422%0.21937%0.367CS..  trans-82.588.2177.1-57.7-43.3000109.5G95 N97 R242 Q243 N314G95-N353 WeakPolarHBondContact O-CB 3.39Å; G95-N353 PolarHBondContact O-N 3.45Å; G95-N353 PolarHBondContact O-ND2 2.69Å; N97-N353 PolarHBondContact ND2-ND2 2.65Å; N97-N353 PolarHBondContact OD1-ND2 2.81Å; R242-N353 WeakPolarHBondContact CA-O 3.39Å; Q243-N353 PolarHBondContact N-O 3.11Å; Q243-N353 VanDerWaalsContact N-O 3.09Å; Q243-N353 VanDerWaalsContact O-CB 3.27Å; Q243-N353 WeakPolarHBondContact O-CB 3.33Å; Q243-N353 PolarHBondContact O-ND2 3.18Å; N314-N353 PolarHBondContact ND2-OD1 2.76Å
354L81.1Confident69.8Low74 Ų7482.1 Ų82.139%0.38739%0.393SS..EExtended strand (participates in β ladder)trans-87106.3172.5-66.3169000109.9E240 R242 Q352 N356E240-L354 HydrophobicContact CB-CD2 4.43Å; R242-L354 HydrophobicContact CG-CD2 3.55Å; Q352-L354 HydrophobicContact CG-CD2 4.48Å; Q352-L354 HydrophobicContact CG-CG 4.4Å; Q352-L354 PolarHBondContact O-N 2.88Å; Q352-L354 VanDerWaalsContact O-N 3.13Å; L354-N356 PolarHBondContact O-N 3.2Å
355L72.8Confident68.4Low67 Ų6784.1 Ų84.135%0.35141%0.41SS..EExtended strand (participates in β ladder)trans-79.489.9162.3-62.2-179.3000108.1V241 Q243 V357V241-L355 HydrophobicContact CB-CB 4.16Å; V241-L355 HydrophobicContact CG1-CB 4.4Å; V241-L355 HydrophobicContact CG1-CD1 4.46Å; V241-L355 PolarHBondContact N-O 3.4Å; V241-L355 WeakPolarHBondContact O-CA 3.18Å; V241-L355 WeakPolarHBondContact O-CB 3.49Å; V241-L355 PolarHBondContact O-N 3.41Å; Q243-L355 HydrophobicContact CB-CD1 4.23Å; L355-V357 PolarHBondContact O-N 2.9Å
356N55.2Low67.2Low113 Ų11382.8 Ų82.860%0.60441%0.407SS*.EExtended strand (participates in β ladder)trans-6696.5169.2-74.45.2000109.1L354 S358L354-N356 PolarHBondContact O-N 3.2Å; N356-S358 PolarHBondContact O-N 2.87Å
357V50.2Low66Low68 Ų6886.3 Ų86.341%0.41243%0.425SS..  trans-75.377.5164.3-174.10000106.9V241 L355 Y359V241-V357 HydrophobicContact CB-CG2 4.36Å; V241-V357 HydrophobicContact CG2-CG2 3.89Å; L355-V357 PolarHBondContact O-N 2.9Å; V357-Y359 HydrophobicContact CG1-CD2 4.06Å; V357-Y359 HydrophobicContact CG1-CE2 4.32Å; V357-Y359 PolarHBondContact O-N 2.91Å
358S42.3Very low65.3Low77 Ų7782.3 Ų82.354%0.53842%0.415SS..  trans-73.271.5-177.955.20000111.3N356 H360N356-S358 PolarHBondContact O-N 2.87Å; S358-H360 VanDerWaalsContact C-N 3.34Å; S358-H360 PolarHBondContact O-N 3.37Å
359Y43.8Very low64.9Low185 Ų18585 Ų8573%0.72544%0.437SS*.  trans-56105.2152-94.3-79.8000106.7V357 I361V357-Y359 HydrophobicContact CG1-CD2 4.06Å; V357-Y359 HydrophobicContact CG1-CE2 4.32Å; V357-Y359 PolarHBondContact O-N 2.91Å; Y359-I361 PolarHBondContact O-N 3.25Å
360H44.2Very low64.4Low74 Ų7482.3 Ų82.334%0.34343%0.434SS..  trans-78.328.6-156.1-120.5-47.9000114.4S358 A362 Q363 Y364S358-H360 VanDerWaalsContact C-N 3.34Å; S358-H360 PolarHBondContact O-N 3.37Å; H360-A362 PolarHBondContact O-N 3Å; H360-Q363 HydrophobicContact CB-CB 4.45Å; H360-Q363 PolarHBondContact CE1-OE1 2.82Å; H360-Q363 VanDerWaalsContact CE1-OE1 3.3Å; H360-Q363 WeakPolarHBondContact ND1-CB 3.49Å; H360-Q363 WeakPolarHBondContact ND1-CG 3.35Å; H360-Q363 PolarHBondContact ND1-OE1 3.43Å; H360-Q363 CarbonylContact O-C 3.57Å; H360-Q363 WeakPolarHBondContact O-CA 3.4Å; H360-Q363 PolarHBondContact O-N 2.99Å; H360-Y364 VanDerWaalsContact C-CD2 3.42Å; H360-Y364 HydrophobicContact CB-CD2 4.13Å; H360-Y364 HydrophobicContact CB-CE2 3.87Å; H360-Y364 WeakPolarHBondContact O-CD2 3.38Å; H360-Y364 PolarHBondContact O-N 2.71Å
361I49.1Very low64Low82 Ų8286.5 Ų86.542%0.42146%0.456SS..Hα-helixtrans-49-40.5-171.9-59.4175.8000112.2I237 Y359 Y364 T365I237-I361 HydrophobicContact CG2-CB 4.12Å; I237-I361 HydrophobicContact CG2-CG2 4.22Å; Y359-I361 PolarHBondContact O-N 3.25Å; I361-Y364 CarbonylContact O-C 3.57Å; I361-Y364 PolarHBondContact O-N 3.47Å; I361-T365 PolarHBondContact O-N 2.85Å; I361-T365 PolarHBondContact O-OG1 3.43Å; I361-T365 VanDerWaalsContact O-OG1 3.11Å
362A47Very low63.9Low62 Ų6289.3 Ų89.351%0.51246%0.463SS..Hα-helixtrans-68.4-31.6176.800000114.4H360 T365 S366H360-A362 PolarHBondContact O-N 3Å; A362-T365 WeakPolarHBondContact CA-OG1 3.46Å; A362-T365 PolarHBondContact O-OG1 2.96Å; A362-S366 PolarHBondContact O-N 3.12Å
363Q46.1Very low63.8Low103 Ų10388.4 Ų88.448%0.48147%0.469SS..Hα-helixtrans-78.3-38.5167.6-80.2-170.9-2.400111.2H360 T365 S366 I367H360-Q363 HydrophobicContact CB-CB 4.45Å; H360-Q363 PolarHBondContact CE1-OE1 2.82Å; H360-Q363 VanDerWaalsContact CE1-OE1 3.3Å; H360-Q363 WeakPolarHBondContact ND1-CB 3.49Å; H360-Q363 WeakPolarHBondContact ND1-CG 3.35Å; H360-Q363 PolarHBondContact ND1-OE1 3.43Å; H360-Q363 CarbonylContact O-C 3.57Å; H360-Q363 WeakPolarHBondContact O-CA 3.4Å; H360-Q363 PolarHBondContact O-N 2.99Å; Q363-T365 VanDerWaalsContact C-N 3.25Å; Q363-T365 PolarHBondContact O-N 3.37Å; Q363-S366 CarbonylContact O-C 3.57Å; Q363-S366 PolarHBondContact O-N 3.36Å; Q363-S366 VanDerWaalsContact O-N 3.11Å; Q363-I367 HydrophobicContact CB-CD1 4.14Å; Q363-I367 VanDerWaalsContact O-CB 3.29Å; Q363-I367 WeakPolarHBondContact O-CB 3.4Å; Q363-I367 VanDerWaalsContact O-CG1 3.24Å; Q363-I367 WeakPolarHBondContact O-CG1 3.46Å; Q363-I367 PolarHBondContact O-N 3.1Å
364Y53.3Low63.3Low141 Ų14190.3 Ų90.355%0.55348%0.477SS*.Hα-helixtrans-58.4-37.8173.3-68.8-56.1000111.1H360 I361 I368H360-Y364 VanDerWaalsContact C-CD2 3.42Å; H360-Y364 HydrophobicContact CB-CD2 4.13Å; H360-Y364 HydrophobicContact CB-CE2 3.87Å; H360-Y364 WeakPolarHBondContact O-CD2 3.38Å; H360-Y364 PolarHBondContact O-N 2.71Å; I361-Y364 CarbonylContact O-C 3.57Å; I361-Y364 PolarHBondContact O-N 3.47Å; Y364-I368 WeakPolarHBondContact O-CB 3.26Å; Y364-I368 VanDerWaalsContact O-CD1 3.31Å; Y364-I368 WeakPolarHBondContact O-CD1 3.4Å; Y364-I368 WeakPolarHBondContact O-CG1 3.46Å; Y364-I368 PolarHBondContact O-N 2.94Å
365T62.7Low63.3Low90 Ų9091.1 Ų91.155%0.55248%0.481SS*.Hα-helixtrans-69.2-36.2173.847.50000113.5I361 A362 Q363 A369I361-T365 PolarHBondContact O-N 2.85Å; I361-T365 PolarHBondContact O-OG1 3.43Å; I361-T365 VanDerWaalsContact O-OG1 3.11Å; A362-T365 WeakPolarHBondContact CA-OG1 3.46Å; A362-T365 PolarHBondContact O-OG1 2.96Å; Q363-T365 VanDerWaalsContact C-N 3.25Å; Q363-T365 PolarHBondContact O-N 3.37Å; T365-A369 VanDerWaalsContact O-CB 3.31Å; T365-A369 WeakPolarHBondContact O-CB 3.47Å; T365-A369 PolarHBondContact O-N 2.63Å
366S64.9Low63.8Low59 Ų5994.4 Ų94.441%0.41350%0.495SS..Hα-helixtrans-64.9-59171.3-166.50000109.7A362 Q363 I368 A369 D370A362-S366 PolarHBondContact O-N 3.12Å; Q363-S366 CarbonylContact O-C 3.57Å; Q363-S366 PolarHBondContact O-N 3.36Å; Q363-S366 VanDerWaalsContact O-N 3.11Å; S366-I368 PolarHBondContact O-N 3.42Å; S366-I368 VanDerWaalsContact O-N 3.15Å; S366-A369 CarbonylContact O-C 3.59Å; S366-A369 WeakPolarHBondContact O-CA 3.35Å; S366-A369 WeakPolarHBondContact O-CB 3.11Å; S366-A369 PolarHBondContact O-N 2.88Å; S366-D370 WeakPolarHBondContact O-CB 3.45Å; S366-D370 PolarHBondContact O-N 2.94Å; S366-D370 PolarHBondContact OG-OD2 3.1Å
367I66.2Low65.2Low75 Ų7593.7 Ų93.739%0.38548%0.483SS..Hα-helixtrans-55.4-37.5-179.3-65.4164.9000111.4Q363 L371Q363-I367 HydrophobicContact CB-CD1 4.14Å; Q363-I367 VanDerWaalsContact O-CB 3.29Å; Q363-I367 WeakPolarHBondContact O-CB 3.4Å; Q363-I367 VanDerWaalsContact O-CG1 3.24Å; Q363-I367 WeakPolarHBondContact O-CG1 3.46Å; Q363-I367 PolarHBondContact O-N 3.1Å; I367-L371 HydrophobicContact CG2-CD1 3.67Å; I367-L371 HydrophobicContact CG2-CG 4.2Å; I367-L371 WeakPolarHBondContact O-CB 3.43Å; I367-L371 WeakPolarHBondContact O-CD1 3.41Å; I367-L371 WeakPolarHBondContact O-CG 3.46Å; I367-L371 PolarHBondContact O-N 2.99Å
368I73.6Confident66.5Low78 Ų7894.1 Ų94.140%0.448%0.483SS..Hα-helixtrans-70.9-36.6173.5-71.5165.5000111.7Y364 S366 R372Y364-I368 WeakPolarHBondContact O-CB 3.26Å; Y364-I368 VanDerWaalsContact O-CD1 3.31Å; Y364-I368 WeakPolarHBondContact O-CD1 3.4Å; Y364-I368 WeakPolarHBondContact O-CG1 3.46Å; Y364-I368 PolarHBondContact O-N 2.94Å; S366-I368 PolarHBondContact O-N 3.42Å; S366-I368 VanDerWaalsContact O-N 3.15Å; I368-R372 HydrophobicContact CG2-CG 4.36Å; I368-R372 WeakPolarHBondContact O-CB 3.4Å; I368-R372 WeakPolarHBondContact O-CD 3.26Å; I368-R372 WeakPolarHBondContact O-CG 3.43Å; I368-R372 PolarHBondContact O-N 3.5Å
369A78.7Confident68.3Low57 Ų5796.8 Ų96.847%0.47149%0.485SS..Hα-helixtrans-68.6-44.2173.300000111.8T365 S366 R372 G373T365-A369 VanDerWaalsContact O-CB 3.31Å; T365-A369 WeakPolarHBondContact O-CB 3.47Å; T365-A369 PolarHBondContact O-N 2.63Å; S366-A369 CarbonylContact O-C 3.59Å; S366-A369 WeakPolarHBondContact O-CA 3.35Å; S366-A369 WeakPolarHBondContact O-CB 3.11Å; S366-A369 PolarHBondContact O-N 2.88Å; A369-R372 PolarHBondContact O-N 3.2Å; A369-G373 PolarHBondContact O-N 3.39Å
370D75.2Confident69.9Low98 Ų9890.9 Ų90.952%0.52447%0.47SS..Hα-helixtrans-63.4-47.6177.6-60.8-44.2000110.5S366 G373 E374S366-D370 WeakPolarHBondContact O-CB 3.45Å; S366-D370 PolarHBondContact O-N 2.94Å; S366-D370 PolarHBondContact OG-OD2 3.1Å; D370-G373 PolarHBondContact O-N 3.23Å; D370-E374 VanDerWaalsContact O-CB 3.3Å; D370-E374 WeakPolarHBondContact O-CB 3.36Å; D370-E374 PolarHBondContact O-N 2.9Å
371L78.4Confident71.4Confident96 Ų9692.8 Ų92.850%0.50348%0.477SS..Hα-helixtrans-65.3-38.1173.2-72.8169.6000112.4I367 E374 I375I367-L371 HydrophobicContact CG2-CD1 3.67Å; I367-L371 HydrophobicContact CG2-CG 4.2Å; I367-L371 WeakPolarHBondContact O-CB 3.43Å; I367-L371 WeakPolarHBondContact O-CD1 3.41Å; I367-L371 WeakPolarHBondContact O-CG 3.46Å; I367-L371 PolarHBondContact O-N 2.99Å; L371-E374 PolarHBondContact O-N 3.46Å; L371-I375 VanDerWaalsContact O-CB 3.25Å; L371-I375 WeakPolarHBondContact O-CB 3.31Å; L371-I375 WeakPolarHBondContact O-CD1 3.45Å; L371-I375 WeakPolarHBondContact O-CG1 3.38Å; L371-I375 PolarHBondContact O-N 3.39Å
372R83.6Confident72.5Confident178 Ų17893.9 Ų93.967%0.67248%0.483SS*.Hα-helixtrans-65.3-43.2174.8-80.1169.5179.4-174.50.3111.3I368 A369 I375 Q376I368-R372 HydrophobicContact CG2-CG 4.36Å; I368-R372 WeakPolarHBondContact O-CB 3.4Å; I368-R372 WeakPolarHBondContact O-CD 3.26Å; I368-R372 WeakPolarHBondContact O-CG 3.43Å; I368-R372 PolarHBondContact O-N 3.5Å; A369-R372 PolarHBondContact O-N 3.2Å; R372-I375 PolarHBondContact O-N 2.98Å; R372-Q376 VanDerWaalsContact O-CB 3.3Å; R372-Q376 WeakPolarHBondContact O-CB 3.34Å; R372-Q376 PolarHBondContact O-N 3.03Å
373G85.4Confident73.9Confident38 Ų3896 Ų9639%0.39249%0.486SS..Hα-helixtrans-61.5-44.2174.400000111.8A369 D370 Q376 R377A369-G373 PolarHBondContact O-N 3.39Å; D370-G373 PolarHBondContact O-N 3.23Å; G373-Q376 PolarHBondContact O-N 2.78Å; G373-R377 VanDerWaalsContact O-CB 3.32Å; G373-R377 WeakPolarHBondContact O-CB 3.45Å; G373-R377 PolarHBondContact O-N 3.02Å
374E76.3Confident74.9Confident81 Ų8197 Ų9738%0.37949%0.49SS..Hα-helixtrans-68.1-42.1177.9-175.466.5173.100112.2D370 L371 Q376 R377 L378D370-E374 VanDerWaalsContact O-CB 3.3Å; D370-E374 WeakPolarHBondContact O-CB 3.36Å; D370-E374 PolarHBondContact O-N 2.9Å; L371-E374 PolarHBondContact O-N 3.46Å; E374-Q376 VanDerWaalsContact C-N 3.32Å; E374-Q376 PolarHBondContact O-N 2.8Å; E374-R377 PolarHBondContact O-N 2.9Å; E374-R377 IonicContact OE1-CZ 3.82Å; E374-R377 IonicContact OE1-NE 3.22Å; E374-R377 IonicContact OE1-NH2 3.9Å; E374-R377 PolarHBondContact OE1-NH2 3.14Å; E374-R377 IonicContact OE2-CZ 2.74Å; E374-R377 VanDerWaalsContact OE2-CZ 3.23Å; E374-R377 IonicContact OE2-NE 3.84Å; E374-R377 PolarHBondContact OE2-NE 3.38Å; E374-R377 IonicContact OE2-NH2 3.45Å; E374-R377 PolarHBondContact OE2-NH2 3.33Å; E374-R377 VanDerWaalsContact OE2-NH2 3.11Å; E374-L378 HydrophobicContact CG-CD1 4.06Å; E374-L378 WeakPolarHBondContact O-CB 3.38Å; E374-L378 VanDerWaalsContact O-CG 3.23Å; E374-L378 WeakPolarHBondContact O-CG 3.4Å; E374-L378 PolarHBondContact O-N 3.15Å
375I79.3Confident75.1Confident92 Ų9297.2 Ų97.247%0.47250%0.496SS..Hα-helixtrans-59.7-42.9171.6-73.8162.9000110.5L371 R372 L378 K379L371-I375 VanDerWaalsContact O-CB 3.25Å; L371-I375 WeakPolarHBondContact O-CB 3.31Å; L371-I375 WeakPolarHBondContact O-CD1 3.45Å; L371-I375 WeakPolarHBondContact O-CG1 3.38Å; L371-I375 PolarHBondContact O-N 3.39Å; R372-I375 PolarHBondContact O-N 2.98Å; I375-L378 PolarHBondContact O-N 3.42Å; I375-K379 HydrophobicContact CG2-CD 4.35Å; I375-K379 WeakPolarHBondContact O-CB 3.39Å; I375-K379 WeakPolarHBondContact O-CG 3.45Å; I375-K379 PolarHBondContact O-N 3.32Å
376Q85.2Confident74.6Confident136 Ų13696.7 Ų96.764%0.63650%0.501SS*.Hα-helixtrans-67.4-40.1177.3-169169.23.100111.6R372 G373 E374 L378 K379 C380R372-Q376 VanDerWaalsContact O-CB 3.3Å; R372-Q376 WeakPolarHBondContact O-CB 3.34Å; R372-Q376 PolarHBondContact O-N 3.03Å; G373-Q376 PolarHBondContact O-N 2.78Å; E374-Q376 VanDerWaalsContact C-N 3.32Å; E374-Q376 PolarHBondContact O-N 2.8Å; Q376-L378 VanDerWaalsContact C-N 3.33Å; Q376-L378 PolarHBondContact O-N 3.11Å; Q376-K379 PolarHBondContact O-N 2.74Å; Q376-C380 PolarHBondContact O-N 2.83Å
377R84Confident73.8Confident97 Ų9797.1 Ų97.137%0.36652%0.515SS..Hα-helixtrans-65-33.8174.1-163.9-161.958.957-11.2112.5G373 E374 K381G373-R377 VanDerWaalsContact O-CB 3.32Å; G373-R377 WeakPolarHBondContact O-CB 3.45Å; G373-R377 PolarHBondContact O-N 3.02Å; E374-R377 PolarHBondContact O-N 2.9Å; E374-R377 IonicContact OE1-CZ 3.82Å; E374-R377 IonicContact OE1-NE 3.22Å; E374-R377 IonicContact OE1-NH2 3.9Å; E374-R377 PolarHBondContact OE1-NH2 3.14Å; E374-R377 IonicContact OE2-CZ 2.74Å; E374-R377 VanDerWaalsContact OE2-CZ 3.23Å; E374-R377 IonicContact OE2-NE 3.84Å; E374-R377 PolarHBondContact OE2-NE 3.38Å; E374-R377 IonicContact OE2-NH2 3.45Å; E374-R377 PolarHBondContact OE2-NH2 3.33Å; E374-R377 VanDerWaalsContact OE2-NH2 3.11Å; R377-K381 PolarHBondContact O-N 2.82Å
378L76.8Confident72.8Confident78 Ų78103.8 Ų103.841%0.40854%0.535SS..Hα-helixtrans-75.9-44.9176.3-73.3167.7000111.2E374 I375 Q376 C380 K381 I382E374-L378 HydrophobicContact CG-CD1 4.06Å; E374-L378 WeakPolarHBondContact O-CB 3.38Å; E374-L378 VanDerWaalsContact O-CG 3.23Å; E374-L378 WeakPolarHBondContact O-CG 3.4Å; E374-L378 PolarHBondContact O-N 3.15Å; I375-L378 PolarHBondContact O-N 3.42Å; Q376-L378 VanDerWaalsContact C-N 3.33Å; Q376-L378 PolarHBondContact O-N 3.11Å; L378-C380 PolarHBondContact O-N 2.74Å; L378-K381 PolarHBondContact O-N 2.68Å; L378-I382 WeakPolarHBondContact O-CG1 3.22Å; L378-I382 PolarHBondContact O-N 2.98Å
379K79.4Confident71.2Confident132 Ų132103.1 Ų103.157%0.57455%0.548SS*.Hα-helixtrans-55.9-50.6172.7-75.4-174.4177.1-167.10111.5I375 Q376 K381 I382 D383I375-K379 HydrophobicContact CG2-CD 4.35Å; I375-K379 WeakPolarHBondContact O-CB 3.39Å; I375-K379 WeakPolarHBondContact O-CG 3.45Å; I375-K379 PolarHBondContact O-N 3.32Å; Q376-K379 PolarHBondContact O-N 2.74Å; K379-K381 PolarHBondContact O-N 3.3Å; K379-K381 VanDerWaalsContact O-N 3.16Å; K379-I382 PolarHBondContact O-N 3.41Å; K379-D383 VanDerWaalsContact O-CG 3.3Å; K379-D383 PolarHBondContact O-N 3.32Å
380C78.2Confident69.3Low61 Ų61109.8 Ų109.841%0.41257%0.569SS.*Hα-helixtrans-57.6-32.3175.2-76.90000113.9Q376 L378 Q384Q376-C380 PolarHBondContact O-N 2.83Å; L378-C380 PolarHBondContact O-N 2.74Å; C380-Q384 VanDerWaalsContact O-CB 3.27Å; C380-Q384 WeakPolarHBondContact O-CB 3.36Å; C380-Q384 VanDerWaalsContact O-CD 3.27Å; C380-Q384 WeakPolarHBondContact O-CG 3.47Å; C380-Q384 PolarHBondContact O-N 2.81Å; C380-Q384 VanDerWaalsContact O-N 3.11Å; C380-Q384 PolarHBondContact O-NE2 3.38Å
381K75.6Confident67.3Low114 Ų114109.2 Ų109.250%0.49658%0.578SS.*Hα-helixtrans-72.8-38.8173.6-80.2-170179177.90112.5R377 L378 K379 Q384 Q385R377-K381 PolarHBondContact O-N 2.82Å; L378-K381 PolarHBondContact O-N 2.68Å; K379-K381 PolarHBondContact O-N 3.3Å; K379-K381 VanDerWaalsContact O-N 3.16Å; K381-Q384 PolarHBondContact O-N 3.05Å; K381-Q385 WeakPolarHBondContact O-CB 3.33Å; K381-Q385 WeakPolarHBondContact O-CG 3.42Å; K381-Q385 PolarHBondContact O-N 2.97Å
382I73.1Confident65.2Low105 Ų105116.5 Ų116.554%0.53860%0.598SS.*Hα-helixtrans-64.9-47.5175.9-67.3165000110L378 K379 Q384 Q385 A386L378-I382 WeakPolarHBondContact O-CG1 3.22Å; L378-I382 PolarHBondContact O-N 2.98Å; K379-I382 PolarHBondContact O-N 3.41Å; I382-Q384 VanDerWaalsContact C-N 3.32Å; I382-Q384 PolarHBondContact O-N 2.86Å; I382-Q385 PolarHBondContact O-N 2.94Å; I382-Q385 VanDerWaalsContact O-N 3.07Å; I382-A386 WeakPolarHBondContact O-CB 3.05Å; I382-A386 PolarHBondContact O-N 3.09Å
383D75.5Confident62.8Low107 Ų107111.5 Ų111.557%0.57260%0.603SS**Hα-helixtrans-61.3-39.4177.3-61.7-35.9000111.8K379 Q385 G387K379-D383 VanDerWaalsContact O-CG 3.3Å; K379-D383 PolarHBondContact O-N 3.32Å; D383-Q385 VanDerWaalsContact C-N 3.31Å; D383-Q385 PolarHBondContact O-N 3.34Å; D383-G387 PolarHBondContact O-N 2.99Å
384Q66.7Low60.3Low123 Ų123119.2 Ų119.258%0.57563%0.626SS**Hα-helixtrans-70.2-22.5175.3-74.8169.638.300114C380 K381 I382 R388C380-Q384 VanDerWaalsContact O-CB 3.27Å; C380-Q384 WeakPolarHBondContact O-CB 3.36Å; C380-Q384 VanDerWaalsContact O-CD 3.27Å; C380-Q384 WeakPolarHBondContact O-CG 3.47Å; C380-Q384 PolarHBondContact O-N 2.81Å; C380-Q384 VanDerWaalsContact O-N 3.11Å; C380-Q384 PolarHBondContact O-NE2 3.38Å; K381-Q384 PolarHBondContact O-N 3.05Å; I382-Q384 VanDerWaalsContact C-N 3.32Å; I382-Q384 PolarHBondContact O-N 2.86Å; Q384-R388 WeakPolarHBondContact O-CB 3.44Å; Q384-R388 WeakPolarHBondContact O-CD 3.39Å; Q384-R388 VanDerWaalsContact O-CG 3.3Å; Q384-R388 WeakPolarHBondContact O-CG 3.44Å
385Q58.2Low58.4Low147 Ų147123.1 Ų123.169%0.68765%0.648SS**Hα-helixtrans-86.4-45.9174.2-75.4177.2-21.500111.2K381 I382 D383 G387 R388 G389K381-Q385 WeakPolarHBondContact O-CB 3.33Å; K381-Q385 WeakPolarHBondContact O-CG 3.42Å; K381-Q385 PolarHBondContact O-N 2.97Å; I382-Q385 PolarHBondContact O-N 2.94Å; I382-Q385 VanDerWaalsContact O-N 3.07Å; D383-Q385 VanDerWaalsContact C-N 3.31Å; D383-Q385 PolarHBondContact O-N 3.34Å; Q385-G387 PolarHBondContact O-N 3.32Å; Q385-R388 PolarHBondContact O-N 2.87Å; Q385-G389 PolarHBondContact O-N 3.43Å
386A51.7Low56.4Low78 Ų78124.6 Ų124.665%0.64566%0.657SS**Hα-helixtrans-59.1-47.217400000111.5I382 R388 G389I382-A386 WeakPolarHBondContact O-CB 3.05Å; I382-A386 PolarHBondContact O-N 3.09Å; A386-R388 PolarHBondContact O-N 3.49Å; A386-R388 VanDerWaalsContact O-N 3.13Å; A386-G389 PolarHBondContact O-N 2.88Å
387G49.5Very low54Low69 Ų69129 Ų12971%0.71167%0.668SS**THydrogen-bonded Turntrans-70.8-0.4178.300000115.8D383 Q385D383-G387 PolarHBondContact O-N 2.99Å; Q385-G387 PolarHBondContact O-N 3.32Å
388R45.3Very low51.5Low214 Ų214127.5 Ų127.581%0.80868%0.683SS**THydrogen-bonded Turntrans-118.40.4177.1-73.2-174173-146.7-1.2114.4Q384 Q385 A386Q384-R388 WeakPolarHBondContact O-CB 3.44Å; Q384-R388 WeakPolarHBondContact O-CD 3.39Å; Q384-R388 VanDerWaalsContact O-CG 3.3Å; Q384-R388 WeakPolarHBondContact O-CG 3.44Å; Q385-R388 PolarHBondContact O-N 2.87Å; A386-R388 PolarHBondContact O-N 3.49Å; A386-R388 VanDerWaalsContact O-N 3.13Å
389G39.4Very low49.5Very low64 Ų64131 Ų13166%0.6670%0.702SS**SBendtrans-79.4-11.8-17700000116.5Q385 A386Q385-G389 PolarHBondContact O-N 3.43Å; A386-G389 PolarHBondContact O-N 2.88Å
390Q37.8Very low47.6Very low198 Ų198131.8 Ų131.893%0.92571%0.711SS**SBendtrans-132.838.8-168.2-67.4-169.9-1600115
391A34.3Very low46Very low85 Ų85139 Ų13970%0.70273%0.73SS**SBendtrans-149.5141.1169.200000113.6
392R34.6Very low44.4Very low249 Ų249141.3 Ų141.394%0.9474%0.742SS**  trans58.596.9168-67.6-178.3167.4-176.1-5.1117.2
393G31.7Very low43.1Very low74 Ų74142.5 Ų142.576%0.76375%0.748SS**  trans-81.1-177.8147.300000112.6
394K33.6Very low41.3Very low200 Ų200143.8 Ų143.887%0.8775%0.751SS**  trans76.2124.1179.5-69.4-173.9173.2-178.20117.6
395L35.8Very low40.2Very low163 Ų163140.1 Ų140.185%0.85374%0.741SS**  trans70.1137.4155.7-59.3165.7000116.7
396D37.3Very low39.3Very low123 Ų123140.4 Ų140.466%0.65874%0.743SS**  cis-155.5173.5-14.3-169.321.3000109.3
397R35Very low38.8Very low227 Ų227142.5 Ų142.586%0.85775%0.747SS**  trans23.4133.1161.5-72.8164.8178-143.5-5.5120.3
398G32.4Very low38.4Very low67 Ų67146.5 Ų146.569%0.69175%0.747SS**  cis173.1-173.84.600000113.7
399D35Very low38.1Very low152 Ų152142.6 Ų142.681%0.81374%0.742SS**  trans66.4164.3169.8-61.7-28.8000121.2R401D399-R401 PolarHBondContact O-N 3.14Å
400I39.3Very low38.2Very low147 Ų147148.1 Ų148.175%0.75475%0.75SS**SBendtrans66.5-13.3179.1-51.2179.1000116.6H402I400-H402 PolarHBondContact O-N 3.47Å
401R44.2Very low37.7Very low213 Ų213143.9 Ų143.980%0.80474%0.742SS**Hα-helixtrans-63.6-12.1174.1-65.7-172-175.3178.42.9115.5D399 I403 A405D399-R401 PolarHBondContact O-N 3.14Å; R401-I403 PolarHBondContact O-N 2.94Å; R401-A405 PolarHBondContact O-N 2.75Å
402H42.2Very low37.5Very low162 Ų162143.3 Ų143.375%0.7574%0.744SS**Hα-helixtrans-75.6-16.1-173.7-149.3-64.7000114.9I400I400-H402 PolarHBondContact O-N 3.47Å
403I46.1Very low37.5Very low131 Ų131140.3 Ų140.367%0.67274%0.741SS**Hα-helixtrans-93.1-28.6176.7-62.4173.3000111.4R401 A405R401-I403 PolarHBondContact O-N 2.94Å; I403-A405 VanDerWaalsContact C-N 3.29Å; I403-A405 PolarHBondContact O-N 2.81Å
404Q37.6Very low37.8Very low134 Ų134145.6 Ų145.663%0.62675%0.746SS**Hα-helixtrans-76.2-17.6174.9-71.3-178.7-34.800112.9Q408Q404-Q408 WeakPolarHBondContact O-CG 3.43Å
405A42.7Very low38.6Very low46 Ų46137.7 Ų137.738%0.3872%0.721SS.*THydrogen-bonded Turntrans-68.7-37.717700000113.4R401 I403 V407 Q408R401-A405 PolarHBondContact O-N 2.75Å; I403-A405 VanDerWaalsContact C-N 3.29Å; I403-A405 PolarHBondContact O-N 2.81Å; A405-V407 VanDerWaalsContact C-N 3.32Å; A405-V407 PolarHBondContact O-N 2.77Å; A405-Q408 PolarHBondContact O-N 2.72Å
406E39.2Very low39.5Very low153 Ų153134.8 Ų134.872%0.71571%0.712SS**G310 helixtrans-71.5-26.1-179.5-70.5-176.912800112.9Q408E406-Q408 VanDerWaalsContact C-N 3.31Å
407V42Very low40.7Very low122 Ų122132.3 Ų132.374%0.73971%0.709SS**G310 helixtrans-80-13.8175.8-172.90000112.1A405A405-V407 VanDerWaalsContact C-N 3.32Å; A405-V407 PolarHBondContact O-N 2.77Å
408Q41.1Very low42.2Very low153 Ų153126.8 Ų126.872%0.71569%0.693SS**G310 helixtrans-95.55.4-176.7-73.9179.9-15.200114.4Q404 A405 E406Q404-Q408 WeakPolarHBondContact O-CG 3.43Å; A405-Q408 PolarHBondContact O-N 2.72Å; E406-Q408 VanDerWaalsContact C-N 3.31Å
409L38.5Very low43.9Very low132 Ų132124.5 Ų124.569%0.69166%0.664SS**  trans-101.615.6-178.1-70.6171.6000115
410H41Very low45.7Very low180 Ų180119.2 Ų119.283%0.83365%0.646SS**  trans-123.364.5164.1-71-0.3000109.4
411S29.2Very low47.6Very low109 Ų109117.8 Ų117.876%0.76264%0.636SS**  61.179.381.182.70000114.2
412G28Very low49.2Very low72 Ų72108.3 Ų108.374%0.74260%0.601SS**  trans-179.984.2177.700000117.4
413Q35.9Very low51Low186 Ų186106.8 Ų106.887%0.86959%0.589SS**  trans69.9149.1159-58.6-176.7-13.300119.8G415Q413-G415 PolarHBondContact O-N 2.8Å
414E38.5Very low52.8Low185 Ų185107.3 Ų107.386%0.86459%0.589SS**SBendtrans-95.218.2-159.7-63.2149.8122.200114.5P416E414-P416 WeakPolarHBondContact O-CD 3.4Å
415G50Low55Low35 Ų35105.4 Ų105.436%0.36158%0.579SS.*THydrogen-bonded Turntrans-72-22.1-163.200000121.3Q413 A417 M419Q413-G415 PolarHBondContact O-N 2.8Å; G415-A417 VanDerWaalsContact C-N 3.35Å; G415-A417 PolarHBondContact O-N 3.03Å; G415-M419 WeakPolarHBondContact O-CG 3.28Å; G415-M419 PolarHBondContact O-N 2.84Å
416P55.4Low57Low102 Ų102103.2 Ų103.266%0.66256%0.561SS**Hα-helixtrans-71.1-24.9-163.526.1-34.1000114.8E414 G420E414-P416 WeakPolarHBondContact O-CD 3.4Å; P416-G420 PolarHBondContact O-N 2.67Å
417A61.4Low59.2Low70 Ų7098 Ų9858%0.57954%0.538SS*.Hα-helixtrans-75.4-46.7-17800000112.8G415 M419 G420 Q421G415-A417 VanDerWaalsContact C-N 3.35Å; G415-A417 PolarHBondContact O-N 3.03Å; A417-M419 VanDerWaalsContact C-N 3.3Å; A417-M419 PolarHBondContact O-N 3.07Å; A417-G420 PolarHBondContact O-N 2.68Å; A417-Q421 PolarHBondContact O-N 2.99Å
418E65.6Low61.3Low112 Ų11294.7 Ų94.752%0.52352%0.52SS..Hα-helixtrans-62.4-39.2176.5-66.5-159-178.400111.6G420 Q421 L422 R552E418-G420 VanDerWaalsContact C-N 3.31Å; E418-G420 PolarHBondContact O-N 2.77Å; E418-Q421 PolarHBondContact O-N 2.85Å; E418-L422 PolarHBondContact O-N 2.68Å; E418-R552 IonicContact OE2-NH1 2.81Å; E418-R552 PolarHBondContact OE2-NH1 3.3Å
419M68.7Low63.5Low18 Ų1887.4 Ų87.49%0.08949%0.486CS..Hα-helixtrans-64.9-33.4-179.7-71.6-53.2-51.100113.2G415 A417 L422 R423 I553 L562G415-M419 WeakPolarHBondContact O-CG 3.28Å; G415-M419 PolarHBondContact O-N 2.84Å; A417-M419 VanDerWaalsContact C-N 3.3Å; A417-M419 PolarHBondContact O-N 3.07Å; M419-L422 HydrophobicContact CE-CD2 4.36Å; M419-L422 HydrophobicContact SD-CD2 4.32Å; M419-R423 WeakPolarHBondContact O-CB 3.38Å; M419-R423 PolarHBondContact O-N 3.33Å; M419-R423 VanDerWaalsContact O-N 3.11Å; M419-I553 HydrophobicContact CE-CD1 4.15Å; M419-I553 HydrophobicContact CE-CG1 3.66Å; M419-I553 HydrophobicContact SD-CG1 4.04Å; M419-L562 HydrophobicContact CE-CD1 3.26Å
420G73.1Confident65.8Low42 Ų4281.6 Ų81.643%0.43346%0.455SS..Hα-helixtrans-62.1-47.8170.800000112.2P416 A417 E418 R423 E424P416-G420 PolarHBondContact O-N 2.67Å; A417-G420 PolarHBondContact O-N 2.68Å; E418-G420 VanDerWaalsContact C-N 3.31Å; E418-G420 PolarHBondContact O-N 2.77Å; G420-R423 PolarHBondContact O-N 2.91Å; G420-E424 PolarHBondContact O-N 2.81Å
421Q79.2Confident68Low117 Ų11778.8 Ų78.855%0.54744%0.442SS..Hα-helixtrans-64.5-42.6178.8-62.6178.211.800112.1A417 E418 R423 E424 Q425A417-Q421 PolarHBondContact O-N 2.99Å; E418-Q421 PolarHBondContact O-N 2.85Å; Q421-R423 PolarHBondContact O-N 3.07Å; Q421-E424 PolarHBondContact O-N 2.83Å; Q421-Q425 WeakPolarHBondContact O-CB 3.38Å; Q421-Q425 VanDerWaalsContact O-CG 3.29Å; Q421-Q425 WeakPolarHBondContact O-CG 3.33Å; Q421-Q425 PolarHBondContact O-N 2.78Å
422L77.4Confident70.8Confident13 Ų1376 Ų767%0.06842%0.417CS..Hα-helixtrans-63.2-41.5178.7-175.260000111.6E418 M419 Q425 L426 L545 L549 R552E418-L422 PolarHBondContact O-N 2.68Å; M419-L422 HydrophobicContact CE-CD2 4.36Å; M419-L422 HydrophobicContact SD-CD2 4.32Å; L422-Q425 PolarHBondContact O-N 2.8Å; L422-L426 WeakPolarHBondContact O-CB 3.36Å; L422-L426 PolarHBondContact O-N 3.29Å; L422-L545 HydrophobicContact CD1-CD2 4.31Å; L422-L549 HydrophobicContact CD2-CD2 4.05Å; L422-L549 HydrophobicContact CG-CD2 4.33Å; L422-R552 HydrophobicContact CD2-CB 4.25Å
423R79.9Confident73.7Confident130 Ų13073 Ų7349%0.49138%0.384SS..Hα-helixtrans-62.2-44.2173.8-179.8177.4174.8-85.40.2111.8M419 G420 Q421 L426 I427 L562M419-R423 WeakPolarHBondContact O-CB 3.38Å; M419-R423 PolarHBondContact O-N 3.33Å; M419-R423 VanDerWaalsContact O-N 3.11Å; G420-R423 PolarHBondContact O-N 2.91Å; Q421-R423 PolarHBondContact O-N 3.07Å; R423-L426 PolarHBondContact O-N 2.8Å; R423-I427 HydrophobicContact CG-CD1 3.9Å; R423-I427 WeakPolarHBondContact O-CB 3.45Å; R423-I427 VanDerWaalsContact O-CG1 3.23Å; R423-I427 WeakPolarHBondContact O-CG1 3.35Å; R423-I427 PolarHBondContact O-N 3.11Å; R423-L562 HydrophobicContact CB-CD2 4.22Å; R423-L562 HydrophobicContact CG-CD2 4.37Å
424E84.1Confident76.1Confident143 Ų14364.6 Ų64.667%0.66835%0.345SS*.Hα-helixtrans-66.2-41.4178.9-172.7165.9-148.300112.4G420 Q421 L426 I427 S428G420-E424 PolarHBondContact O-N 2.81Å; Q421-E424 PolarHBondContact O-N 2.83Å; E424-L426 PolarHBondContact O-N 2.92Å; E424-I427 PolarHBondContact O-N 3Å; E424-S428 WeakPolarHBondContact O-CB 3.41Å; E424-S428 PolarHBondContact O-N 2.84Å
425Q84.3Confident78.6Confident93 Ų9359.8 Ų59.844%0.43533%0.325SS..Hα-helixtrans-61.8-41.5174.3-72.217532.500112.5Q421 L422 S428 A429 L545Q421-Q425 WeakPolarHBondContact O-CB 3.38Å; Q421-Q425 VanDerWaalsContact O-CG 3.29Å; Q421-Q425 WeakPolarHBondContact O-CG 3.33Å; Q421-Q425 PolarHBondContact O-N 2.78Å; L422-Q425 PolarHBondContact O-N 2.8Å; Q425-S428 PolarHBondContact O-N 2.77Å; Q425-A429 WeakPolarHBondContact O-CB 3.48Å; Q425-A429 PolarHBondContact O-N 3.05Å; Q425-L545 HydrophobicContact CB-CD1 4.48Å; Q425-L545 HydrophobicContact CB-CD2 4.47Å
426L84.4Confident80.5Confident0 Ų058.3 Ų58.30%031%0.309CS..Hα-helixtrans-67.4-45.1177.9-168.964.3000111.4L422 R423 E424 S428 A429 F430 L545 E546 L549 L562 L565L422-L426 WeakPolarHBondContact O-CB 3.36Å; L422-L426 PolarHBondContact O-N 3.29Å; R423-L426 PolarHBondContact O-N 2.8Å; E424-L426 PolarHBondContact O-N 2.92Å; L426-S428 PolarHBondContact O-N 3.26Å; L426-A429 PolarHBondContact O-N 2.83Å; L426-F430 HydrophobicContact CD1-CD1 4.17Å; L426-F430 HydrophobicContact CD1-CE1 3.49Å; L426-F430 VanDerWaalsContact CD1-CE1 3.49Å; L426-F430 HydrophobicContact CD1-CE2 4.04Å; L426-F430 HydrophobicContact CD1-CZ 3.43Å; L426-F430 VanDerWaalsContact CD1-CZ 3.43Å; L426-F430 HydrophobicContact CD2-CE2 4.1Å; L426-F430 HydrophobicContact CD2-CZ 4.1Å; L426-F430 HydrophobicContact CG-CD2 4.22Å; L426-F430 HydrophobicContact CG-CE1 4.07Å; L426-F430 HydrophobicContact CG-CE2 3.73Å; L426-F430 HydrophobicContact CG-CZ 3.67Å; L426-F430 WeakPolarHBondContact O-CB 3.36Å; L426-F430 VanDerWaalsContact O-CG 3.26Å; L426-F430 WeakPolarHBondContact O-CG 3.47Å; L426-F430 PolarHBondContact O-N 3.3Å; L426-L545 HydrophobicContact CD1-CB 3.79Å; L426-L545 HydrophobicContact CD1-CD1 4.28Å; L426-E546 HydrophobicContact CD1-CG 4.41Å; L426-L549 HydrophobicContact CD2-CD1 4.28Å; L426-L549 HydrophobicContact CD2-CD2 4.37Å; L426-L562 HydrophobicContact CD2-CD2 3.95Å; L426-L565 HydrophobicContact CD2-CD2 4.02Å; L426-L565 HydrophobicContact CG-CD2 4.34Å
427I84.7Confident82Confident45 Ų4554.6 Ų54.623%0.23128%0.282CS..Hα-helixtrans-57.2-46.9173.6-70.3171.8000110.8R423 E424 F430 H431 L565R423-I427 HydrophobicContact CG-CD1 3.9Å; R423-I427 WeakPolarHBondContact O-CB 3.45Å; R423-I427 VanDerWaalsContact O-CG1 3.23Å; R423-I427 WeakPolarHBondContact O-CG1 3.35Å; R423-I427 PolarHBondContact O-N 3.11Å; E424-I427 PolarHBondContact O-N 3Å; I427-F430 PolarHBondContact O-N 3.43Å; I427-H431 PolarHBondContact O-N 3.34Å; I427-H431 PolarHBondContact O-ND1 2.89Å; I427-L565 HydrophobicContact CD1-CD2 4.33Å; I427-L565 HydrophobicContact CG1-CD1 4.19Å; I427-L565 HydrophobicContact CG1-CD2 3.65Å
428S87Confident83.3Confident52 Ų5256.9 Ų56.936%0.36428%0.275SS..Hα-helixtrans-59-49.4176.9-172.30000111.9E424 Q425 L426 F430 H431 E432E424-S428 WeakPolarHBondContact O-CB 3.41Å; E424-S428 PolarHBondContact O-N 2.84Å; Q425-S428 PolarHBondContact O-N 2.77Å; L426-S428 PolarHBondContact O-N 3.26Å; S428-F430 VanDerWaalsContact C-N 3.32Å; S428-F430 PolarHBondContact O-N 2.87Å; S428-H431 PolarHBondContact O-N 2.84Å; S428-E432 WeakPolarHBondContact O-CB 3.14Å; S428-E432 VanDerWaalsContact O-CG 3.31Å; S428-E432 WeakPolarHBondContact O-CG 3.44Å; S428-E432 PolarHBondContact O-N 2.97Å; S428-E432 PolarHBondContact OG-OE1 2.96Å
429A86.3Confident84.5Confident0 Ų058.2 Ų58.20%028%0.276CS..Hα-helixtrans-62.2-38.9-179.300000112.3Q425 L426 Q433 R541 L545Q425-A429 WeakPolarHBondContact O-CB 3.48Å; Q425-A429 PolarHBondContact O-N 3.05Å; L426-A429 PolarHBondContact O-N 2.83Å; A429-Q433 VanDerWaalsContact O-CB 3.31Å; A429-Q433 WeakPolarHBondContact O-CB 3.32Å; A429-Q433 PolarHBondContact O-N 2.82Å; A429-R541 HydrophobicContact CB-CG 4.47Å; A429-L545 HydrophobicContact CB-CD1 3.83Å
430F87.6Confident85.4Confident10 Ų1058 Ų584%0.04428%0.275CS..Hα-helixtrans-67.4-43.7176.8-69.9-5.1000112.2L426 I427 S428 Q433 M434 E546 L565 H569L426-F430 HydrophobicContact CD1-CD1 4.17Å; L426-F430 HydrophobicContact CD1-CE1 3.49Å; L426-F430 VanDerWaalsContact CD1-CE1 3.49Å; L426-F430 HydrophobicContact CD1-CE2 4.04Å; L426-F430 HydrophobicContact CD1-CZ 3.43Å; L426-F430 VanDerWaalsContact CD1-CZ 3.43Å; L426-F430 HydrophobicContact CD2-CE2 4.1Å; L426-F430 HydrophobicContact CD2-CZ 4.1Å; L426-F430 HydrophobicContact CG-CD2 4.22Å; L426-F430 HydrophobicContact CG-CE1 4.07Å; L426-F430 HydrophobicContact CG-CE2 3.73Å; L426-F430 HydrophobicContact CG-CZ 3.67Å; L426-F430 WeakPolarHBondContact O-CB 3.36Å; L426-F430 VanDerWaalsContact O-CG 3.26Å; L426-F430 WeakPolarHBondContact O-CG 3.47Å; L426-F430 PolarHBondContact O-N 3.3Å; I427-F430 PolarHBondContact O-N 3.43Å; S428-F430 VanDerWaalsContact C-N 3.32Å; S428-F430 PolarHBondContact O-N 2.87Å; F430-Q433 PolarHBondContact O-N 2.8Å; F430-M434 PolarHBondContact O-N 3.18Å; F430-E546 VanDerWaalsContact CE1-OE1 3.31Å; F430-E546 WeakPolarHBondContact CE1-OE1 3.44Å; F430-E546 HydrophobicContact CZ-CG 4.47Å; F430-L565 HydrophobicContact CD2-CG 4.27Å; F430-L565 HydrophobicContact CE2-CG 4.1Å; F430-H569 HydrophobicContact CD1-CB 4.47Å; F430-H569 AromaticContact CD1-CD2 3.38Å; F430-H569 WeakPolarHBondContact CD1-CD2 3.3Å; F430-H569 AromaticContact CD1-CE1 3.54Å; F430-H569 AromaticContact CD1-CG 3.76Å; F430-H569 AromaticContact CD1-ND1 3.89Å; F430-H569 AromaticContact CD1-NE2 3.24Å; F430-H569 WeakPolarHBondContact CD1-NE2 3.43Å; F430-H569 HydrophobicContact CD2-CB 3.53Å; F430-H569 AromaticContact CD2-CG 3.68Å; F430-H569 HydrophobicContact CE1-CB 4.5Å; F430-H569 AromaticContact CE1-CD2 3.32Å; F430-H569 WeakPolarHBondContact CE1-CD2 3.5Å; F430-H569 AromaticContact CE1-CG 3.98Å; F430-H569 AromaticContact CE1-NE2 3.53Å; F430-H569 HydrophobicContact CE2-CB 3.57Å; F430-H569 AromaticContact CE2-CD2 3.98Å; F430-H569 AromaticContact CE2-CG 3.91Å; F430-H569 HydrophobicContact CG-CB 3.98Å; F430-H569 AromaticContact CG-CD2 3.73Å; F430-H569 AromaticContact CG-CE1 3.66Å; F430-H569 AromaticContact CG-CG 3.58Å; F430-H569 AromaticContact CG-ND1 3.58Å; F430-H569 AromaticContact CG-NE2 3.78Å; F430-H569 HydrophobicContact CZ-CB 4.07Å; F430-H569 AromaticContact CZ-CD2 3.62Å
431H86.7Confident86.1Confident121 Ų12157.2 Ų57.256%0.5626%0.261SS*.Hα-helixtrans-62.1-48175.2-77.768.4000111.8I427 S428 Q433 M434 D435I427-H431 PolarHBondContact O-N 3.34Å; I427-H431 PolarHBondContact O-ND1 2.89Å; S428-H431 PolarHBondContact O-N 2.84Å; H431-Q433 VanDerWaalsContact C-N 3.25Å; H431-Q433 PolarHBondContact O-N 2.88Å; H431-M434 PolarHBondContact O-N 3.42Å; H431-M434 VanDerWaalsContact O-N 3.15Å; H431-D435 PolarHBondContact O-N 2.78Å
432E89.3Confident86.6Confident50 Ų5056.3 Ų56.323%0.23426%0.257CS..Hα-helixtrans-56.6-39.9175.2-71.3172.7-120.500111.9S428 V436 L538 R541S428-E432 WeakPolarHBondContact O-CB 3.14Å; S428-E432 VanDerWaalsContact O-CG 3.31Å; S428-E432 WeakPolarHBondContact O-CG 3.44Å; S428-E432 PolarHBondContact O-N 2.97Å; S428-E432 PolarHBondContact OG-OE1 2.96Å; E432-V436 WeakPolarHBondContact O-CG2 3.11Å; E432-V436 PolarHBondContact O-N 2.9Å; E432-V436 VanDerWaalsContact O-N 3.15Å; E432-L538 HydrophobicContact CB-CD1 4.04Å; E432-L538 HydrophobicContact CB-CD2 3.96Å; E432-L538 WeakPolarHBondContact OE2-CD2 3.4Å; E432-R541 IonicContact OE1-CZ 2.83Å; E432-R541 IonicContact OE1-NH1 2.82Å; E432-R541 PolarHBondContact OE1-NH1 2.8Å; E432-R541 IonicContact OE1-NH2 3.5Å; E432-R541 PolarHBondContact OE1-NH2 2.84Å; E432-R541 IonicContact OE2-NH1 3.44Å; E432-R541 PolarHBondContact OE2-NH1 2.88Å
433Q87.6Confident87.2Confident8 Ų856.3 Ų56.34%0.03726%0.257CS..Hα-helixtrans-69.5-36.9177.8-175.4-177.1-2700112.6A429 F430 H431 R437 L538 R539 H569A429-Q433 VanDerWaalsContact O-CB 3.31Å; A429-Q433 WeakPolarHBondContact O-CB 3.32Å; A429-Q433 PolarHBondContact O-N 2.82Å; F430-Q433 PolarHBondContact O-N 2.8Å; H431-Q433 VanDerWaalsContact C-N 3.25Å; H431-Q433 PolarHBondContact O-N 2.88Å; Q433-R437 PolarHBondContact O-N 3Å; Q433-R437 VanDerWaalsContact O-N 3.12Å; Q433-L538 HydrophobicContact CB-CB 4.38Å; Q433-R539 HydrophobicContact CG-CG 4.37Å; Q433-H569 PolarHBondContact NE2-NE2 3.13Å; Q433-H569 PolarHBondContact OE1-CE1 3.29Å; Q433-H569 PolarHBondContact OE1-NE2 2.95Å
434M86.9Confident87.4Confident10 Ų1051.2 Ų51.25%0.04924%0.238CC..Hα-helixtrans-70-41.3174.7-72.8-44.491.600112.2F430 H431 V436 R437 R438 H569 E572 V573F430-M434 PolarHBondContact O-N 3.18Å; H431-M434 PolarHBondContact O-N 3.42Å; H431-M434 VanDerWaalsContact O-N 3.15Å; M434-V436 PolarHBondContact O-N 3.33Å; M434-R437 PolarHBondContact O-N 3.02Å; M434-R438 WeakPolarHBondContact O-CB 3.42Å; M434-R438 PolarHBondContact O-N 2.77Å; M434-H569 WeakPolarHBondContact CE-CE1 3.49Å; M434-E572 HydrophobicContact SD-CB 4.05Å; M434-V573 HydrophobicContact CE-CG2 4.31Å
435D90.3Very high87.5Confident85 Ų8546.2 Ų46.246%0.45522%0.216SC..Hα-helixtrans-62.5-40.9177.2-83-11000112.2H431 R438 R439H431-D435 PolarHBondContact O-N 2.78Å; D435-R438 PolarHBondContact O-N 2.81Å; D435-R439 WeakPolarHBondContact O-CG 3.41Å; D435-R439 PolarHBondContact O-N 3.43Å; D435-R439 VanDerWaalsContact O-N 3.09Å
436V90.2Very high87.8Confident4 Ų446 Ų462%0.02422%0.215CC..Hα-helixtrans-68.6-37.5175.3171.70000111.7E432 M434 L440 L531 R534 C535 L538E432-V436 WeakPolarHBondContact O-CG2 3.11Å; E432-V436 PolarHBondContact O-N 2.9Å; E432-V436 VanDerWaalsContact O-N 3.15Å; M434-V436 PolarHBondContact O-N 3.33Å; V436-L440 HydrophobicContact CG1-CD1 4.31Å; V436-L440 WeakPolarHBondContact O-CG 3.42Å; V436-L440 PolarHBondContact O-N 2.87Å; V436-L531 HydrophobicContact CG1-CB 4.48Å; V436-L531 HydrophobicContact CG1-CD2 4.16Å; V436-L531 WeakPolarHBondContact CG1-O 3.47Å; V436-L531 HydrophobicContact CG2-CD2 4.42Å; V436-R534 HydrophobicContact CG2-CG 4.22Å; V436-C535 HydrophobicContact CG1-CB 3.66Å; V436-L538 HydrophobicContact CB-CD1 4.23Å; V436-L538 HydrophobicContact CG2-CD1 3.69Å
437R87.3Confident88Confident24 Ų2447.6 Ų47.69%0.09123%0.228CC..Hα-helixtrans-62.4-41.9171.8-86.2-163.2170.5114.6-11.2112.5Q433 M434 L440 L441 V573 T576 E577Q433-R437 PolarHBondContact O-N 3Å; Q433-R437 VanDerWaalsContact O-N 3.12Å; M434-R437 PolarHBondContact O-N 3.02Å; R437-L440 PolarHBondContact O-N 3.38Å; R437-L441 PolarHBondContact O-N 2.93Å; R437-V573 VanDerWaalsContact CZ-CG1 3.45Å; R437-T576 WeakPolarHBondContact CD-OG1 3.4Å; R437-E577 IonicContact NH2-OE1 3.89Å; R437-E577 PolarHBondContact NH2-OE1 3.48Å
438R87.9Confident87.9Confident117 Ų11746.5 Ų46.544%0.44222%0.222SC..Hα-helixtrans-62.1-44.6178.9-162.3-177.5-52.3-69-4.6111.6M434 D435 L440 L441 E442M434-R438 WeakPolarHBondContact O-CB 3.42Å; M434-R438 PolarHBondContact O-N 2.77Å; D435-R438 PolarHBondContact O-N 2.81Å; R438-L440 PolarHBondContact O-N 3.46Å; R438-L441 WeakPolarHBondContact O-CB 3.48Å; R438-L441 PolarHBondContact O-N 2.91Å; R438-E442 WeakPolarHBondContact O-CG 3.38Å; R438-E442 PolarHBondContact O-N 3.48Å
439R91Very high87.9Confident140 Ų14047.6 Ų47.653%0.52822%0.222SC..Hα-helixtrans-64.9-35.5175-67.1174.4-169.9-134.53113.3D435 E442 L443 L531D435-R439 WeakPolarHBondContact O-CG 3.41Å; D435-R439 PolarHBondContact O-N 3.43Å; D435-R439 VanDerWaalsContact O-N 3.09Å; R439-E442 PolarHBondContact O-N 3.14Å; R439-L443 WeakPolarHBondContact O-CG 3.29Å; R439-L443 PolarHBondContact O-N 3.3Å; R439-L531 HydrophobicContact CB-CD1 3.82Å
440L88.8Confident87.9Confident13 Ų1348.2 Ų48.27%0.06823%0.225CC..Hα-helixtrans-64.2-41.2172.7-77.3168000111.6V436 R437 R438 L443 E444 K528 L531 E532 C535V436-L440 HydrophobicContact CG1-CD1 4.31Å; V436-L440 WeakPolarHBondContact O-CG 3.42Å; V436-L440 PolarHBondContact O-N 2.87Å; R437-L440 PolarHBondContact O-N 3.38Å; R438-L440 PolarHBondContact O-N 3.46Å; L440-L443 PolarHBondContact O-N 3.17Å; L440-E444 WeakPolarHBondContact O-CG 3.48Å; L440-E444 PolarHBondContact O-N 3.31Å; L440-K528 HydrophobicContact CD2-CG 3.97Å; L440-L531 HydrophobicContact CD2-CB 3.64Å; L440-L531 HydrophobicContact CG-CB 3.94Å; L440-E532 HydrophobicContact CD2-CG 4.01Å; L440-C535 HydrophobicContact CD1-CB 3.91Å
441L87.3Confident87.7Confident27 Ų2752.3 Ų52.314%0.14125%0.245CC..Hα-helixtrans-63.1-41.1175.4-166.873.4000112.1R437 R438 E444 N445 Q579 S580 L583R437-L441 PolarHBondContact O-N 2.93Å; R438-L441 WeakPolarHBondContact O-CB 3.48Å; R438-L441 PolarHBondContact O-N 2.91Å; L441-E444 PolarHBondContact O-N 3.34Å; L441-N445 PolarHBondContact O-N 3.07Å; L441-Q579 HydrophobicContact CD2-CB 4.11Å; L441-S580 VanDerWaalsContact CD1-CA 3.45Å; L441-L583 HydrophobicContact CD1-CD1 3.76Å; L441-L583 HydrophobicContact CD2-CD1 4.27Å; L441-L583 HydrophobicContact CG-CD1 3.74Å
442E89.5Confident87.3Confident98 Ų9848.6 Ų48.646%0.45823%0.229SC..Hα-helixtrans-63.3-45.6175.3-70.9159.1-174.300111.7R438 R439 E444 N445 Q446R438-E442 WeakPolarHBondContact O-CG 3.38Å; R438-E442 PolarHBondContact O-N 3.48Å; R439-E442 PolarHBondContact O-N 3.14Å; E442-E444 PolarHBondContact O-N 2.85Å; E442-N445 PolarHBondContact O-N 3.06Å; E442-Q446 WeakPolarHBondContact O-CG 3.13Å; E442-Q446 PolarHBondContact O-N 3.22Å
443L89.8Confident86.9Confident13 Ų1349 Ų497%0.06823%0.232CC..Hα-helixtrans-65.2-34.6174.1-73.8-178.3000113R439 L440 Q446 A447 L524 E527 K528 L531R439-L443 WeakPolarHBondContact O-CG 3.29Å; R439-L443 PolarHBondContact O-N 3.3Å; L440-L443 PolarHBondContact O-N 3.17Å; L443-Q446 PolarHBondContact O-N 3.44Å; L443-A447 VanDerWaalsContact O-CB 3.28Å; L443-A447 WeakPolarHBondContact O-CB 3.27Å; L443-A447 PolarHBondContact O-N 3.25Å; L443-L524 HydrophobicContact CD2-CD2 3.6Å; L443-E527 HydrophobicContact CD1-CB 3.88Å; L443-E527 HydrophobicContact CD2-CB 4.43Å; L443-K528 HydrophobicContact CD1-CB 4.28Å; L443-L531 HydrophobicContact CD1-CD1 3.68Å
444E84.7Confident86.6Confident22 Ų2249.5 Ų49.510%0.10324%0.236CC..Hα-helixtrans-65.1-40.1174.1-77.5-173.1157.700111.7L440 L441 E442 M448 K528 S580L440-E444 WeakPolarHBondContact O-CG 3.48Å; L440-E444 PolarHBondContact O-N 3.31Å; L441-E444 PolarHBondContact O-N 3.34Å; E442-E444 PolarHBondContact O-N 2.85Å; E444-M448 HydrophobicContact CB-CE 4.36Å; E444-M448 WeakPolarHBondContact O-CB 3.4Å; E444-M448 VanDerWaalsContact O-CE 3.31Å; E444-M448 WeakPolarHBondContact O-CE 3.41Å; E444-M448 WeakPolarHBondContact O-CG 3.45Å; E444-M448 PolarHBondContact O-N 3.4Å; E444-K528 IonicContact OE1-NZ 3.22Å; E444-K528 PolarHBondContact OE1-NZ 3.09Å; E444-S580 PolarHBondContact OE2-OG 2.83Å
445N87.1Confident86.2Confident38 Ų3851.3 Ų51.320%0.20325%0.25CC..Hα-helixtrans-63.6-47173.4-170.184.4000111.9L441 E442 A447 M448 E449L441-N445 PolarHBondContact O-N 3.07Å; E442-N445 PolarHBondContact O-N 3.06Å; N445-A447 PolarHBondContact O-N 2.84Å; N445-M448 PolarHBondContact O-N 2.92Å; N445-E449 PolarHBondContact ND2-OE1 2.86Å; N445-E449 PolarHBondContact ND2-OE2 3.39Å; N445-E449 VanDerWaalsContact ND2-OE2 3.07Å; N445-E449 PolarHBondContact O-N 2.86Å
446Q89.9Confident85.5Confident90 Ų9054.3 Ų54.342%0.42126%0.255SS..Hα-helixtrans-60.4-42.8177.4-69.9172.96.800112.2E442 L443 M448 E449 V450 L524E442-Q446 WeakPolarHBondContact O-CG 3.13Å; E442-Q446 PolarHBondContact O-N 3.22Å; L443-Q446 PolarHBondContact O-N 3.44Å; Q446-M448 VanDerWaalsContact C-N 3.32Å; Q446-M448 PolarHBondContact O-N 2.97Å; Q446-E449 PolarHBondContact O-N 2.88Å; Q446-V450 WeakPolarHBondContact O-CG2 3.46Å; Q446-V450 PolarHBondContact O-N 2.8Å; Q446-L524 HydrophobicContact CB-CD1 4.13Å; Q446-L524 HydrophobicContact CB-CD2 4.1Å
447A87.4Confident85.1Confident33 Ų3355.8 Ų55.827%0.27326%0.261SS..Hα-helixtrans-65-34.7177.100000112.6L443 N445 Q451 L524L443-A447 VanDerWaalsContact O-CB 3.28Å; L443-A447 WeakPolarHBondContact O-CB 3.27Å; L443-A447 PolarHBondContact O-N 3.25Å; N445-A447 PolarHBondContact O-N 2.84Å; A447-Q451 WeakPolarHBondContact O-CB 3.36Å; A447-Q451 PolarHBondContact O-N 3.12Å; A447-Q451 VanDerWaalsContact O-N 3.1Å; A447-L524 HydrophobicContact CB-CD1 4.46Å
448M84.1Confident84.7Confident21 Ų2159 Ų5910%0.10328%0.279CS..Hα-helixtrans-69.9-36.4173.6-76.1-173.4-79.500112.6E444 N445 Q446 Q451 I452 L583 L584 S587E444-M448 HydrophobicContact CB-CE 4.36Å; E444-M448 WeakPolarHBondContact O-CB 3.4Å; E444-M448 VanDerWaalsContact O-CE 3.31Å; E444-M448 WeakPolarHBondContact O-CE 3.41Å; E444-M448 WeakPolarHBondContact O-CG 3.45Å; E444-M448 PolarHBondContact O-N 3.4Å; N445-M448 PolarHBondContact O-N 2.92Å; Q446-M448 VanDerWaalsContact C-N 3.32Å; Q446-M448 PolarHBondContact O-N 2.97Å; M448-Q451 PolarHBondContact O-N 3.13Å; M448-I452 WeakPolarHBondContact O-CG1 3.28Å; M448-I452 PolarHBondContact O-N 2.97Å; M448-L583 HydrophobicContact CE-CB 4.13Å; M448-L584 HydrophobicContact CE-CD2 4.24Å; M448-L584 HydrophobicContact SD-CD2 3.83Å; M448-S587 WeakPolarHBondContact SD-CB 3.31Å; M448-S587 PolarHBondContact SD-OG 2.73Å
449E85.9Confident84Confident75 Ų7557.4 Ų57.435%0.3528%0.279SS..Hα-helixtrans-68.4-47.1176.3-76165.9177.800111.4N445 Q446 Q451 I452 D453 R590N445-E449 PolarHBondContact ND2-OE1 2.86Å; N445-E449 PolarHBondContact ND2-OE2 3.39Å; N445-E449 VanDerWaalsContact ND2-OE2 3.07Å; N445-E449 PolarHBondContact O-N 2.86Å; Q446-E449 PolarHBondContact O-N 2.88Å; E449-Q451 PolarHBondContact O-N 3.48Å; E449-I452 PolarHBondContact O-N 3.21Å; E449-D453 PolarHBondContact O-N 2.91Å; E449-R590 IonicContact OE1-NH1 3.51Å; E449-R590 PolarHBondContact OE1-NH1 3.18Å; E449-R590 VanDerWaalsContact OE1-NH1 3.14Å
450V87.6Confident83.2Confident13 Ų1353.3 Ų53.38%0.07927%0.27CS..Hα-helixtrans-56.4-36.5171.7169.80000112Q446 T454 L517 E520 Q521 L524Q446-V450 WeakPolarHBondContact O-CG2 3.46Å; Q446-V450 PolarHBondContact O-N 2.8Å; V450-T454 WeakPolarHBondContact O-CB 3.32Å; V450-T454 PolarHBondContact O-N 3.05Å; V450-T454 PolarHBondContact O-OG1 2.87Å; V450-L517 HydrophobicContact CB-CD2 4.39Å; V450-L517 HydrophobicContact CG1-CB 4.2Å; V450-L517 HydrophobicContact CG1-CD2 4.03Å; V450-L517 WeakPolarHBondContact CG1-O 3.45Å; V450-L517 HydrophobicContact CG2-CD2 4.26Å; V450-E520 HydrophobicContact CG2-CB 4.47Å; V450-Q521 HydrophobicContact CG1-CB 4Å; V450-Q521 HydrophobicContact CG1-CG 4.42Å; V450-L524 HydrophobicContact CG2-CD1 3.93Å
451Q82.3Confident82.5Confident97 Ų9753.3 Ų53.345%0.45327%0.27SS..Hα-helixtrans-69-38175.2179.2175.1-17.500113A447 M448 E449 S455A447-Q451 WeakPolarHBondContact O-CB 3.36Å; A447-Q451 PolarHBondContact O-N 3.12Å; A447-Q451 VanDerWaalsContact O-N 3.1Å; M448-Q451 PolarHBondContact O-N 3.13Å; E449-Q451 PolarHBondContact O-N 3.48Å; Q451-S455 WeakPolarHBondContact O-CB 3.5Å; Q451-S455 PolarHBondContact O-N 2.94Å; Q451-S455 PolarHBondContact O-OG 3.31Å
452I78.3Confident81.7Confident43 Ų4354.1 Ų54.122%0.22128%0.28CS..Hα-helixtrans-64.5-48.8176.5-71.8164.8000110.2M448 E449 S455 R456 R590 H591M448-I452 WeakPolarHBondContact O-CG1 3.28Å; M448-I452 PolarHBondContact O-N 2.97Å; E449-I452 PolarHBondContact O-N 3.21Å; I452-S455 CarbonylContact O-C 3.2Å; I452-S455 WeakPolarHBondContact O-CB 3.48Å; I452-S455 PolarHBondContact O-N 2.85Å; I452-S455 VanDerWaalsContact O-N 3.15Å; I452-R456 PolarHBondContact O-N 3.39Å; I452-R590 HydrophobicContact CD1-CB 4.06Å; I452-H591 WeakPolarHBondContact CG1-CE1 3.28Å
453D82Confident80.8Confident57 Ų5751.4 Ų51.431%0.30528%0.279SS..Hα-helixtrans-69.9-35.5-179.6-76.8-48000112.3E449 S455 R456 H457 L517E449-D453 PolarHBondContact O-N 2.91Å; D453-S455 VanDerWaalsContact C-N 3.28Å; D453-S455 PolarHBondContact O-N 2.84Å; D453-R456 WeakPolarHBondContact O-CB 3.47Å; D453-R456 PolarHBondContact O-N 2.85Å; D453-R456 VanDerWaalsContact O-N 3.11Å; D453-R456 IonicContact OD1-NH1 3.35Å; D453-H457 PolarHBondContact O-CD2 2.88Å; D453-H457 PolarHBondContact O-N 2.97Å; D453-L517 HydrophobicContact CB-CD1 4.03Å; D453-L517 HydrophobicContact CB-CD2 4.45Å
454T81Confident80.2Confident19 Ų1952.1 Ų52.112%0.11728%0.281CS..Hα-helixtrans-57.1-44.4168.9-57.10000110.7V450 R456 L458V450-T454 WeakPolarHBondContact O-CB 3.32Å; V450-T454 PolarHBondContact O-N 3.05Å; V450-T454 PolarHBondContact O-OG1 2.87Å; T454-R456 VanDerWaalsContact C-N 3.28Å; T454-R456 PolarHBondContact O-N 3.24Å; T454-L458 HydrophobicContact CG2-CD1 3.97Å; T454-L458 HydrophobicContact CG2-CG 4.43Å; T454-L458 WeakPolarHBondContact O-CB 3.4Å; T454-L458 VanDerWaalsContact O-CG 3.25Å; T454-L458 WeakPolarHBondContact O-CG 3.38Å; T454-L458 PolarHBondContact O-N 2.88Å
455S77.3Confident79.6Confident49 Ų4955 Ų5534%0.34329%0.294SS..Hα-helixtrans-69-23.5178.4-55.90000113.6Q451 I452 D453Q451-S455 WeakPolarHBondContact O-CB 3.5Å; Q451-S455 PolarHBondContact O-N 2.94Å; Q451-S455 PolarHBondContact O-OG 3.31Å; I452-S455 CarbonylContact O-C 3.2Å; I452-S455 WeakPolarHBondContact O-CB 3.48Å; I452-S455 PolarHBondContact O-N 2.85Å; I452-S455 VanDerWaalsContact O-N 3.15Å; D453-S455 VanDerWaalsContact C-N 3.28Å; D453-S455 PolarHBondContact O-N 2.84Å
456R76.4Confident78.9Confident148 Ų14859 Ų5956%0.55831%0.312SS*.Hα-helixtrans-74.7-55173.7178.9-176.2173.1-166.8-2.7110.7I452 D453 T454 L458 L459 T460I452-R456 PolarHBondContact O-N 3.39Å; D453-R456 WeakPolarHBondContact O-CB 3.47Å; D453-R456 PolarHBondContact O-N 2.85Å; D453-R456 VanDerWaalsContact O-N 3.11Å; D453-R456 IonicContact OD1-NH1 3.35Å; T454-R456 VanDerWaalsContact C-N 3.28Å; T454-R456 PolarHBondContact O-N 3.24Å; R456-L458 VanDerWaalsContact C-N 3.31Å; R456-L458 PolarHBondContact O-N 3.23Å; R456-L459 PolarHBondContact O-N 2.77Å; R456-L459 VanDerWaalsContact O-N 3.14Å; R456-T460 PolarHBondContact O-N 3.15Å
457H81.9Confident78Confident34 Ų3457.8 Ų57.816%0.15731%0.306CS..Hα-helixtrans-62.2-36.7179.1-70.9-69.4000112.5D453 L459 T460 I461 A510 I514D453-H457 PolarHBondContact O-CD2 2.88Å; D453-H457 PolarHBondContact O-N 2.97Å; H457-L459 VanDerWaalsContact C-N 3.26Å; H457-L459 PolarHBondContact O-N 2.83Å; H457-T460 WeakPolarHBondContact O-CB 3.42Å; H457-T460 PolarHBondContact O-N 2.58Å; H457-T460 VanDerWaalsContact O-N 3.14Å; H457-I461 PolarHBondContact O-N 3.2Å; H457-I461 VanDerWaalsContact O-N 3.1Å; H457-A510 HydrophobicContact CB-CB 4.08Å; H457-I514 HydrophobicContact CB-CD1 3.65Å; H457-I514 HydrophobicContact CB-CG1 3.63Å
458L77.7Confident77.5Confident91 Ų9159.4 Ų59.448%0.47631%0.306SS..Hα-helixtrans-60.8-32.5175.5-78.9171.8000112.9T454 R456 A462 I514T454-L458 HydrophobicContact CG2-CD1 3.97Å; T454-L458 HydrophobicContact CG2-CG 4.43Å; T454-L458 WeakPolarHBondContact O-CB 3.4Å; T454-L458 VanDerWaalsContact O-CG 3.25Å; T454-L458 WeakPolarHBondContact O-CG 3.38Å; T454-L458 PolarHBondContact O-N 2.88Å; R456-L458 VanDerWaalsContact C-N 3.31Å; R456-L458 PolarHBondContact O-N 3.23Å; L458-A462 WeakPolarHBondContact O-CB 3.2Å; L458-A462 PolarHBondContact O-N 2.96Å; L458-I514 HydrophobicContact CD2-CD1 3.87Å; L458-I514 HydrophobicContact CG-CD1 3.93Å
459L74.7Confident76.9Confident84 Ų8461.6 Ų61.644%0.4432%0.324SS..Hα-helixtrans-79.6-29.8174.4-157.8101.8000112.9R456 H457 I461 A462 G463R456-L459 PolarHBondContact O-N 2.77Å; R456-L459 VanDerWaalsContact O-N 3.14Å; H457-L459 VanDerWaalsContact C-N 3.26Å; H457-L459 PolarHBondContact O-N 2.83Å; L459-I461 PolarHBondContact O-N 3.02Å; L459-A462 PolarHBondContact O-N 3.13Å; L459-G463 PolarHBondContact O-N 2.74Å
460T74Confident76.3Confident54 Ų5463.7 Ų63.733%0.33133%0.329SS..Hα-helixtrans-56.8-44.3169.7-56.20000110.4R456 H457 W464 V507 A510R456-T460 PolarHBondContact O-N 3.15Å; H457-T460 WeakPolarHBondContact O-CB 3.42Å; H457-T460 PolarHBondContact O-N 2.58Å; H457-T460 VanDerWaalsContact O-N 3.14Å; T460-W464 PolarHBondContact O-N 2.68Å; T460-V507 HydrophobicContact CG2-CG2 4.48Å; T460-A510 HydrophobicContact CG2-CB 4.16Å
461I73.3Confident75.8Confident13 Ų1368.7 Ų68.77%0.06735%0.346CS..Hα-helixtrans-64.6-53.6174.1-65.9168.3000111.3H457 L459 G463 W464 E465 V507 A510 R511 I514H457-I461 PolarHBondContact O-N 3.2Å; H457-I461 VanDerWaalsContact O-N 3.1Å; L459-I461 PolarHBondContact O-N 3.02Å; I461-G463 VanDerWaalsContact C-N 3.26Å; I461-G463 PolarHBondContact O-N 2.9Å; I461-W464 PolarHBondContact O-N 3.07Å; I461-W464 VanDerWaalsContact O-N 3.08Å; I461-E465 VanDerWaalsContact CG2-CD 3.46Å; I461-E465 HydrophobicContact CG2-CG 4.13Å; I461-E465 WeakPolarHBondContact CG2-OE1 3.37Å; I461-E465 WeakPolarHBondContact O-CG 3.22Å; I461-E465 PolarHBondContact O-N 2.87Å; I461-V507 HydrophobicContact CB-CG1 4.46Å; I461-V507 HydrophobicContact CG1-CG1 3.91Å; I461-A510 HydrophobicContact CD1-CB 4.45Å; I461-A510 HydrophobicContact CG1-CB 4.15Å; I461-R511 HydrophobicContact CD1-CG 3.63Å; I461-R511 HydrophobicContact CG1-CG 4.21Å; I461-I514 HydrophobicContact CD1-CD1 3.52Å
462A70.4Confident75.6Confident44 Ų4466.4 Ų66.436%0.36434%0.344SS..Hα-helixtrans-61.1-33.5-177.300000113.2L458 L459 H466L458-A462 WeakPolarHBondContact O-CB 3.2Å; L458-A462 PolarHBondContact O-N 2.96Å; L459-A462 PolarHBondContact O-N 3.13Å; A462-H466 VanDerWaalsContact O-CB 3.31Å; A462-H466 WeakPolarHBondContact O-CB 3.27Å; A462-H466 PolarHBondContact O-N 2.74Å
463G71.9Confident75.5Confident41 Ų4169.4 Ų69.442%0.42336%0.36SS..Hα-helixtrans-63.9-45.6173.400000112.3L459 I461 E467L459-G463 PolarHBondContact O-N 2.74Å; I461-G463 VanDerWaalsContact C-N 3.26Å; I461-G463 PolarHBondContact O-N 2.9Å; G463-E467 WeakPolarHBondContact O-CB 3.42Å; G463-E467 PolarHBondContact O-N 3.18Å
464W77Confident75.2Confident29 Ų2972.2 Ų72.211%0.1137%0.37CS..Hα-helixtrans-67.2-41.8174.9175.675.4000112.8T460 I461 H466 E467 K468 E503 P504 V507T460-W464 PolarHBondContact O-N 2.68Å; I461-W464 PolarHBondContact O-N 3.07Å; I461-W464 VanDerWaalsContact O-N 3.08Å; W464-H466 VanDerWaalsContact C-N 3.31Å; W464-H466 PolarHBondContact O-N 2.71Å; W464-E467 PolarHBondContact O-N 2.71Å; W464-E467 VanDerWaalsContact O-N 3.13Å; W464-K468 HydrophobicContact CH2-CD 3.7Å; W464-K468 HydrophobicContact CZ2-CD 3.62Å; W464-K468 HydrophobicContact CZ3-CD 4.31Å; W464-K468 WeakPolarHBondContact O-CB 3.29Å; W464-K468 PolarHBondContact O-N 3.16Å; W464-E503 HydrophobicContact CH2-CB 3.99Å; W464-E503 HydrophobicContact CH2-CG 3.94Å; W464-E503 HydrophobicContact CZ2-CB 3.85Å; W464-E503 HydrophobicContact CZ2-CG 3.98Å; W464-E503 HydrophobicContact CZ3-CG 4.26Å; W464-E503 WeakPolarHBondContact CZ3-OE1 3.32Å; W464-P504 VanDerWaalsContact CD1-CD 3.45Å; W464-V507 HydrophobicContact CB-CG1 4.26Å; W464-V507 HydrophobicContact CB-CG2 3.66Å; W464-V507 HydrophobicContact CD2-CG1 4.24Å; W464-V507 HydrophobicContact CD2-CG2 4.4Å; W464-V507 HydrophobicContact CE3-CG1 4.01Å; W464-V507 HydrophobicContact CG-CG1 4.37Å; W464-V507 HydrophobicContact CG-CG2 3.83Å
465E71.4Confident74.9Confident83 Ų8375 Ų7539%0.38838%0.378SS..Hα-helixtrans-64.8-36.5179-69.5176.6177.300111.4I461 S469 R511I461-E465 VanDerWaalsContact CG2-CD 3.46Å; I461-E465 HydrophobicContact CG2-CG 4.13Å; I461-E465 WeakPolarHBondContact CG2-OE1 3.37Å; I461-E465 WeakPolarHBondContact O-CG 3.22Å; I461-E465 PolarHBondContact O-N 2.87Å; E465-S469 WeakPolarHBondContact O-CB 3.3Å; E465-S469 PolarHBondContact O-N 2.89Å; E465-S469 PolarHBondContact O-OG 3.38Å; E465-R511 IonicContact OE1-CZ 3.89Å; E465-R511 IonicContact OE1-NH1 2.68Å; E465-R511 PolarHBondContact OE1-NH1 3.21Å; E465-R511 IonicContact OE1-NH2 3.84Å; E465-R511 PolarHBondContact OE1-NH2 3.02Å
466H72.2Confident74.9Confident122 Ų12280.5 Ų80.557%0.56539%0.391SS*.Hα-helixtrans-67-40.9169.9-171.8-102.8000112.7A462 W464 S469 R470A462-H466 VanDerWaalsContact O-CB 3.31Å; A462-H466 WeakPolarHBondContact O-CB 3.27Å; A462-H466 PolarHBondContact O-N 2.74Å; W464-H466 VanDerWaalsContact C-N 3.31Å; W464-H466 PolarHBondContact O-N 2.71Å; H466-S469 PolarHBondContact O-N 2.87Å; H466-R470 PolarHBondContact ND1-NH2 3.34Å; H466-R470 PolarHBondContact O-N 3.3Å
467E72.3Confident74.8Confident63 Ų6378.6 Ų78.629%0.29439%0.389SS..Hα-helixtrans-65.3-45.7176.8-166.560.2-126.400112.1G463 W464 S469 R470 R471G463-E467 WeakPolarHBondContact O-CB 3.42Å; G463-E467 PolarHBondContact O-N 3.18Å; W464-E467 PolarHBondContact O-N 2.71Å; W464-E467 VanDerWaalsContact O-N 3.13Å; E467-S469 VanDerWaalsContact C-N 3.32Å; E467-S469 PolarHBondContact O-N 2.9Å; E467-R470 WeakPolarHBondContact O-CB 3.42Å; E467-R470 PolarHBondContact O-N 3.42Å; E467-R470 VanDerWaalsContact O-N 3.15Å; E467-R470 IonicContact OE1-CZ 3.3Å; E467-R470 IonicContact OE1-NH1 3.13Å; E467-R470 PolarHBondContact OE1-NH1 3.19Å; E467-R470 IonicContact OE1-NH2 2.7Å; E467-R470 IonicContact OE2-CZ 2.74Å; E467-R470 IonicContact OE2-NH1 3.41Å; E467-R470 PolarHBondContact OE2-NH1 2.99Å; E467-R470 IonicContact OE2-NH2 2.64Å; E467-R470 PolarHBondContact OE2-NH2 3.24Å; E467-R471 WeakPolarHBondContact O-CG 3.47Å; E467-R471 PolarHBondContact O-N 2.85Å
468K75.7Confident74.5Confident67 Ų6781 Ų8129%0.29140%0.4SS..Hα-helixtrans-58-44.3173.7-179.5163.2-176.6154.10111.2W464 R470 R471 A472 N501W464-K468 HydrophobicContact CH2-CD 3.7Å; W464-K468 HydrophobicContact CZ2-CD 3.62Å; W464-K468 HydrophobicContact CZ3-CD 4.31Å; W464-K468 WeakPolarHBondContact O-CB 3.29Å; W464-K468 PolarHBondContact O-N 3.16Å; K468-R470 VanDerWaalsContact C-N 3.35Å; K468-R470 PolarHBondContact O-N 3.46Å; K468-R471 PolarHBondContact O-N 2.97Å; K468-A472 WeakPolarHBondContact O-CB 3.49Å; K468-A472 PolarHBondContact O-N 2.85Å; K468-N501 WeakPolarHBondContact CE-OD1 3.41Å; K468-N501 PolarHBondContact NZ-O 3.11Å; K468-N501 VanDerWaalsContact NZ-O 3.15Å; K468-N501 PolarHBondContact NZ-OD1 3.06Å
469S71.5Confident74.4Confident68 Ų6882.6 Ų82.648%0.47640%0.4SS..Hα-helixtrans-61.7-40.7175.3-58.80000112.3E465 H466 E467 A472 L473E465-S469 WeakPolarHBondContact O-CB 3.3Å; E465-S469 PolarHBondContact O-N 2.89Å; E465-S469 PolarHBondContact O-OG 3.38Å; H466-S469 PolarHBondContact O-N 2.87Å; E467-S469 VanDerWaalsContact C-N 3.32Å; E467-S469 PolarHBondContact O-N 2.9Å; S469-A472 PolarHBondContact O-N 3.1Å; S469-L473 WeakPolarHBondContact O-CG 3.28Å; S469-L473 PolarHBondContact O-N 3.19Å
470R74.3Confident74.3Confident119 Ų11986.2 Ų86.245%0.44941%0.408SS..Hα-helixtrans-66.2-42.7177.2-159-168.5-48.4128.723.6112.1H466 E467 K468 L473 K474H466-R470 PolarHBondContact ND1-NH2 3.34Å; H466-R470 PolarHBondContact O-N 3.3Å; E467-R470 WeakPolarHBondContact O-CB 3.42Å; E467-R470 PolarHBondContact O-N 3.42Å; E467-R470 VanDerWaalsContact O-N 3.15Å; E467-R470 IonicContact OE1-CZ 3.3Å; E467-R470 IonicContact OE1-NH1 3.13Å; E467-R470 PolarHBondContact OE1-NH1 3.19Å; E467-R470 IonicContact OE1-NH2 2.7Å; E467-R470 IonicContact OE2-CZ 2.74Å; E467-R470 IonicContact OE2-NH1 3.41Å; E467-R470 PolarHBondContact OE2-NH1 2.99Å; E467-R470 IonicContact OE2-NH2 2.64Å; E467-R470 PolarHBondContact OE2-NH2 3.24Å; K468-R470 VanDerWaalsContact C-N 3.35Å; K468-R470 PolarHBondContact O-N 3.46Å; R470-L473 PolarHBondContact O-N 2.94Å; R470-K474 WeakPolarHBondContact O-CB 3.43Å; R470-K474 PolarHBondContact O-N 2.94Å
471R76.2Confident74Confident117 Ų11790 Ų9044%0.44242%0.419SS..Hα-helixtrans-63.6-44.5175.2-66.5-177-139.9152.81.3111.9E467 K468 L473 K474 W475E467-R471 WeakPolarHBondContact O-CG 3.47Å; E467-R471 PolarHBondContact O-N 2.85Å; K468-R471 PolarHBondContact O-N 2.97Å; R471-L473 VanDerWaalsContact C-N 3.3Å; R471-L473 PolarHBondContact O-N 2.86Å; R471-K474 PolarHBondContact O-N 2.82Å; R471-W475 PolarHBondContact O-N 3.39Å
472A78.2Confident73.5Confident50 Ų5094.1 Ų94.141%0.41344%0.438SS..Hα-helixtrans-63.9-33.2177.700000113K468 S469 R476K468-A472 WeakPolarHBondContact O-CB 3.49Å; K468-A472 PolarHBondContact O-N 2.85Å; S469-A472 PolarHBondContact O-N 3.1Å; A472-R476 VanDerWaalsContact O-CB 3.31Å; A472-R476 WeakPolarHBondContact O-CB 3.11Å; A472-R476 PolarHBondContact O-N 3.21Å
473L75.6Confident73Confident106 Ų10695.6 Ų95.656%0.55545%0.446SS*.Hα-helixtrans-68-48.7169.5-78.7165.8000111.7S469 R470 R471 W475 R476 E477S469-L473 WeakPolarHBondContact O-CG 3.28Å; S469-L473 PolarHBondContact O-N 3.19Å; R470-L473 PolarHBondContact O-N 2.94Å; R471-L473 VanDerWaalsContact C-N 3.3Å; R471-L473 PolarHBondContact O-N 2.86Å; L473-W475 PolarHBondContact O-N 2.83Å; L473-R476 CarbonylContact O-C 3.55Å; L473-R476 PolarHBondContact O-N 2.82Å; L473-R476 VanDerWaalsContact O-N 3.16Å; L473-E477 PolarHBondContact O-N 2.6Å
474K75.8Confident72.3Confident116 Ų116101.9 Ų101.950%0.50446%0.458SS..Hα-helixtrans-59.3-48.6-179.2-171.7178.5173.1-74.90112.2R470 R471 R476 E477 E478R470-K474 WeakPolarHBondContact O-CB 3.43Å; R470-K474 PolarHBondContact O-N 2.94Å; R471-K474 PolarHBondContact O-N 2.82Å; K474-R476 VanDerWaalsContact C-N 3.3Å; K474-R476 PolarHBondContact O-N 3.3Å; K474-E477 PolarHBondContact O-N 2.88Å; K474-E477 VanDerWaalsContact O-N 3.08Å; K474-E478 WeakPolarHBondContact CE-OE1 3.35Å; K474-E478 IonicContact NZ-OE1 3.87Å; K474-E478 PolarHBondContact NZ-OE1 2.85Å; K474-E478 IonicContact NZ-OE2 3.59Å; K474-E478 PolarHBondContact NZ-OE2 2.88Å; K474-E478 WeakPolarHBondContact O-CG 3.35Å; K474-E478 PolarHBondContact O-N 2.82Å
475W76.3Confident71.3Confident76 Ų76106 Ų10629%0.28849%0.487SS..Hα-helixtrans-58.5-41.2175.4-176.295.7000111.7R471 L473 E477 E478 R479 D497 P499R471-W475 PolarHBondContact O-N 3.39Å; L473-W475 PolarHBondContact O-N 2.83Å; W475-E477 VanDerWaalsContact C-N 3.34Å; W475-E477 PolarHBondContact O-N 3Å; W475-E478 PolarHBondContact O-N 2.89Å; W475-R479 HydrophobicContact CD2-CG 4.11Å; W475-R479 HydrophobicContact CE3-CG 4.15Å; W475-R479 HydrophobicContact CH2-CG 4.36Å; W475-R479 HydrophobicContact CZ2-CG 4.3Å; W475-R479 HydrophobicContact CZ3-CG 4.27Å; W475-R479 WeakPolarHBondContact O-CB 3.41Å; W475-R479 VanDerWaalsContact O-CG 3.32Å; W475-R479 WeakPolarHBondContact O-CG 3.1Å; W475-R479 PolarHBondContact O-N 3.44Å; W475-D497 PolarHBondContact NE1-O 3.06Å; W475-P499 HydrophobicContact CD2-CG 4.23Å; W475-P499 HydrophobicContact CG-CB 4.3Å; W475-P499 HydrophobicContact CG-CG 4.07Å
476R76.5Confident70.3Confident166 Ų166109.9 Ų109.963%0.62650%0.502SS*.Hα-helixtrans-68.3-28.7176.5-171.9179.4-64-96.9-1.5113.2A472 L473 K474 R480A472-R476 VanDerWaalsContact O-CB 3.31Å; A472-R476 WeakPolarHBondContact O-CB 3.11Å; A472-R476 PolarHBondContact O-N 3.21Å; L473-R476 CarbonylContact O-C 3.55Å; L473-R476 PolarHBondContact O-N 2.82Å; L473-R476 VanDerWaalsContact O-N 3.16Å; K474-R476 VanDerWaalsContact C-N 3.3Å; K474-R476 PolarHBondContact O-N 3.3Å; R476-R480 WeakPolarHBondContact O-CB 3.41Å; R476-R480 PolarHBondContact O-N 3.41Å
477E74.1Confident69Low107 Ų107111.8 Ų111.850%0.551%0.511SS..Hα-helixtrans-77-38.9171.1-74.5-171.4-176.700112.6L473 K474 W475 R480 K481L473-E477 PolarHBondContact O-N 2.6Å; K474-E477 PolarHBondContact O-N 2.88Å; K474-E477 VanDerWaalsContact O-N 3.08Å; W475-E477 VanDerWaalsContact C-N 3.34Å; W475-E477 PolarHBondContact O-N 3Å; E477-R480 CarbonylContact O-C 3.59Å; E477-R480 WeakPolarHBondContact O-CB 3.42Å; E477-R480 PolarHBondContact O-N 3.13Å; E477-R480 VanDerWaalsContact O-N 3.11Å; E477-K481 WeakPolarHBondContact O-CG 3.47Å; E477-K481 PolarHBondContact O-N 2.7Å
478E75.9Confident67.7Low85 Ų85116.7 Ų116.740%0.39754%0.539SS..Hα-helixtrans-63-50.5177.9-72.9172.9142.500110.2K474 W475 R480 K481 E482K474-E478 WeakPolarHBondContact CE-OE1 3.35Å; K474-E478 IonicContact NZ-OE1 3.87Å; K474-E478 PolarHBondContact NZ-OE1 2.85Å; K474-E478 IonicContact NZ-OE2 3.59Å; K474-E478 PolarHBondContact NZ-OE2 2.88Å; K474-E478 WeakPolarHBondContact O-CG 3.35Å; K474-E478 PolarHBondContact O-N 2.82Å; W475-E478 PolarHBondContact O-N 2.89Å; E478-R480 PolarHBondContact O-N 3.09Å; E478-R480 VanDerWaalsContact O-N 3.08Å; E478-K481 PolarHBondContact O-N 3.37Å; E478-E482 WeakPolarHBondContact O-CG 3.21Å; E478-E482 PolarHBondContact O-N 3.31Å
479R75.6Confident66.2Low124 Ų124118.4 Ų118.447%0.46856%0.56SS.*Hα-helixtrans-55.9-26.7171.2-68.5-131.867.4126.911.5114.1W475 E482 S483W475-R479 HydrophobicContact CD2-CG 4.11Å; W475-R479 HydrophobicContact CE3-CG 4.15Å; W475-R479 HydrophobicContact CH2-CG 4.36Å; W475-R479 HydrophobicContact CZ2-CG 4.3Å; W475-R479 HydrophobicContact CZ3-CG 4.27Å; W475-R479 WeakPolarHBondContact O-CB 3.41Å; W475-R479 VanDerWaalsContact O-CG 3.32Å; W475-R479 WeakPolarHBondContact O-CG 3.1Å; W475-R479 PolarHBondContact O-N 3.44Å; R479-E482 IonicContact NH2-OE2 2.75Å; R479-S483 PolarHBondContact O-N 3.39Å
480R72.9Confident65.1Low161 Ų161122.6 Ų122.661%0.60857%0.572SS**Hα-helixtrans-85.4-30.4178.3-163.5-177-121.6153.2-2.3112.6R476 E477 E478 S483 Y484R476-R480 WeakPolarHBondContact O-CB 3.41Å; R476-R480 PolarHBondContact O-N 3.41Å; E477-R480 CarbonylContact O-C 3.59Å; E477-R480 WeakPolarHBondContact O-CB 3.42Å; E477-R480 PolarHBondContact O-N 3.13Å; E477-R480 VanDerWaalsContact O-N 3.11Å; E478-R480 PolarHBondContact O-N 3.09Å; E478-R480 VanDerWaalsContact O-N 3.08Å; R480-S483 WeakPolarHBondContact CA-OG 3.4Å; R480-S483 PolarHBondContact O-N 2.82Å; R480-S483 PolarHBondContact O-OG 3.37Å; R480-Y484 HydrophobicContact CG-CE2 4.3Å; R480-Y484 WeakPolarHBondContact O-CD2 3.35Å
481K67.7Low63.7Low132 Ų132124.5 Ų124.557%0.57458%0.584SS**Hα-helixtrans-69.5-42.9171.6-73.1169-178.1168.50110.4E477 E478 S483 Y484 T485E477-K481 WeakPolarHBondContact O-CG 3.47Å; E477-K481 PolarHBondContact O-N 2.7Å; E478-K481 PolarHBondContact O-N 3.37Å; K481-S483 PolarHBondContact O-N 3.13Å; K481-Y484 PolarHBondContact O-N 2.9Å; K481-T485 PolarHBondContact O-N 3.01Å; K481-T485 VanDerWaalsContact O-N 3.12Å; K481-T485 PolarHBondContact O-OG1 3.41Å
482E61.9Low62.1Low101 Ų101125.8 Ų125.847%0.47260%0.599SS.*Hα-helixtrans-56.2-34.6172.1-69179.7150.500113.2E478 R479 Y484 K486E478-E482 WeakPolarHBondContact O-CG 3.21Å; E478-E482 PolarHBondContact O-N 3.31Å; R479-E482 IonicContact NH2-OE2 2.75Å; E482-Y484 VanDerWaalsContact C-N 3.28Å; E482-Y484 PolarHBondContact O-N 3.29Å; E482-K486 PolarHBondContact O-N 3.14Å
483S60Low60.4Low74 Ų74129.2 Ų129.252%0.51762%0.62SS.*THydrogen-bonded Turntrans-76.2-7.7175.759.70000114.9R479 R480 K481R479-S483 PolarHBondContact O-N 3.39Å; R480-S483 WeakPolarHBondContact CA-OG 3.4Å; R480-S483 PolarHBondContact O-N 2.82Å; R480-S483 PolarHBondContact O-OG 3.37Å; K481-S483 PolarHBondContact O-N 3.13Å
484Y57Low58.8Low174 Ų174130.7 Ų130.768%0.68263%0.629SS**THydrogen-bonded Turntrans-105.8-17.8173-77.1-65.7000113.3R480 K481 E482R480-Y484 HydrophobicContact CG-CE2 4.3Å; R480-Y484 WeakPolarHBondContact O-CD2 3.35Å; K481-Y484 PolarHBondContact O-N 2.9Å; E482-Y484 VanDerWaalsContact C-N 3.28Å; E482-Y484 PolarHBondContact O-N 3.29Å
485T57Low57.2Low116 Ų116131.2 Ų131.271%0.71264%0.642SS**SBendtrans-95.57.9171.7510000113.5K481K481-T485 PolarHBondContact O-N 3.01Å; K481-T485 VanDerWaalsContact O-N 3.12Å; K481-T485 PolarHBondContact O-OG1 3.41Å
486K50.8Low55.7Low164 Ų164130.4 Ų130.471%0.71366%0.657SS**  trans-123.647.3173.2-70.5-170.8173-174.80112.5E482E482-K486 PolarHBondContact O-N 3.14Å
487E43.3Very low54.5Low161 Ų161129.4 Ų129.475%0.75266%0.664SS**SBendtrans-79151.2142.7-64.2-175.1161.100107.3
488D44.7Very low53.5Low166 Ų166130.5 Ų130.589%0.88867%0.669SS**SBendtrans59.147.2-177.2-63.7-13.3000118
489S46Very low52.6Low104 Ų104128.3 Ų128.373%0.72766%0.662SS**  trans-159.7114.2146-800000112.4
490E47.7Very low51.7Low156 Ų156128.4 Ų128.473%0.72967%0.672SS**  trans-69.1151.7165.9-67.1-155.2150.600111.4
491K44.2Very low51.1Low158 Ų158124.5 Ų124.569%0.68766%0.663SS**  trans43.9108150.6-66.1168.2-169.3134.90118.2
492D42.5Very low51.2Low144 Ų144124.4 Ų124.477%0.7767%0.668SS**  177.3140.792.6-94.7-24.6000112.4
493S43.2Very low51.9Low122 Ų122123 Ų12385%0.85366%0.662SS**  trans57.1174.816366.40000118.4
494D42.2Very low53Low138 Ų138121.7 Ų121.774%0.73865%0.651SS**  -154161.5-58.5-170.711.5000106.6
495T41.8Very low54.4Low127 Ų127118.6 Ų118.678%0.77965%0.653SS**  trans54.2119.1179.846.10000117.1
496G44.6Very low55.7Low58 Ų58120.2 Ų120.260%0.59865%0.652SS**  trans-151.4113.6166.100000109.9
497D50.7Low57.3Low145 Ų145112.7 Ų112.778%0.77562%0.62SS**PPolyproline II helixtrans-64.3146.7-163-62.6-65.7000115W475W475-D497 PolarHBondContact NE1-O 3.06Å
498E54.7Low59.5Low131 Ų131107.2 Ų107.261%0.61260%0.602SS**PPolyproline II helixtrans-62.8143164.2-100.9-81.3126.300109.7D500E498-D500 PolarHBondContact O-N 3.22Å
499P55.8Low61.6Low39 Ų39101.8 Ų101.825%0.25358%0.577SS.*PPolyproline II helixtrans-66.7123.5-179.827.9-32.5000110.1W475 N501W475-P499 HydrophobicContact CD2-CG 4.23Å; W475-P499 HydrophobicContact CG-CB 4.3Å; W475-P499 HydrophobicContact CG-CG 4.07Å; P499-N501 PolarHBondContact O-N 2.99Å; P499-N501 PolarHBondContact O-ND2 3.26Å
500D56.9Low63.5Low125 Ų12596.9 Ų96.967%0.66854%0.543SS*.  trans-54.5114.5-170.2-161-8000112E498 L502E498-D500 PolarHBondContact O-N 3.22Å; D500-L502 WeakPolarHBondContact OD1-CD1 3.28Å; D500-L502 WeakPolarHBondContact OD1-CG 2.84Å
501N61Low65.4Low80 Ų8093.9 Ų93.943%0.42853%0.525SS..  trans-95.7-1.2-158.1-110.3-74.2000113.6K468 P499K468-N501 WeakPolarHBondContact CE-OD1 3.41Å; K468-N501 PolarHBondContact NZ-O 3.11Å; K468-N501 VanDerWaalsContact NZ-O 3.15Å; K468-N501 PolarHBondContact NZ-OD1 3.06Å; P499-N501 PolarHBondContact O-N 2.99Å; P499-N501 PolarHBondContact O-ND2 3.26Å
502L69.8Low67.6Low130 Ų13093.1 Ų93.168%0.68152%0.524SS*.PPolyproline II helixtrans-56.2136.3-172.3-68.5168.3000113.1D500D500-L502 WeakPolarHBondContact OD1-CD1 3.28Å; D500-L502 WeakPolarHBondContact OD1-CG 2.84Å
503E76.8Confident69.9Low72 Ų7289.2 Ų89.234%0.33650%0.503SS..PPolyproline II helixtrans-82.6125.7175.4-174.7162.3-134.600109.9W464 V507 R511W464-E503 HydrophobicContact CH2-CB 3.99Å; W464-E503 HydrophobicContact CH2-CG 3.94Å; W464-E503 HydrophobicContact CZ2-CB 3.85Å; W464-E503 HydrophobicContact CZ2-CG 3.98Å; W464-E503 HydrophobicContact CZ3-CG 4.26Å; W464-E503 WeakPolarHBondContact CZ3-OE1 3.32Å; E503-V507 HydrophobicContact CG-CB 3.81Å; E503-V507 HydrophobicContact CG-CG1 4.04Å; E503-V507 WeakPolarHBondContact OE1-CG1 3.45Å; E503-R511 IonicContact OE1-CZ 2.85Å; E503-R511 VanDerWaalsContact OE1-CZ 3.22Å; E503-R511 IonicContact OE1-NE 3.58Å; E503-R511 PolarHBondContact OE1-NE 3.32Å; E503-R511 IonicContact OE1-NH2 2.88Å; E503-R511 PolarHBondContact OE1-NH2 3.27Å; E503-R511 IonicContact OE2-NE 3.32Å
504P82.2Confident71.9Confident46 Ų4684.8 Ų84.830%0.29947%0.469SS..PPolyproline II helixtrans-60.6146.7178.8-23.432.1000111.8W464 E506 V507 A508W464-P504 VanDerWaalsContact CD1-CD 3.45Å; P504-E506 PolarHBondContact O-N 3.27Å; P504-E506 VanDerWaalsContact O-N 3.11Å; P504-V507 HydrophobicContact CB-CG2 4.13Å; P504-V507 HydrophobicContact CG-CG2 4.16Å; P504-V507 PolarHBondContact O-N 2.93Å; P504-A508 PolarHBondContact O-N 3.32Å; P504-A508 VanDerWaalsContact O-N 3.12Å
505P86.1Confident74.2Confident109 Ų10981.5 Ų81.571%0.70846%0.462SS*.Hα-helixtrans-59.6-29-178.224.1-34.3000112.8V507 S509P505-V507 VanDerWaalsContact C-N 3.3Å; P505-V507 PolarHBondContact O-N 3.07Å; P505-S509 WeakPolarHBondContact O-CB 3.46Å; P505-S509 PolarHBondContact O-N 2.92Å
506E84.3Confident76.6Confident150 Ų15078.4 Ų78.470%0.70145%0.449SS*.Hα-helixtrans-61.8-35.4173.1-59.6-176.8176.800113.1P504 A510P504-E506 PolarHBondContact O-N 3.27Å; P504-E506 VanDerWaalsContact O-N 3.11Å; E506-A510 VanDerWaalsContact O-CB 3.29Å; E506-A510 WeakPolarHBondContact O-CB 3.38Å; E506-A510 PolarHBondContact O-N 3.17Å
507V84.8Confident78.8Confident6 Ų676.6 Ų76.64%0.03643%0.425CS..Hα-helixtrans-83.6-41.5-177.4-170.10000110.2T460 I461 W464 E503 P504 P505 S509 A510 R511T460-V507 HydrophobicContact CG2-CG2 4.48Å; I461-V507 HydrophobicContact CB-CG1 4.46Å; I461-V507 HydrophobicContact CG1-CG1 3.91Å; W464-V507 HydrophobicContact CB-CG1 4.26Å; W464-V507 HydrophobicContact CB-CG2 3.66Å; W464-V507 HydrophobicContact CD2-CG1 4.24Å; W464-V507 HydrophobicContact CD2-CG2 4.4Å; W464-V507 HydrophobicContact CE3-CG1 4.01Å; W464-V507 HydrophobicContact CG-CG1 4.37Å; W464-V507 HydrophobicContact CG-CG2 3.83Å; E503-V507 HydrophobicContact CG-CB 3.81Å; E503-V507 HydrophobicContact CG-CG1 4.04Å; E503-V507 WeakPolarHBondContact OE1-CG1 3.45Å; P504-V507 HydrophobicContact CB-CG2 4.13Å; P504-V507 HydrophobicContact CG-CG2 4.16Å; P504-V507 PolarHBondContact O-N 2.93Å; P505-V507 VanDerWaalsContact C-N 3.3Å; P505-V507 PolarHBondContact O-N 3.07Å; V507-S509 VanDerWaalsContact C-N 3.33Å; V507-S509 PolarHBondContact O-N 3.46Å; V507-A510 WeakPolarHBondContact O-CB 3.39Å; V507-A510 PolarHBondContact O-N 3.06Å; V507-A510 VanDerWaalsContact O-N 3.1Å; V507-R511 PolarHBondContact O-N 3.23Å
508A88.5Confident80.5Confident46 Ų4672.2 Ų72.238%0.3840%0.403SS..Hα-helixtrans-57-47.7170.300000111.1P504 A510 R511 E512P504-A508 PolarHBondContact O-N 3.32Å; P504-A508 VanDerWaalsContact O-N 3.12Å; A508-A510 VanDerWaalsContact C-N 3.34Å; A508-A510 PolarHBondContact O-N 3.05Å; A508-R511 PolarHBondContact O-N 3.46Å; A508-E512 PolarHBondContact O-N 3.31Å
509S90.3Very high82.3Confident51 Ų5167.9 Ų67.936%0.35739%0.394SS..Hα-helixtrans-64-35.5173.6-171.60000112.3P505 V507 R511 E512 N513P505-S509 WeakPolarHBondContact O-CB 3.46Å; P505-S509 PolarHBondContact O-N 2.92Å; V507-S509 VanDerWaalsContact C-N 3.33Å; V507-S509 PolarHBondContact O-N 3.46Å; S509-R511 VanDerWaalsContact C-N 3.34Å; S509-R511 PolarHBondContact O-N 3.03Å; S509-E512 PolarHBondContact O-N 2.82Å; S509-N513 WeakPolarHBondContact O-CB 3.34Å; S509-N513 PolarHBondContact O-N 2.82Å; S509-N513 PolarHBondContact O-ND2 3.41Å; S509-N513 PolarHBondContact OG-ND2 3.36Å
510A84.4Confident84Confident1 Ų170.7 Ų70.71%0.00840%0.404CS..Hα-helixtrans-63.8-36.6173.700000112.8H457 T460 I461 E506 V507 A508 I514H457-A510 HydrophobicContact CB-CB 4.08Å; T460-A510 HydrophobicContact CG2-CB 4.16Å; I461-A510 HydrophobicContact CD1-CB 4.45Å; I461-A510 HydrophobicContact CG1-CB 4.15Å; E506-A510 VanDerWaalsContact O-CB 3.29Å; E506-A510 WeakPolarHBondContact O-CB 3.38Å; E506-A510 PolarHBondContact O-N 3.17Å; V507-A510 WeakPolarHBondContact O-CB 3.39Å; V507-A510 PolarHBondContact O-N 3.06Å; V507-A510 VanDerWaalsContact O-N 3.1Å; A508-A510 VanDerWaalsContact C-N 3.34Å; A508-A510 PolarHBondContact O-N 3.05Å; A510-I514 WeakPolarHBondContact O-CD1 3.25Å; A510-I514 WeakPolarHBondContact O-CG1 3.46Å; A510-I514 PolarHBondContact O-N 2.92Å
511R87.4Confident85.5Confident93 Ų9366.6 Ų66.635%0.35138%0.381SS..Hα-helixtrans-66.4-43.7173.4-67.1-174.7-163.7-78-5.3111.8I461 E465 E503 V507 A508 S509 I514 A515I461-R511 HydrophobicContact CD1-CG 3.63Å; I461-R511 HydrophobicContact CG1-CG 4.21Å; E465-R511 IonicContact OE1-CZ 3.89Å; E465-R511 IonicContact OE1-NH1 2.68Å; E465-R511 PolarHBondContact OE1-NH1 3.21Å; E465-R511 IonicContact OE1-NH2 3.84Å; E465-R511 PolarHBondContact OE1-NH2 3.02Å; E503-R511 IonicContact OE1-CZ 2.85Å; E503-R511 VanDerWaalsContact OE1-CZ 3.22Å; E503-R511 IonicContact OE1-NE 3.58Å; E503-R511 PolarHBondContact OE1-NE 3.32Å; E503-R511 IonicContact OE1-NH2 2.88Å; E503-R511 PolarHBondContact OE1-NH2 3.27Å; E503-R511 IonicContact OE2-NE 3.32Å; V507-R511 PolarHBondContact O-N 3.23Å; A508-R511 PolarHBondContact O-N 3.46Å; S509-R511 VanDerWaalsContact C-N 3.34Å; S509-R511 PolarHBondContact O-N 3.03Å; R511-I514 PolarHBondContact O-N 3.48Å; R511-A515 PolarHBondContact O-N 3.06Å; R511-A515 VanDerWaalsContact O-N 3.08Å
512E91.5Very high86.9Confident142 Ų14269.1 Ų69.166%0.66439%0.388SS*.Hα-helixtrans-61.1-48.5175.7-175.4-179.7-15900112A508 S509 I514 A515 A516A508-E512 PolarHBondContact O-N 3.31Å; S509-E512 PolarHBondContact O-N 2.82Å; E512-I514 VanDerWaalsContact C-N 3.31Å; E512-I514 PolarHBondContact O-N 3.11Å; E512-A515 WeakPolarHBondContact O-CB 3.39Å; E512-A515 PolarHBondContact O-N 3.38Å; E512-A515 VanDerWaalsContact O-N 3.07Å; E512-A516 PolarHBondContact O-N 3.37Å; E512-A516 VanDerWaalsContact O-N 3.07Å
513N91.5Very high88Confident63 Ų6368.5 Ų68.534%0.33738%0.38SS..Hα-helixtrans-60.7-38.4176.8-78.5-70.8000112.1S509 A515 A516 L517S509-N513 WeakPolarHBondContact O-CB 3.34Å; S509-N513 PolarHBondContact O-N 2.82Å; S509-N513 PolarHBondContact O-ND2 3.41Å; S509-N513 PolarHBondContact OG-ND2 3.36Å; N513-A515 PolarHBondContact O-N 3.2Å; N513-A516 PolarHBondContact O-N 3.26Å; N513-L517 WeakPolarHBondContact O-CB 3.28Å; N513-L517 WeakPolarHBondContact O-CD1 3.23Å; N513-L517 WeakPolarHBondContact O-CG 3.23Å; N513-L517 PolarHBondContact O-N 3.45Å
514I85.4Confident88.6Confident28 Ų2865.9 Ų65.914%0.14437%0.368CS..Hα-helixtrans-63.2-40173.5-75.6162.8000111.6H457 L458 I461 A510 R511 E512 A516 L517 V518H457-I514 HydrophobicContact CB-CD1 3.65Å; H457-I514 HydrophobicContact CB-CG1 3.63Å; L458-I514 HydrophobicContact CD2-CD1 3.87Å; L458-I514 HydrophobicContact CG-CD1 3.93Å; I461-I514 HydrophobicContact CD1-CD1 3.52Å; A510-I514 WeakPolarHBondContact O-CD1 3.25Å; A510-I514 WeakPolarHBondContact O-CG1 3.46Å; A510-I514 PolarHBondContact O-N 2.92Å; R511-I514 PolarHBondContact O-N 3.48Å; E512-I514 VanDerWaalsContact C-N 3.31Å; E512-I514 PolarHBondContact O-N 3.11Å; I514-A516 VanDerWaalsContact C-N 3.34Å; I514-A516 PolarHBondContact O-N 2.98Å; I514-L517 PolarHBondContact O-N 2.7Å; I514-V518 HydrophobicContact CG2-CG2 4.2Å; I514-V518 WeakPolarHBondContact O-CB 3.49Å; I514-V518 VanDerWaalsContact O-CG2 3.26Å; I514-V518 WeakPolarHBondContact O-CG2 3.27Å; I514-V518 PolarHBondContact O-N 3.32Å
515A90Very high89Confident70 Ų7070.9 Ų70.958%0.57938%0.381SS*.Hα-helixtrans-61.8-42.7176.600000111.6R511 E512 N513 G519R511-A515 PolarHBondContact O-N 3.06Å; R511-A515 VanDerWaalsContact O-N 3.08Å; E512-A515 WeakPolarHBondContact O-CB 3.39Å; E512-A515 PolarHBondContact O-N 3.38Å; E512-A515 VanDerWaalsContact O-N 3.07Å; N513-A515 PolarHBondContact O-N 3.2Å; A515-G519 PolarHBondContact O-N 2.88Å; A515-G519 VanDerWaalsContact O-N 3.11Å
516A92.4Very high89.2Confident61 Ų6173.4 Ų73.450%0.50438%0.38SS..Hα-helixtrans-62.8-51.3173.900000112.2E512 N513 I514 V518 G519 E520E512-A516 PolarHBondContact O-N 3.37Å; E512-A516 VanDerWaalsContact O-N 3.07Å; N513-A516 PolarHBondContact O-N 3.26Å; I514-A516 VanDerWaalsContact C-N 3.34Å; I514-A516 PolarHBondContact O-N 2.98Å; A516-V518 VanDerWaalsContact C-N 3.32Å; A516-V518 PolarHBondContact O-N 3.49Å; A516-G519 CarbonylContact O-C 3.54Å; A516-G519 VanDerWaalsContact O-CA 3.3Å; A516-G519 WeakPolarHBondContact O-CA 3.42Å; A516-G519 PolarHBondContact O-N 3.03Å; A516-E520 PolarHBondContact O-N 3.04Å
517L89.6Confident89.6Confident21 Ų2170.1 Ų70.111%0.1137%0.365CS..Hα-helixtrans-61.2-36.2179.6-71.7165.9000112.6V450 D453 N513 I514 G519 E520 Q521V450-L517 HydrophobicContact CB-CD2 4.39Å; V450-L517 HydrophobicContact CG1-CB 4.2Å; V450-L517 HydrophobicContact CG1-CD2 4.03Å; V450-L517 WeakPolarHBondContact CG1-O 3.45Å; V450-L517 HydrophobicContact CG2-CD2 4.26Å; D453-L517 HydrophobicContact CB-CD1 4.03Å; D453-L517 HydrophobicContact CB-CD2 4.45Å; N513-L517 WeakPolarHBondContact O-CB 3.28Å; N513-L517 WeakPolarHBondContact O-CD1 3.23Å; N513-L517 WeakPolarHBondContact O-CG 3.23Å; N513-L517 PolarHBondContact O-N 3.45Å; I514-L517 PolarHBondContact O-N 2.7Å; L517-G519 VanDerWaalsContact C-N 3.33Å; L517-E520 PolarHBondContact O-N 3.03Å; L517-Q521 VanDerWaalsContact O-CB 3.29Å; L517-Q521 WeakPolarHBondContact O-CB 3.38Å; L517-Q521 PolarHBondContact O-N 3.38Å
518V88.1Confident89.8Confident52 Ų5272.5 Ų72.532%0.31538%0.375SS..Hα-helixtrans-67.9-33.9172.5168.10000111.4I514 A516 K522I514-V518 HydrophobicContact CG2-CG2 4.2Å; I514-V518 WeakPolarHBondContact O-CB 3.49Å; I514-V518 VanDerWaalsContact O-CG2 3.26Å; I514-V518 WeakPolarHBondContact O-CG2 3.27Å; I514-V518 PolarHBondContact O-N 3.32Å; A516-V518 VanDerWaalsContact C-N 3.32Å; A516-V518 PolarHBondContact O-N 3.49Å; V518-K522 HydrophobicContact CG1-CD 4.49Å; V518-K522 VanDerWaalsContact O-CG 3.3Å; V518-K522 WeakPolarHBondContact O-CG 3.27Å; V518-K522 PolarHBondContact O-N 3.49Å; V518-K522 VanDerWaalsContact O-N 3.08Å
519G91.1Very high89.9Confident40 Ų4074.9 Ų74.941%0.41238%0.381SS..Hα-helixtrans-61.6-50.1169.500000112.3A515 A516 L517 Q521 K522 K523A515-G519 PolarHBondContact O-N 2.88Å; A515-G519 VanDerWaalsContact O-N 3.11Å; A516-G519 CarbonylContact O-C 3.54Å; A516-G519 VanDerWaalsContact O-CA 3.3Å; A516-G519 WeakPolarHBondContact O-CA 3.42Å; A516-G519 PolarHBondContact O-N 3.03Å; L517-G519 VanDerWaalsContact C-N 3.33Å; G519-Q521 PolarHBondContact O-N 3.24Å; G519-K522 WeakPolarHBondContact O-CB 3.49Å; G519-K522 PolarHBondContact O-N 3.02Å; G519-K523 PolarHBondContact O-N 3Å
520E91.4Very high89.9Confident98 Ų9875.1 Ų75.146%0.45839%0.386SS..Hα-helixtrans-62.9-42.1176.2-64.2-149.8114.700112.1V450 A516 L517 K522 K523 L524V450-E520 HydrophobicContact CG2-CB 4.47Å; A516-E520 PolarHBondContact O-N 3.04Å; L517-E520 PolarHBondContact O-N 3.03Å; E520-K522 VanDerWaalsContact C-N 3.25Å; E520-K522 PolarHBondContact O-N 3.43Å; E520-K523 CarbonylContact O-C 3.57Å; E520-K523 WeakPolarHBondContact O-CA 3.11Å; E520-K523 WeakPolarHBondContact O-CB 3.48Å; E520-K523 PolarHBondContact O-N 2.68Å; E520-L524 WeakPolarHBondContact O-CG 3.38Å; E520-L524 PolarHBondContact O-N 3.14Å
521Q88.9Confident90.2Very high40 Ų4076.5 Ų76.519%0.18739%0.393CS..Hα-helixtrans-62-32.7176.4-158.4-172.974.400112.1V450 L517 G519 R525V450-Q521 HydrophobicContact CG1-CB 4Å; V450-Q521 HydrophobicContact CG1-CG 4.42Å; L517-Q521 VanDerWaalsContact O-CB 3.29Å; L517-Q521 WeakPolarHBondContact O-CB 3.38Å; L517-Q521 PolarHBondContact O-N 3.38Å; G519-Q521 PolarHBondContact O-N 3.24Å; Q521-R525 VanDerWaalsContact CD-NH2 3.33Å; Q521-R525 WeakPolarHBondContact O-CB 3.48Å; Q521-R525 VanDerWaalsContact O-CG 3.27Å; Q521-R525 WeakPolarHBondContact O-CG 3.43Å; Q521-R525 PolarHBondContact O-N 3.09Å
522K90.5Very high90.2Very high133 Ų13374.6 Ų74.658%0.57839%0.388SS*.Hα-helixtrans-69.9-38.7171.4-73.7169.5-177.3176.90111.9V518 G519 E520 K526V518-K522 HydrophobicContact CG1-CD 4.49Å; V518-K522 VanDerWaalsContact O-CG 3.3Å; V518-K522 WeakPolarHBondContact O-CG 3.27Å; V518-K522 PolarHBondContact O-N 3.49Å; V518-K522 VanDerWaalsContact O-N 3.08Å; G519-K522 WeakPolarHBondContact O-CB 3.49Å; G519-K522 PolarHBondContact O-N 3.02Å; E520-K522 VanDerWaalsContact C-N 3.25Å; E520-K522 PolarHBondContact O-N 3.43Å; K522-K526 WeakPolarHBondContact O-CG 3.32Å; K522-K526 PolarHBondContact O-N 2.93Å
523K92.3Very high90.1Very high117 Ų11772.3 Ų72.351%0.50938%0.377SS..Hα-helixtrans-64.5-54.3175178.4-173.6168-168.30111.5G519 E520 R525 K526 E527G519-K523 PolarHBondContact O-N 3Å; E520-K523 CarbonylContact O-C 3.57Å; E520-K523 WeakPolarHBondContact O-CA 3.11Å; E520-K523 WeakPolarHBondContact O-CB 3.48Å; E520-K523 PolarHBondContact O-N 2.68Å; K523-R525 VanDerWaalsContact C-N 3.29Å; K523-R525 PolarHBondContact O-N 3.3Å; K523-K526 WeakPolarHBondContact O-CB 3.49Å; K523-K526 PolarHBondContact O-N 3.14Å; K523-E527 WeakPolarHBondContact CE-OE1 3.38Å; K523-E527 VanDerWaalsContact CG-OE1 3.29Å; K523-E527 WeakPolarHBondContact CG-OE1 3.28Å; K523-E527 PolarHBondContact O-N 3.01Å
524L90.5Very high90Very high17 Ų1775.1 Ų75.19%0.08938%0.383CS..Hα-helixtrans-57.9-38.2179.4-66.6171.8000112.2L443 Q446 A447 V450 E520 E527 K528L443-L524 HydrophobicContact CD2-CD2 3.6Å; Q446-L524 HydrophobicContact CB-CD1 4.13Å; Q446-L524 HydrophobicContact CB-CD2 4.1Å; A447-L524 HydrophobicContact CB-CD1 4.46Å; V450-L524 HydrophobicContact CG2-CD1 3.93Å; E520-L524 WeakPolarHBondContact O-CG 3.38Å; E520-L524 PolarHBondContact O-N 3.14Å; L524-E527 PolarHBondContact O-N 2.74Å; L524-K528 VanDerWaalsContact O-CB 3.29Å; L524-K528 WeakPolarHBondContact O-CB 3.25Å; L524-K528 PolarHBondContact O-N 2.97Å
525R89.2Confident90.1Very high150 Ų15073.9 Ų73.957%0.56638%0.377SS*.Hα-helixtrans-62.1-41.9172.8-80.1-177.3-174.6111.82113.1Q521 K523 L529Q521-R525 VanDerWaalsContact CD-NH2 3.33Å; Q521-R525 WeakPolarHBondContact O-CB 3.48Å; Q521-R525 VanDerWaalsContact O-CG 3.27Å; Q521-R525 WeakPolarHBondContact O-CG 3.43Å; Q521-R525 PolarHBondContact O-N 3.09Å; K523-R525 VanDerWaalsContact C-N 3.29Å; K523-R525 PolarHBondContact O-N 3.3Å; R525-L529 WeakPolarHBondContact O-CB 3.36Å; R525-L529 PolarHBondContact O-N 2.83Å
526K91.9Very high90Very high162 Ų16277.1 Ų77.170%0.70437%0.374SS*.Hα-helixtrans-65.2-44.9177-73.1178.9175.5-173.40111.5K522 K523 L529 A530K522-K526 WeakPolarHBondContact O-CG 3.32Å; K522-K526 PolarHBondContact O-N 2.93Å; K523-K526 WeakPolarHBondContact O-CB 3.49Å; K523-K526 PolarHBondContact O-N 3.14Å; K526-L529 PolarHBondContact O-N 3.26Å; K526-A530 PolarHBondContact O-N 2.94Å; K526-A530 VanDerWaalsContact O-N 3.12Å
527E91.3Very high89.8Confident82 Ų8280.1 Ų80.138%0.38338%0.378SS..Hα-helixtrans-66.1-39.5178.5-68.4177.2-159.500111.8L443 K523 L524 A530 L531L443-E527 HydrophobicContact CD1-CB 3.88Å; L443-E527 HydrophobicContact CD2-CB 4.43Å; K523-E527 WeakPolarHBondContact CE-OE1 3.38Å; K523-E527 VanDerWaalsContact CG-OE1 3.29Å; K523-E527 WeakPolarHBondContact CG-OE1 3.28Å; K523-E527 PolarHBondContact O-N 3.01Å; L524-E527 PolarHBondContact O-N 2.74Å; E527-A530 PolarHBondContact O-N 2.85Å; E527-L531 PolarHBondContact O-N 2.95Å
528K89.4Confident89.7Confident56 Ų5679.6 Ų79.624%0.24338%0.375CS..Hα-helixtrans-61.1-47172.8-176.1173.5-175174.30111.7L440 L443 E444 L524 A530 L531 E532L440-K528 HydrophobicContact CD2-CG 3.97Å; L443-K528 HydrophobicContact CD1-CB 4.28Å; E444-K528 IonicContact OE1-NZ 3.22Å; E444-K528 PolarHBondContact OE1-NZ 3.09Å; L524-K528 VanDerWaalsContact O-CB 3.29Å; L524-K528 WeakPolarHBondContact O-CB 3.25Å; L524-K528 PolarHBondContact O-N 2.97Å; K528-A530 VanDerWaalsContact C-N 3.34Å; K528-A530 PolarHBondContact O-N 3.11Å; K528-L531 PolarHBondContact O-N 2.78Å; K528-E532 VanDerWaalsContact CE-OE1 3.26Å; K528-E532 WeakPolarHBondContact CE-OE1 3.11Å; K528-E532 HydrophobicContact CG-CG 4.4Å; K528-E532 WeakPolarHBondContact O-CB 3.19Å; K528-E532 WeakPolarHBondContact O-CG 3.41Å; K528-E532 PolarHBondContact O-N 3.35Å
529L90.7Very high89.5Confident96 Ų9679.9 Ų79.950%0.50337%0.37SS..Hα-helixtrans-58.3-45.5179.1-168.281.7000111.8R525 K526 E532 Q533R525-L529 WeakPolarHBondContact O-CB 3.36Å; R525-L529 PolarHBondContact O-N 2.83Å; K526-L529 PolarHBondContact O-N 3.26Å; L529-E532 PolarHBondContact O-N 2.65Å; L529-Q533 WeakPolarHBondContact O-CG 3.32Å; L529-Q533 PolarHBondContact O-N 3.07Å
530A91.3Very high89.3Confident55 Ų5579.3 Ų79.346%0.45536%0.362SS..Hα-helixtrans-65.8-41.7179.200000112.5K526 E527 K528 Q533 R534K526-A530 PolarHBondContact O-N 2.94Å; K526-A530 VanDerWaalsContact O-N 3.12Å; E527-A530 PolarHBondContact O-N 2.85Å; K528-A530 VanDerWaalsContact C-N 3.34Å; K528-A530 PolarHBondContact O-N 3.11Å; A530-Q533 PolarHBondContact O-N 2.93Å; A530-R534 PolarHBondContact O-N 3.24Å
531L89.1Confident89Confident31 Ų3178.6 Ų78.616%0.16236%0.355CS..Hα-helixtrans-71.1-31.7175.4-76.6170.2000112.6V436 R439 L440 L443 E527 K528 C535V436-L531 HydrophobicContact CG1-CB 4.48Å; V436-L531 HydrophobicContact CG1-CD2 4.16Å; V436-L531 WeakPolarHBondContact CG1-O 3.47Å; V436-L531 HydrophobicContact CG2-CD2 4.42Å; R439-L531 HydrophobicContact CB-CD1 3.82Å; L440-L531 HydrophobicContact CD2-CB 3.64Å; L440-L531 HydrophobicContact CG-CB 3.94Å; L443-L531 HydrophobicContact CD1-CD1 3.68Å; E527-L531 PolarHBondContact O-N 2.95Å; K528-L531 PolarHBondContact O-N 2.78Å; L531-C535 WeakPolarHBondContact O-CB 3.48Å; L531-C535 PolarHBondContact O-N 2.82Å
532E88Confident88.7Confident52 Ų5276.7 Ų76.724%0.24335%0.346CS..Hα-helixtrans-63.4-44.9171.2-85.3-170.1-147.600112L440 K528 L529 C535 R536L440-E532 HydrophobicContact CD2-CG 4.01Å; K528-E532 VanDerWaalsContact CE-OE1 3.26Å; K528-E532 WeakPolarHBondContact CE-OE1 3.11Å; K528-E532 HydrophobicContact CG-CG 4.4Å; K528-E532 WeakPolarHBondContact O-CB 3.19Å; K528-E532 WeakPolarHBondContact O-CG 3.41Å; K528-E532 PolarHBondContact O-N 3.35Å; L529-E532 PolarHBondContact O-N 2.65Å; E532-C535 WeakPolarHBondContact O-CB 3.33Å; E532-C535 PolarHBondContact O-N 3.04Å; E532-R536 VanDerWaalsContact O-CG 3.3Å; E532-R536 WeakPolarHBondContact O-CG 3.44Å; E532-R536 PolarHBondContact O-N 3.26Å; E532-R536 IonicContact OE2-CZ 3.13Å; E532-R536 IonicContact OE2-NH2 3.91Å; E532-R536 PolarHBondContact OE2-NH2 2.74Å
533Q90.2Very high88.4Confident95 Ų9577.1 Ų77.144%0.44434%0.344SS..Hα-helixtrans-58.1-53.1175.2-73.6169.2-14.700110.4L529 A530 C535 R536 E537L529-Q533 WeakPolarHBondContact O-CG 3.32Å; L529-Q533 PolarHBondContact O-N 3.07Å; A530-Q533 PolarHBondContact O-N 2.93Å; Q533-C535 PolarHBondContact O-N 3.47Å; Q533-R536 WeakPolarHBondContact O-CA 3.15Å; Q533-R536 WeakPolarHBondContact O-CB 3.22Å; Q533-R536 PolarHBondContact O-N 3.3Å; Q533-E537 WeakPolarHBondContact O-CG 3.46Å; Q533-E537 PolarHBondContact O-N 3.15Å
534R89.5Confident88Confident122 Ų12278.6 Ų78.646%0.4635%0.346SS..Hα-helixtrans-57.3-35.2174.6-170.3176.7176.3175.2-0.6112.8V436 A530 R536 E537 L538V436-R534 HydrophobicContact CG2-CG 4.22Å; A530-R534 PolarHBondContact O-N 3.24Å; R534-R536 VanDerWaalsContact C-N 3.35Å; R534-E537 PolarHBondContact O-N 3.38Å; R534-L538 HydrophobicContact CG-CD1 4.04Å; R534-L538 HydrophobicContact CG-CG 4.41Å; R534-L538 WeakPolarHBondContact O-CB 3.35Å; R534-L538 VanDerWaalsContact O-CG 3.3Å; R534-L538 WeakPolarHBondContact O-CG 3.4Å; R534-L538 PolarHBondContact O-N 2.71Å
535C87.1Confident87.5Confident2 Ų278.9 Ų78.91%0.01435%0.348CS..Hα-helixtrans-69.6-29.6176-165.30000112.8V436 L440 L531 E532 Q533 R539V436-C535 HydrophobicContact CG1-CB 3.66Å; L440-C535 HydrophobicContact CD1-CB 3.91Å; L531-C535 WeakPolarHBondContact O-CB 3.48Å; L531-C535 PolarHBondContact O-N 2.82Å; E532-C535 WeakPolarHBondContact O-CB 3.33Å; E532-C535 PolarHBondContact O-N 3.04Å; Q533-C535 PolarHBondContact O-N 3.47Å; C535-R539 WeakPolarHBondContact O-CB 3.49Å; C535-R539 WeakPolarHBondContact O-CG 3.49Å; C535-R539 PolarHBondContact O-N 2.78Å; C535-R539 PolarHBondContact O-NE 3.4Å; C535-R539 PolarHBondContact SG-NH2 3.06Å
536R87Confident87Confident137 Ų13774.6 Ų74.652%0.51734%0.335SS..Hα-helixtrans-73.1-43.5172.8-63.2162.6-156.8-1665.3110.3E532 Q533 R534 R539 A540E532-R536 VanDerWaalsContact O-CG 3.3Å; E532-R536 WeakPolarHBondContact O-CG 3.44Å; E532-R536 PolarHBondContact O-N 3.26Å; E532-R536 IonicContact OE2-CZ 3.13Å; E532-R536 IonicContact OE2-NH2 3.91Å; E532-R536 PolarHBondContact OE2-NH2 2.74Å; Q533-R536 WeakPolarHBondContact O-CA 3.15Å; Q533-R536 WeakPolarHBondContact O-CB 3.22Å; Q533-R536 PolarHBondContact O-N 3.3Å; R534-R536 VanDerWaalsContact C-N 3.35Å; R536-R539 PolarHBondContact O-N 3.17Å; R536-A540 PolarHBondContact O-N 2.86Å
537E88.8Confident86.4Confident124 Ų12472.8 Ų72.858%0.57933%0.328SS*.Hα-helixtrans-60.4-48.7176.3-68.2164.6-174.400112.4Q533 R534 A540 R541Q533-E537 WeakPolarHBondContact O-CG 3.46Å; Q533-E537 PolarHBondContact O-N 3.15Å; R534-E537 PolarHBondContact O-N 3.38Å; E537-A540 CarbonylContact O-C 3.6Å; E537-A540 WeakPolarHBondContact O-CB 3.31Å; E537-A540 PolarHBondContact O-N 3Å; E537-A540 VanDerWaalsContact O-N 3.13Å; E537-R541 PolarHBondContact O-N 3.37Å
538L86.9Confident85.7Confident11 Ų1171 Ų716%0.05832%0.323CS..Hα-helixtrans-65.7-39.2178.3-70.3171.6000112E432 Q433 V436 R534 A540 R541 G542E432-L538 HydrophobicContact CB-CD1 4.04Å; E432-L538 HydrophobicContact CB-CD2 3.96Å; E432-L538 WeakPolarHBondContact OE2-CD2 3.4Å; Q433-L538 HydrophobicContact CB-CB 4.38Å; V436-L538 HydrophobicContact CB-CD1 4.23Å; V436-L538 HydrophobicContact CG2-CD1 3.69Å; R534-L538 HydrophobicContact CG-CD1 4.04Å; R534-L538 HydrophobicContact CG-CG 4.41Å; R534-L538 WeakPolarHBondContact O-CB 3.35Å; R534-L538 VanDerWaalsContact O-CG 3.3Å; R534-L538 WeakPolarHBondContact O-CG 3.4Å; R534-L538 PolarHBondContact O-N 2.71Å; L538-A540 VanDerWaalsContact C-N 3.29Å; L538-A540 PolarHBondContact O-N 2.84Å; L538-R541 WeakPolarHBondContact O-CB 3.49Å; L538-R541 PolarHBondContact O-N 2.93Å; L538-R541 VanDerWaalsContact O-N 3.14Å; L538-G542 PolarHBondContact O-N 3.01Å
539R84.7Confident84.8Confident57 Ų5769.2 Ų69.222%0.21532%0.316CS..Hα-helixtrans-60.7-36.4170.5-84.6178.8-82.4178.9-9.9112.5Q433 C535 R536 R543Q433-R539 HydrophobicContact CG-CG 4.37Å; C535-R539 WeakPolarHBondContact O-CB 3.49Å; C535-R539 WeakPolarHBondContact O-CG 3.49Å; C535-R539 PolarHBondContact O-N 2.78Å; C535-R539 PolarHBondContact O-NE 3.4Å; C535-R539 PolarHBondContact SG-NH2 3.06Å; R536-R539 PolarHBondContact O-N 3.17Å; R539-R543 PolarHBondContact O-N 3.3Å; R539-R543 VanDerWaalsContact O-N 3.12Å
540A86.3Confident83.7Confident28 Ų2869.3 Ų69.323%0.23132%0.322CS..Hα-helixtrans-72-32.3174.200000112.6R536 E537 L538 R544R536-A540 PolarHBondContact O-N 2.86Å; E537-A540 CarbonylContact O-C 3.6Å; E537-A540 WeakPolarHBondContact O-CB 3.31Å; E537-A540 PolarHBondContact O-N 3Å; E537-A540 VanDerWaalsContact O-N 3.13Å; L538-A540 VanDerWaalsContact C-N 3.29Å; L538-A540 PolarHBondContact O-N 2.84Å; A540-R544 WeakPolarHBondContact O-CG 3.44Å; A540-R544 PolarHBondContact O-N 3.4Å; A540-R544 PolarHBondContact O-NH1 3.2Å
541R85.2Confident82.6Confident84 Ų8477.4 Ų77.432%0.31734%0.341SS..Hα-helixtrans-67.2-44.6171.7-177.8178.9171.4-155.6-7.8111.8A429 E432 E537 L538 R544 L545A429-R541 HydrophobicContact CB-CG 4.47Å; E432-R541 IonicContact OE1-CZ 2.83Å; E432-R541 IonicContact OE1-NH1 2.82Å; E432-R541 PolarHBondContact OE1-NH1 2.8Å; E432-R541 IonicContact OE1-NH2 3.5Å; E432-R541 PolarHBondContact OE1-NH2 2.84Å; E432-R541 IonicContact OE2-NH1 3.44Å; E432-R541 PolarHBondContact OE2-NH1 2.88Å; E537-R541 PolarHBondContact O-N 3.37Å; L538-R541 WeakPolarHBondContact O-CB 3.49Å; L538-R541 PolarHBondContact O-N 2.93Å; L538-R541 VanDerWaalsContact O-N 3.14Å; R541-R544 PolarHBondContact O-N 2.93Å; R541-L545 WeakPolarHBondContact O-CG 3.44Å; R541-L545 PolarHBondContact O-N 2.85Å
542G82.9Confident81.5Confident0 Ų082.7 Ų82.70%036%0.359CS..Hα-helixtrans-56.8-55.917500000111.9L538 R544 L545 E546L538-G542 PolarHBondContact O-N 3.01Å; G542-R544 VanDerWaalsContact C-N 3.33Å; G542-R544 PolarHBondContact O-N 2.84Å; G542-L545 WeakPolarHBondContact O-CA 3.31Å; G542-L545 WeakPolarHBondContact O-CB 3.28Å; G542-L545 PolarHBondContact O-N 2.98Å; G542-E546 WeakPolarHBondContact O-CG 3.11Å; G542-E546 PolarHBondContact O-N 2.77Å
543R83.5Confident80.4Confident141 Ų14180.6 Ų80.653%0.53235%0.349SS..Hα-helixtrans-57.1-40.7178.4-72.6-171.3-62.7-141.43.8113.8R539 L545 E546 E547R539-R543 PolarHBondContact O-N 3.3Å; R539-R543 VanDerWaalsContact O-N 3.12Å; R543-L545 VanDerWaalsContact C-N 3.27Å; R543-L545 PolarHBondContact O-N 2.91Å; R543-E546 WeakPolarHBondContact CA-OE2 3.27Å; R543-E546 PolarHBondContact O-N 2.84Å; R543-E547 WeakPolarHBondContact O-CB 3.16Å; R543-E547 WeakPolarHBondContact O-CG 3.48Å; R543-E547 PolarHBondContact O-N 2.8Å
544R84.7Confident79.2Confident148 Ų14879.7 Ų79.756%0.55837%0.366SS*.Hα-helixtrans-63.6-29.6174.9-75.9-172.2-58.1-95.52.7113.5A540 R541 G542 T548A540-R544 WeakPolarHBondContact O-CG 3.44Å; A540-R544 PolarHBondContact O-N 3.4Å; A540-R544 PolarHBondContact O-NH1 3.2Å; R541-R544 PolarHBondContact O-N 2.93Å; G542-R544 VanDerWaalsContact C-N 3.33Å; G542-R544 PolarHBondContact O-N 2.84Å; R544-T548 WeakPolarHBondContact O-CG2 3.41Å
545L80.7Confident78.4Confident23 Ų2375.7 Ų75.712%0.1236%0.356CS..Hα-helixtrans-75.6-46.9172.9-67.3168.5000110.2L422 Q425 L426 A429 R541 G542 R543 E547 T548 L549L422-L545 HydrophobicContact CD1-CD2 4.31Å; Q425-L545 HydrophobicContact CB-CD1 4.48Å; Q425-L545 HydrophobicContact CB-CD2 4.47Å; L426-L545 HydrophobicContact CD1-CB 3.79Å; L426-L545 HydrophobicContact CD1-CD1 4.28Å; A429-L545 HydrophobicContact CB-CD1 3.83Å; R541-L545 WeakPolarHBondContact O-CG 3.44Å; R541-L545 PolarHBondContact O-N 2.85Å; G542-L545 WeakPolarHBondContact O-CA 3.31Å; G542-L545 WeakPolarHBondContact O-CB 3.28Å; G542-L545 PolarHBondContact O-N 2.98Å; R543-L545 VanDerWaalsContact C-N 3.27Å; R543-L545 PolarHBondContact O-N 2.91Å; L545-E547 VanDerWaalsContact C-N 3.34Å; L545-E547 PolarHBondContact O-N 2.87Å; L545-T548 PolarHBondContact O-N 3.15Å; L545-T548 PolarHBondContact O-OG1 2.9Å; L545-L549 PolarHBondContact O-N 3.48Å
546E77.8Confident77.9Confident61 Ų6182.7 Ų82.729%0.28539%0.389SS..Hα-helixtrans-54.3-46.1176-68158.2-17000112.1L426 F430 G542 R543 T548 L549 P550L426-E546 HydrophobicContact CD1-CG 4.41Å; F430-E546 VanDerWaalsContact CE1-OE1 3.31Å; F430-E546 WeakPolarHBondContact CE1-OE1 3.44Å; F430-E546 HydrophobicContact CZ-CG 4.47Å; G542-E546 WeakPolarHBondContact O-CG 3.11Å; G542-E546 PolarHBondContact O-N 2.77Å; R543-E546 WeakPolarHBondContact CA-OE2 3.27Å; R543-E546 PolarHBondContact O-N 2.84Å; E546-T548 PolarHBondContact O-N 3.08Å; E546-L549 WeakPolarHBondContact O-CB 3.38Å; E546-L549 WeakPolarHBondContact O-CG 3.4Å; E546-L549 PolarHBondContact O-N 3.11Å; E546-P550 WeakPolarHBondContact O-CD 3.47Å
547E80.1Confident77.3Confident123 Ų12383.3 Ų83.358%0.57540%0.398SS*.THydrogen-bonded Turntrans-61.2-21.8176.3-74.5163.4-157.500113.8R543 L545R543-E547 WeakPolarHBondContact O-CB 3.16Å; R543-E547 WeakPolarHBondContact O-CG 3.48Å; R543-E547 PolarHBondContact O-N 2.8Å; L545-E547 VanDerWaalsContact C-N 3.34Å; L545-E547 PolarHBondContact O-N 2.87Å
548T75.8Confident76.5Confident44 Ų4480.5 Ų80.527%0.2738%0.384SS..THydrogen-bonded Turntrans-88.1-16.817564.60000114.1R544 L545 E546 R551 R552R544-T548 WeakPolarHBondContact O-CG2 3.41Å; L545-T548 PolarHBondContact O-N 3.15Å; L545-T548 PolarHBondContact O-OG1 2.9Å; E546-T548 PolarHBondContact O-N 3.08Å; T548-R551 PolarHBondContact O-N 3.01Å; T548-R551 VanDerWaalsContact O-N 3.09Å; T548-R552 PolarHBondContact O-N 2.84Å
549L71.4Confident75.9Confident20 Ų2086 Ų8611%0.10541%0.405CS..Hα-helixtrans-57-47.6-179.2-58.2173.6000112.4L422 L426 L545 E546 R551 R552 I553 L562L422-L549 HydrophobicContact CD2-CD2 4.05Å; L422-L549 HydrophobicContact CG-CD2 4.33Å; L426-L549 HydrophobicContact CD2-CD1 4.28Å; L426-L549 HydrophobicContact CD2-CD2 4.37Å; L545-L549 PolarHBondContact O-N 3.48Å; E546-L549 WeakPolarHBondContact O-CB 3.38Å; E546-L549 WeakPolarHBondContact O-CG 3.4Å; E546-L549 PolarHBondContact O-N 3.11Å; L549-R551 PolarHBondContact O-N 2.7Å; L549-R551 VanDerWaalsContact O-N 3.13Å; L549-R552 PolarHBondContact O-N 3.11Å; L549-I553 HydrophobicContact CB-CD1 3.9Å; L549-I553 HydrophobicContact CD2-CD1 4.16Å; L549-I553 VanDerWaalsContact O-CD1 3.28Å; L549-I553 WeakPolarHBondContact O-CD1 3.29Å; L549-I553 WeakPolarHBondContact O-CG1 2.87Å; L549-I553 PolarHBondContact O-N 2.97Å; L549-L562 HydrophobicContact CD2-CB 4.28Å; L549-L562 HydrophobicContact CD2-CD1 4.1Å; L549-L562 HydrophobicContact CD2-CD2 4.34Å; L549-L562 HydrophobicContact CD2-CG 4.47Å
550P67.3Low75.7Confident97 Ų9789.1 Ų89.163%0.6342%0.421SS*.Hα-helixtrans-66-18.7-179.9-20.234.1000113.9E546E546-P550 WeakPolarHBondContact O-CD 3.47Å
551R68.1Low75.3Confident226 Ų22691.6 Ų91.685%0.85343%0.433SS*.Hα-helixtrans-96.3-16.4-174.5-58.4-172-175.1-147.61.5114.1T548 L549T548-R551 PolarHBondContact O-N 3.01Å; T548-R551 VanDerWaalsContact O-N 3.09Å; L549-R551 PolarHBondContact O-N 2.7Å; L549-R551 VanDerWaalsContact O-N 3.13Å
552R66Low75Confident141 Ų14187.8 Ų87.853%0.53242%0.42SS..Hα-helixtrans-111-10.9-176.8-70.7-175.6174.1-941.3114.5E418 L422 T548 L549E418-R552 IonicContact OE2-NH1 2.81Å; E418-R552 PolarHBondContact OE2-NH1 3.3Å; L422-R552 HydrophobicContact CD2-CB 4.25Å; T548-R552 PolarHBondContact O-N 2.84Å; L549-R552 PolarHBondContact O-N 3.11Å
553I64.3Low74.8Confident8 Ų891.4 Ų91.44%0.04145%0.445CS..  trans-106.2103.7-168.5-57.6171.7000112.1M419 L549 S555 Q558 R559 L562M419-I553 HydrophobicContact CE-CD1 4.15Å; M419-I553 HydrophobicContact CE-CG1 3.66Å; M419-I553 HydrophobicContact SD-CG1 4.04Å; L549-I553 HydrophobicContact CB-CD1 3.9Å; L549-I553 HydrophobicContact CD2-CD1 4.16Å; L549-I553 VanDerWaalsContact O-CD1 3.28Å; L549-I553 WeakPolarHBondContact O-CD1 3.29Å; L549-I553 WeakPolarHBondContact O-CG1 2.87Å; L549-I553 PolarHBondContact O-N 2.97Å; I553-S555 WeakPolarHBondContact CG2-O 3.42Å; I553-Q558 HydrophobicContact CG2-CB 3.85Å; I553-R559 HydrophobicContact CG2-CB 3.79Å; I553-R559 PolarHBondContact O-NH2 3.2Å; I553-L562 HydrophobicContact CD1-CB 4.34Å; I553-L562 HydrophobicContact CD1-CD1 3.63Å; I553-L562 HydrophobicContact CG1-CD1 4.39Å
554G64.9Low74.8Confident76 Ų7690.1 Ų90.178%0.78445%0.448SS*.  trans-84.8-21.8174.700000115.5
555S72.3Confident74.7Confident38 Ų3885 Ų8527%0.26643%0.432SS..  trans-97.1136.5178.7162.10000111.9I553 E557 Q558 R559I553-S555 WeakPolarHBondContact CG2-O 3.42Å; S555-E557 PolarHBondContact OG-N 2.8Å; S555-Q558 PolarHBondContact O-N 3.48Å; S555-Q558 PolarHBondContact OG-N 3.13Å; S555-R559 PolarHBondContact O-N 3.05Å; S555-R559 VanDerWaalsContact O-N 3.17Å
556E76.2Confident74.8Confident150 Ų15084.9 Ų84.970%0.70143%0.432SS*.Hα-helixtrans-64.8-47.9177.3-171.9157.4-135.800111.9Q558 R559 E560E556-Q558 VanDerWaalsContact C-N 3.28Å; E556-Q558 PolarHBondContact O-N 2.77Å; E556-R559 WeakPolarHBondContact O-CA 3.39Å; E556-R559 VanDerWaalsContact O-CB 3.26Å; E556-R559 WeakPolarHBondContact O-CB 3.41Å; E556-R559 PolarHBondContact O-N 3.49Å; E556-E560 PolarHBondContact O-N 2.97Å
557E74.6Confident75.1Confident149 Ų14987 Ų8770%0.69644%0.438SS*.Hα-helixtrans-54.6-42.9175.6-57.4177.7164.600112.2S555 R559 E560 V561S555-E557 PolarHBondContact OG-N 2.8Å; E557-R559 VanDerWaalsContact C-N 3.28Å; E557-R559 PolarHBondContact O-N 3.06Å; E557-E560 PolarHBondContact O-N 3.37Å; E557-V561 WeakPolarHBondContact O-CG2 3.36Å; E557-V561 PolarHBondContact O-N 3.15Å
558Q72Confident75.3Confident65 Ų6584.8 Ų84.830%0.30443%0.432SS..Hα-helixtrans-66.8-32.1177.7-68.7178.4-6.700112.1I553 S555 E556 L562I553-Q558 HydrophobicContact CG2-CB 3.85Å; S555-Q558 PolarHBondContact O-N 3.48Å; S555-Q558 PolarHBondContact OG-N 3.13Å; E556-Q558 VanDerWaalsContact C-N 3.28Å; E556-Q558 PolarHBondContact O-N 2.77Å; Q558-L562 PolarHBondContact O-N 3.39Å
559R76Confident75.7Confident128 Ų12883.2 Ų83.248%0.48342%0.422SS..Hα-helixtrans-71.5-42176.4-165.5178.1-65.4166.61.6110.9I553 S555 E556 E557 L562 S563I553-R559 HydrophobicContact CG2-CB 3.79Å; I553-R559 PolarHBondContact O-NH2 3.2Å; S555-R559 PolarHBondContact O-N 3.05Å; S555-R559 VanDerWaalsContact O-N 3.17Å; E556-R559 WeakPolarHBondContact O-CA 3.39Å; E556-R559 VanDerWaalsContact O-CB 3.26Å; E556-R559 WeakPolarHBondContact O-CB 3.41Å; E556-R559 PolarHBondContact O-N 3.49Å; E557-R559 VanDerWaalsContact C-N 3.28Å; E557-R559 PolarHBondContact O-N 3.06Å; R559-L562 PolarHBondContact O-N 3.32Å; R559-S563 WeakPolarHBondContact O-CB 3.38Å; R559-S563 PolarHBondContact O-N 3.37Å
560E79.2Confident76.2Confident121 Ų12186.9 Ų86.957%0.56544%0.438SS*.Hα-helixtrans-61.2-48.8173.9-67.4-167.7149.300111.7E556 E557 L562 S563 L564E556-E560 PolarHBondContact O-N 2.97Å; E557-E560 PolarHBondContact O-N 3.37Å; E560-L562 VanDerWaalsContact C-N 3.3Å; E560-L562 PolarHBondContact O-N 2.88Å; E560-S563 PolarHBondContact O-N 2.82Å; E560-L564 WeakPolarHBondContact O-CB 3.34Å; E560-L564 VanDerWaalsContact O-CG 3.31Å; E560-L564 WeakPolarHBondContact O-CG 3.07Å; E560-L564 PolarHBondContact O-N 3.01Å
561V79.1Confident77Confident80 Ų8086.2 Ų86.249%0.48543%0.429SS..Hα-helixtrans-59.1-39.2179.81690000112.3E557 L565E557-V561 WeakPolarHBondContact O-CG2 3.36Å; E557-V561 PolarHBondContact O-N 3.15Å; V561-L565 PolarHBondContact O-N 3.22Å; V561-L565 VanDerWaalsContact O-N 3.13Å
562L77.9Confident77.8Confident5 Ų580 Ų803%0.02641%0.41CS..Hα-helixtrans-79.8-32.4178.2-75.4160.7000112.8M419 R423 L426 L549 I553 Q558 R559 E560 L565 C566M419-L562 HydrophobicContact CE-CD1 3.26Å; R423-L562 HydrophobicContact CB-CD2 4.22Å; R423-L562 HydrophobicContact CG-CD2 4.37Å; L426-L562 HydrophobicContact CD2-CD2 3.95Å; L549-L562 HydrophobicContact CD2-CB 4.28Å; L549-L562 HydrophobicContact CD2-CD1 4.1Å; L549-L562 HydrophobicContact CD2-CD2 4.34Å; L549-L562 HydrophobicContact CD2-CG 4.47Å; I553-L562 HydrophobicContact CD1-CB 4.34Å; I553-L562 HydrophobicContact CD1-CD1 3.63Å; I553-L562 HydrophobicContact CG1-CD1 4.39Å; Q558-L562 PolarHBondContact O-N 3.39Å; R559-L562 PolarHBondContact O-N 3.32Å; E560-L562 VanDerWaalsContact C-N 3.3Å; E560-L562 PolarHBondContact O-N 2.88Å; L562-L565 HydrophobicContact CD2-CD2 4.22Å; L562-L565 PolarHBondContact O-N 3.18Å; L562-C566 PolarHBondContact O-N 2.99Å; L562-C566 PolarHBondContact O-SG 3.36Å
563S78.9Confident78.6Confident75 Ų7573.8 Ų73.852%0.52439%0.387SS..Hα-helixtrans-62-45.5169.8-175.40000111.5R559 E560 L565 C566 R567R559-S563 WeakPolarHBondContact O-CB 3.38Å; R559-S563 PolarHBondContact O-N 3.37Å; E560-S563 PolarHBondContact O-N 2.82Å; S563-L565 VanDerWaalsContact C-N 3.35Å; S563-L565 PolarHBondContact O-N 3.17Å; S563-C566 PolarHBondContact O-N 3.25Å; S563-R567 PolarHBondContact O-N 2.95Å
564L82.9Confident79.4Confident115 Ų11578 Ų7860%0.60241%0.407SS*.Hα-helixtrans-61.3-40.6174.3-72.8170.2000112E560 R567 V568E560-L564 WeakPolarHBondContact O-CB 3.34Å; E560-L564 VanDerWaalsContact O-CG 3.31Å; E560-L564 WeakPolarHBondContact O-CG 3.07Å; E560-L564 PolarHBondContact O-N 3.01Å; L564-R567 PolarHBondContact O-N 3.05Å; L564-V568 WeakPolarHBondContact O-CG2 3.1Å; L564-V568 PolarHBondContact O-N 2.98Å
565L83.3Confident80.3Confident41 Ų4178.3 Ų78.322%0.21539%0.39CS..Hα-helixtrans-62.9-41.3175.5-179.461.6000112L426 I427 F430 V561 L562 S563 H569L426-L565 HydrophobicContact CD2-CD2 4.02Å; L426-L565 HydrophobicContact CG-CD2 4.34Å; I427-L565 HydrophobicContact CD1-CD2 4.33Å; I427-L565 HydrophobicContact CG1-CD1 4.19Å; I427-L565 HydrophobicContact CG1-CD2 3.65Å; F430-L565 HydrophobicContact CD2-CG 4.27Å; F430-L565 HydrophobicContact CE2-CG 4.1Å; V561-L565 PolarHBondContact O-N 3.22Å; V561-L565 VanDerWaalsContact O-N 3.13Å; L562-L565 HydrophobicContact CD2-CD2 4.22Å; L562-L565 PolarHBondContact O-N 3.18Å; S563-L565 VanDerWaalsContact C-N 3.35Å; S563-L565 PolarHBondContact O-N 3.17Å; L565-H569 PolarHBondContact O-N 2.87Å
566C83.1Confident80.8Confident20 Ų2077.4 Ų77.414%0.13538%0.384CS..Hα-helixtrans-64-44.2173.3-60.50000111.2L562 S563 V568 H569 E570L562-C566 PolarHBondContact O-N 2.99Å; L562-C566 PolarHBondContact O-SG 3.36Å; S563-C566 PolarHBondContact O-N 3.25Å; C566-V568 VanDerWaalsContact C-N 3.33Å; C566-V568 PolarHBondContact O-N 2.7Å; C566-H569 WeakPolarHBondContact O-CB 3.43Å; C566-H569 PolarHBondContact O-N 3.38Å; C566-H569 VanDerWaalsContact O-N 3.15Å; C566-E570 WeakPolarHBondContact O-CG 3.48Å; C566-E570 PolarHBondContact O-N 3.28Å
567R83.5Confident80.9Confident106 Ų10672.9 Ų72.940%0.436%0.362SS..Hα-helixtrans-67.2-30.8179.9-171.656.6-174.1148.912.4113.2S563 L564 E570 L571 E574S563-R567 PolarHBondContact O-N 2.95Å; L564-R567 PolarHBondContact O-N 3.05Å; R567-E570 WeakPolarHBondContact CD-OE2 3.37Å; R567-E570 IonicContact CZ-OE2 3.21Å; R567-E570 IonicContact NE-OE2 2.74Å; R567-E570 IonicContact NH1-OE2 3.39Å; R567-E570 PolarHBondContact NH1-OE2 3.43Å; R567-L571 HydrophobicContact CG-CD1 4.46Å; R567-L571 VanDerWaalsContact O-CG 3.29Å; R567-L571 WeakPolarHBondContact O-CG 3.48Å; R567-L571 PolarHBondContact O-N 3.29Å; R567-L571 VanDerWaalsContact O-N 3.09Å; R567-E574 IonicContact CZ-OE1 3.63Å; R567-E574 IonicContact NH1-OE1 3.72Å; R567-E574 PolarHBondContact NH1-OE1 2.89Å; R567-E574 IonicContact NH2-OE1 2.71Å; R567-E574 PolarHBondContact NH2-OE1 3.1Å
568V83.7Confident81.1Confident76 Ų7672.1 Ų72.146%0.46136%0.36SS..Hα-helixtrans-64.8-46.2170.1168.30000110.6L564 C566 E570 L571 E572L564-V568 WeakPolarHBondContact O-CG2 3.1Å; L564-V568 PolarHBondContact O-N 2.98Å; C566-V568 VanDerWaalsContact C-N 3.33Å; C566-V568 PolarHBondContact O-N 2.7Å; V568-E570 PolarHBondContact O-N 2.94Å; V568-L571 PolarHBondContact O-N 2.62Å; V568-E572 PolarHBondContact O-N 2.85Å
569H84.2Confident81.7Confident11 Ų1172.5 Ų72.55%0.05136%0.362CS..Hα-helixtrans-59.9-43.7175.7-179.164.5000112.2F430 Q433 M434 L565 C566 L571 E572 V573F430-H569 HydrophobicContact CD1-CB 4.47Å; F430-H569 AromaticContact CD1-CD2 3.38Å; F430-H569 WeakPolarHBondContact CD1-CD2 3.3Å; F430-H569 AromaticContact CD1-CE1 3.54Å; F430-H569 AromaticContact CD1-CG 3.76Å; F430-H569 AromaticContact CD1-ND1 3.89Å; F430-H569 AromaticContact CD1-NE2 3.24Å; F430-H569 WeakPolarHBondContact CD1-NE2 3.43Å; F430-H569 HydrophobicContact CD2-CB 3.53Å; F430-H569 AromaticContact CD2-CG 3.68Å; F430-H569 HydrophobicContact CE1-CB 4.5Å; F430-H569 AromaticContact CE1-CD2 3.32Å; F430-H569 WeakPolarHBondContact CE1-CD2 3.5Å; F430-H569 AromaticContact CE1-CG 3.98Å; F430-H569 AromaticContact CE1-NE2 3.53Å; F430-H569 HydrophobicContact CE2-CB 3.57Å; F430-H569 AromaticContact CE2-CD2 3.98Å; F430-H569 AromaticContact CE2-CG 3.91Å; F430-H569 HydrophobicContact CG-CB 3.98Å; F430-H569 AromaticContact CG-CD2 3.73Å; F430-H569 AromaticContact CG-CE1 3.66Å; F430-H569 AromaticContact CG-CG 3.58Å; F430-H569 AromaticContact CG-ND1 3.58Å; F430-H569 AromaticContact CG-NE2 3.78Å; F430-H569 HydrophobicContact CZ-CB 4.07Å; F430-H569 AromaticContact CZ-CD2 3.62Å; Q433-H569 PolarHBondContact NE2-NE2 3.13Å; Q433-H569 PolarHBondContact OE1-CE1 3.29Å; Q433-H569 PolarHBondContact OE1-NE2 2.95Å; M434-H569 WeakPolarHBondContact CE-CE1 3.49Å; L565-H569 PolarHBondContact O-N 2.87Å; C566-H569 WeakPolarHBondContact O-CB 3.43Å; C566-H569 PolarHBondContact O-N 3.38Å; C566-H569 VanDerWaalsContact O-N 3.15Å; H569-L571 PolarHBondContact O-N 3.36Å; H569-E572 PolarHBondContact O-N 3.11Å; H569-V573 WeakPolarHBondContact O-CG2 3.35Å; H569-V573 PolarHBondContact O-N 3.21Å
570E83.5Confident81.7Confident96 Ų9666.7 Ų66.745%0.44934%0.341SS..Hα-helixtrans-56.5-45.6172.8-71-179.1159.600112.5C566 R567 V568 E572 V573 E574C566-E570 WeakPolarHBondContact O-CG 3.48Å; C566-E570 PolarHBondContact O-N 3.28Å; R567-E570 WeakPolarHBondContact CD-OE2 3.37Å; R567-E570 IonicContact CZ-OE2 3.21Å; R567-E570 IonicContact NE-OE2 2.74Å; R567-E570 IonicContact NH1-OE2 3.39Å; R567-E570 PolarHBondContact NH1-OE2 3.43Å; V568-E570 PolarHBondContact O-N 2.94Å; E570-E572 VanDerWaalsContact C-N 3.35Å; E570-E572 PolarHBondContact O-N 2.78Å; E570-V573 WeakPolarHBondContact O-CA 3.09Å; E570-V573 VanDerWaalsContact O-CB 3.26Å; E570-V573 WeakPolarHBondContact O-CB 3.41Å; E570-V573 PolarHBondContact O-N 2.82Å; E570-V573 VanDerWaalsContact O-N 3.15Å; E570-E574 WeakPolarHBondContact O-CG 3.35Å; E570-E574 PolarHBondContact O-N 2.97Å
571L83.4Confident81.7Confident83 Ų8366.1 Ų66.144%0.43534%0.338SS..Hα-helixtrans-68.2-32.7178.1-69.9168.3000112.5R567 V568 H569 N575R567-L571 HydrophobicContact CG-CD1 4.46Å; R567-L571 VanDerWaalsContact O-CG 3.29Å; R567-L571 WeakPolarHBondContact O-CG 3.48Å; R567-L571 PolarHBondContact O-N 3.29Å; R567-L571 VanDerWaalsContact O-N 3.09Å; V568-L571 PolarHBondContact O-N 2.62Å; H569-L571 PolarHBondContact O-N 3.36Å; L571-N575 VanDerWaalsContact O-CB 3.32Å; L571-N575 WeakPolarHBondContact O-CB 3.47Å; L571-N575 PolarHBondContact O-N 3.16Å
572E84.2Confident81.7Confident97 Ų9765 Ų6545%0.45334%0.337SS..Hα-helixtrans-67.5-36.3169.8-71.3-170.3177.700111.8M434 V568 H569 E570 N575 T576M434-E572 HydrophobicContact SD-CB 4.05Å; V568-E572 PolarHBondContact O-N 2.85Å; H569-E572 PolarHBondContact O-N 3.11Å; E570-E572 VanDerWaalsContact C-N 3.35Å; E570-E572 PolarHBondContact O-N 2.78Å; E572-N575 PolarHBondContact O-N 3.34Å; E572-T576 WeakPolarHBondContact O-CG2 3.36Å; E572-T576 PolarHBondContact O-N 2.88Å; E572-T576 PolarHBondContact O-OG1 3.16Å
573V83Confident81.9Confident9 Ų967 Ų676%0.05535%0.348CS..Hα-helixtrans-57.7-58.2169.2179.10000110.7M434 R437 H569 E570 N575 T576 E577 I666M434-V573 HydrophobicContact CE-CG2 4.31Å; R437-V573 VanDerWaalsContact CZ-CG1 3.45Å; H569-V573 WeakPolarHBondContact O-CG2 3.35Å; H569-V573 PolarHBondContact O-N 3.21Å; E570-V573 WeakPolarHBondContact O-CA 3.09Å; E570-V573 VanDerWaalsContact O-CB 3.26Å; E570-V573 WeakPolarHBondContact O-CB 3.41Å; E570-V573 PolarHBondContact O-N 2.82Å; E570-V573 VanDerWaalsContact O-N 3.15Å; V573-N575 PolarHBondContact O-N 3.15Å; V573-T576 PolarHBondContact O-N 3.43Å; V573-T576 PolarHBondContact O-OG1 2.87Å; V573-E577 HydrophobicContact CG1-CG 4.21Å; V573-E577 WeakPolarHBondContact CG1-OE1 3.38Å; V573-E577 PolarHBondContact O-N 3.5Å; V573-I666 HydrophobicContact CG1-CD1 3.99Å
574E82Confident81.7Confident96 Ų9665.2 Ų65.245%0.44933%0.332SS..Hα-helixtrans-53.9-39-177.8-69.9174.4-151.800111.1R567 E570 M578R567-E574 IonicContact CZ-OE1 3.63Å; R567-E574 IonicContact NH1-OE1 3.72Å; R567-E574 PolarHBondContact NH1-OE1 2.89Å; R567-E574 IonicContact NH2-OE1 2.71Å; R567-E574 PolarHBondContact NH2-OE1 3.1Å; E570-E574 WeakPolarHBondContact O-CG 3.35Å; E570-E574 PolarHBondContact O-N 2.97Å; E574-M578 WeakPolarHBondContact O-CB 3.31Å; E574-M578 PolarHBondContact O-N 3.32Å
575N82.7Confident81.4Confident83 Ų8366.9 Ų66.944%0.44433%0.33SS..Hα-helixtrans-66-45.7174.7-171.75.4000112.8L571 E572 V573 E577 M578 Q579L571-N575 VanDerWaalsContact O-CB 3.32Å; L571-N575 WeakPolarHBondContact O-CB 3.47Å; L571-N575 PolarHBondContact O-N 3.16Å; E572-N575 PolarHBondContact O-N 3.34Å; V573-N575 PolarHBondContact O-N 3.15Å; N575-E577 VanDerWaalsContact C-N 3.34Å; N575-E577 PolarHBondContact O-N 3.24Å; N575-M578 WeakPolarHBondContact O-CB 3.28Å; N575-M578 PolarHBondContact O-N 3.24Å; N575-Q579 WeakPolarHBondContact O-CG 3.5Å; N575-Q579 PolarHBondContact O-N 3.23Å; N575-Q579 PolarHBondContact OD1-NE2 3.17Å
576T82.6Confident81.2Confident20 Ų2067.5 Ų67.512%0.12333%0.334CS..Hα-helixtrans-65.4-34.8175.958.80000113.2R437 E572 V573 Q579 S580R437-T576 WeakPolarHBondContact CD-OG1 3.4Å; E572-T576 WeakPolarHBondContact O-CG2 3.36Å; E572-T576 PolarHBondContact O-N 2.88Å; E572-T576 PolarHBondContact O-OG1 3.16Å; V573-T576 PolarHBondContact O-N 3.43Å; V573-T576 PolarHBondContact O-OG1 2.87Å; T576-Q579 PolarHBondContact O-N 2.89Å; T576-S580 PolarHBondContact O-N 3.48Å
577E79.5Confident80.7Confident54 Ų5467 Ų6725%0.25233%0.331SS..Hα-helixtrans-69.8-37.2175.6-68.9-178.9-167.900111.1R437 V573 N575 Q579 S580 H581R437-E577 IonicContact NH2-OE1 3.89Å; R437-E577 PolarHBondContact NH2-OE1 3.48Å; V573-E577 HydrophobicContact CG1-CG 4.21Å; V573-E577 WeakPolarHBondContact CG1-OE1 3.38Å; V573-E577 PolarHBondContact O-N 3.5Å; N575-E577 VanDerWaalsContact C-N 3.34Å; N575-E577 PolarHBondContact O-N 3.24Å; E577-Q579 VanDerWaalsContact C-N 3.33Å; E577-Q579 PolarHBondContact O-N 2.94Å; E577-S580 PolarHBondContact O-N 3.05Å; E577-H581 PolarHBondContact O-N 2.87Å
578M79.1Confident80.1Confident133 Ų13363.8 Ų63.866%0.65533%0.327SS*.Hα-helixtrans-62.8-37170.8-165.7-175.5-55.100112.5E574 N575 A582E574-M578 WeakPolarHBondContact O-CB 3.31Å; E574-M578 PolarHBondContact O-N 3.32Å; N575-M578 WeakPolarHBondContact O-CB 3.28Å; N575-M578 PolarHBondContact O-N 3.24Å; M578-A582 WeakPolarHBondContact O-CB 3.31Å; M578-A582 PolarHBondContact O-N 2.77Å
579Q82.9Confident79.8Confident74 Ų7463 Ų6335%0.34632%0.319SS..Hα-helixtrans-68.3-40.6175.8-70.2168.932.300112.3L441 N575 T576 E577 A582 L583L441-Q579 HydrophobicContact CD2-CB 4.11Å; N575-Q579 WeakPolarHBondContact O-CG 3.5Å; N575-Q579 PolarHBondContact O-N 3.23Å; N575-Q579 PolarHBondContact OD1-NE2 3.17Å; T576-Q579 PolarHBondContact O-N 2.89Å; E577-Q579 VanDerWaalsContact C-N 3.33Å; E577-Q579 PolarHBondContact O-N 2.94Å; Q579-A582 PolarHBondContact O-N 2.88Å; Q579-L583 PolarHBondContact O-N 2.89Å
580S77.4Confident79.2Confident6 Ų666.3 Ų66.34%0.04233%0.332CS..Hα-helixtrans-59.9-48.1172.5177.20000111.2L441 E444 T576 E577 A582 L583 L584L441-S580 VanDerWaalsContact CD1-CA 3.45Å; E444-S580 PolarHBondContact OE2-OG 2.83Å; T576-S580 PolarHBondContact O-N 3.48Å; E577-S580 PolarHBondContact O-N 3.05Å; S580-A582 VanDerWaalsContact C-N 3.28Å; S580-A582 PolarHBondContact O-N 3.36Å; S580-L583 PolarHBondContact O-N 2.6Å; S580-L584 WeakPolarHBondContact O-CG 3.45Å; S580-L584 PolarHBondContact O-N 2.9Å
581H78.3Confident78.5Confident108 Ų10864.7 Ų64.750%0.532%0.324SS..Hα-helixtrans-61.2-34.6175.9-177.1-92.5000113E577 R585E577-H581 PolarHBondContact O-N 2.87Å; H581-R585 WeakPolarHBondContact O-CB 3.47Å; H581-R585 PolarHBondContact O-N 2.84Å; H581-R585 VanDerWaalsContact O-N 3.08Å
582A80.5Confident77.8Confident56 Ų5664.8 Ų64.846%0.46332%0.318SS..Hα-helixtrans-67.3-43174.700000112.8M578 Q579 S580 R585 D586M578-A582 WeakPolarHBondContact O-CB 3.31Å; M578-A582 PolarHBondContact O-N 2.77Å; Q579-A582 PolarHBondContact O-N 2.88Å; S580-A582 VanDerWaalsContact C-N 3.28Å; S580-A582 PolarHBondContact O-N 3.36Å; A582-R585 PolarHBondContact O-N 2.84Å; A582-D586 PolarHBondContact O-N 2.84Å
583L80.3Confident77.2Confident48 Ų4867.7 Ų67.725%0.25133%0.325SS..Hα-helixtrans-65.9-44.1176.7-71.4175.2000112.2L441 M448 Q579 S580 R585 D586 S587L441-L583 HydrophobicContact CD1-CD1 3.76Å; L441-L583 HydrophobicContact CD2-CD1 4.27Å; L441-L583 HydrophobicContact CG-CD1 3.74Å; M448-L583 HydrophobicContact CE-CB 4.13Å; Q579-L583 PolarHBondContact O-N 2.89Å; S580-L583 PolarHBondContact O-N 2.6Å; L583-R585 VanDerWaalsContact C-N 3.3Å; L583-R585 PolarHBondContact O-N 3.46Å; L583-D586 PolarHBondContact O-N 3.13Å; L583-S587 WeakPolarHBondContact O-CB 3.5Å; L583-S587 PolarHBondContact O-N 2.62Å
584L76.4Confident76.4Confident37 Ų3769.5 Ų69.519%0.19433%0.333CS..Hα-helixtrans-57.7-43.4174.4-72.4167.6000111.3M448 S580 S587 A588 S661M448-L584 HydrophobicContact CE-CD2 4.24Å; M448-L584 HydrophobicContact SD-CD2 3.83Å; S580-L584 WeakPolarHBondContact O-CG 3.45Å; S580-L584 PolarHBondContact O-N 2.9Å; L584-S587 PolarHBondContact O-N 3.01Å; L584-A588 WeakPolarHBondContact O-CB 3.38Å; L584-A588 PolarHBondContact O-N 3.23Å; L584-S661 WeakPolarHBondContact CD1-O 3.41Å
585R76.2Confident75.6Confident151 Ų15167 Ų6757%0.5733%0.328SS*.Hα-helixtrans-65.8-41.3176.7-171.4179.9-176.9-167.11.5112.8H581 A582 L583 L589H581-R585 WeakPolarHBondContact O-CB 3.47Å; H581-R585 PolarHBondContact O-N 2.84Å; H581-R585 VanDerWaalsContact O-N 3.08Å; A582-R585 PolarHBondContact O-N 2.84Å; L583-R585 VanDerWaalsContact C-N 3.3Å; L583-R585 PolarHBondContact O-N 3.46Å; R585-L589 WeakPolarHBondContact O-CG 3.37Å; R585-L589 PolarHBondContact O-N 3.07Å
586D78.3Confident75Confident54 Ų5465 Ų6529%0.28932%0.319SS..Hα-helixtrans-67.3-42.8175.9-177.662.8000111.7A582 L583 A588 L589 R590A582-D586 PolarHBondContact O-N 2.84Å; L583-D586 PolarHBondContact O-N 3.13Å; D586-A588 VanDerWaalsContact C-N 3.34Å; D586-A588 PolarHBondContact O-N 3.48Å; D586-L589 CarbonylContact O-C 3.59Å; D586-L589 WeakPolarHBondContact O-CA 3.46Å; D586-L589 WeakPolarHBondContact O-CB 3.39Å; D586-L589 PolarHBondContact O-N 2.91Å; D586-R590 WeakPolarHBondContact O-CG 3.39Å; D586-R590 PolarHBondContact O-N 3.12Å; D586-R590 IonicContact OD2-CZ 2.57Å; D586-R590 VanDerWaalsContact OD2-CZ 3.25Å; D586-R590 IonicContact OD2-NE 3.96Å; D586-R590 PolarHBondContact OD2-NE 2.79Å; D586-R590 IonicContact OD2-NH2 2.96Å; D586-R590 PolarHBondContact OD2-NH2 3.38Å
587S72.3Confident74.4Confident10 Ų1070 Ų707%0.0734%0.336CS..Hα-helixtrans-57.8-44.2174.4-179.80000112.3M448 L583 L584 L589 R590 H591M448-S587 WeakPolarHBondContact SD-CB 3.31Å; M448-S587 PolarHBondContact SD-OG 2.73Å; L583-S587 WeakPolarHBondContact O-CB 3.5Å; L583-S587 PolarHBondContact O-N 2.62Å; L584-S587 PolarHBondContact O-N 3.01Å; S587-L589 VanDerWaalsContact C-N 3.29Å; S587-L589 PolarHBondContact O-N 2.86Å; S587-R590 PolarHBondContact O-N 2.91Å; S587-H591 PolarHBondContact O-N 3.29Å; S587-H591 PolarHBondContact O-ND1 2.89Å
588A72.1Confident73.8Confident38 Ų3870.9 Ų70.931%0.31434%0.337SS..Hα-helixtrans-60.6-37.2172.900000112.3L584 D586 R592 L658L584-A588 WeakPolarHBondContact O-CB 3.38Å; L584-A588 PolarHBondContact O-N 3.23Å; D586-A588 VanDerWaalsContact C-N 3.34Å; D586-A588 PolarHBondContact O-N 3.48Å; A588-R592 WeakPolarHBondContact O-CB 3.46Å; A588-R592 PolarHBondContact O-N 2.98Å; A588-L658 HydrophobicContact CB-CD2 4.16Å
589L76.1Confident73.5Confident58 Ų5869.1 Ų69.130%0.30433%0.33SS..Hα-helixtrans-70-35.3173.7-71170.5000113.1R585 D586 S587 R592 R593R585-L589 WeakPolarHBondContact O-CG 3.37Å; R585-L589 PolarHBondContact O-N 3.07Å; D586-L589 CarbonylContact O-C 3.59Å; D586-L589 WeakPolarHBondContact O-CA 3.46Å; D586-L589 WeakPolarHBondContact O-CB 3.39Å; D586-L589 PolarHBondContact O-N 2.91Å; S587-L589 VanDerWaalsContact C-N 3.29Å; S587-L589 PolarHBondContact O-N 2.86Å; L589-R592 PolarHBondContact O-N 3.41Å; L589-R593 WeakPolarHBondContact O-CG 3.49Å; L589-R593 PolarHBondContact O-N 3.46Å
590R72.8Confident72.9Confident82 Ų8270.8 Ų70.831%0.30934%0.337SS..Hα-helixtrans-60.9-51172.5-65-179.2-156.617713.2110.6E449 I452 D586 S587 R592 R593 E594E449-R590 IonicContact OE1-NH1 3.51Å; E449-R590 PolarHBondContact OE1-NH1 3.18Å; E449-R590 VanDerWaalsContact OE1-NH1 3.14Å; I452-R590 HydrophobicContact CD1-CB 4.06Å; D586-R590 WeakPolarHBondContact O-CG 3.39Å; D586-R590 PolarHBondContact O-N 3.12Å; D586-R590 IonicContact OD2-CZ 2.57Å; D586-R590 VanDerWaalsContact OD2-CZ 3.25Å; D586-R590 IonicContact OD2-NE 3.96Å; D586-R590 PolarHBondContact OD2-NE 2.79Å; D586-R590 IonicContact OD2-NH2 2.96Å; D586-R590 PolarHBondContact OD2-NH2 3.38Å; S587-R590 PolarHBondContact O-N 2.91Å; R590-R592 VanDerWaalsContact C-N 3.31Å; R590-R592 PolarHBondContact O-N 3.02Å; R590-R593 PolarHBondContact O-N 3.42Å; R590-E594 PolarHBondContact O-N 2.88Å
591H68.9Low72.8Confident62 Ų6275.6 Ų75.629%0.28736%0.359SS..Hα-helixtrans-58.2-41.8175-71.588.1000111.9I452 S587 E594 A595I452-H591 WeakPolarHBondContact CG1-CE1 3.28Å; S587-H591 PolarHBondContact O-N 3.29Å; S587-H591 PolarHBondContact O-ND1 2.89Å; H591-E594 PolarHBondContact O-N 3.37Å; H591-A595 PolarHBondContact O-N 3.42Å
592R67.2Low72.6Confident84 Ų8476.4 Ų76.432%0.31736%0.363SS..Hα-helixtrans-64.9-41.2178.1-164.3177.172101.7-3.1112.7A588 L589 R590 E594 A595 V596 M650A588-R592 WeakPolarHBondContact O-CB 3.46Å; A588-R592 PolarHBondContact O-N 2.98Å; L589-R592 PolarHBondContact O-N 3.41Å; R590-R592 VanDerWaalsContact C-N 3.31Å; R590-R592 PolarHBondContact O-N 3.02Å; R592-E594 VanDerWaalsContact C-N 3.34Å; R592-E594 PolarHBondContact O-N 2.83Å; R592-A595 PolarHBondContact O-N 2.92Å; R592-V596 WeakPolarHBondContact O-CG2 3.44Å; R592-V596 PolarHBondContact O-N 3.18Å; R592-M650 HydrophobicContact CG-CE 3.95Å
593R72.3Confident72.3Confident158 Ų15879.8 Ų79.860%0.59636%0.364SS*.Hα-helixtrans-59.3-43.5176.2-76.2169.8179138.3-1.8111.6L589 R590 A595 V596 R597L589-R593 WeakPolarHBondContact O-CG 3.49Å; L589-R593 PolarHBondContact O-N 3.46Å; R590-R593 PolarHBondContact O-N 3.42Å; R593-A595 PolarHBondContact O-N 2.93Å; R593-V596 PolarHBondContact O-N 3.31Å; R593-R597 WeakPolarHBondContact O-CB 3.37Å; R593-R597 PolarHBondContact O-N 3.49Å
594E65.9Low72.2Confident48 Ų4879.9 Ų79.922%0.22437%0.368CS..Hα-helixtrans-66.7-36.4179.117959.3-174.800112.7R590 H591 R592 R597 R598R590-E594 PolarHBondContact O-N 2.88Å; H591-E594 PolarHBondContact O-N 3.37Å; R592-E594 VanDerWaalsContact C-N 3.34Å; R592-E594 PolarHBondContact O-N 2.83Å; E594-R597 IonicContact OE1-CZ 3.06Å; E594-R597 IonicContact OE1-NE 2.95Å; E594-R597 IonicContact OE1-NH2 2.73Å; E594-R597 PolarHBondContact OE1-NH2 3.28Å; E594-R597 IonicContact OE2-CZ 3.9Å; E594-R597 IonicContact OE2-NE 3.83Å; E594-R597 PolarHBondContact OE2-NE 3.08Å; E594-R597 IonicContact OE2-NH2 2.69Å; E594-R597 PolarHBondContact OE2-NH2 2.82Å; E594-R598 WeakPolarHBondContact O-CG 3.41Å; E594-R598 PolarHBondContact O-N 3.48Å; E594-R598 IonicContact OE1-CZ 3.82Å; E594-R598 IonicContact OE1-NE 3.45Å; E594-R598 PolarHBondContact OE1-NE 2.94Å; E594-R598 IonicContact OE1-NH2 3.24Å; E594-R598 PolarHBondContact OE1-NH2 2.7Å
595A65.7Low72.5Confident42 Ų4282.5 Ų82.535%0.34738%0.382SS..Hα-helixtrans-66.4-40.9172.900000112.6H591 R592 R593 R598 L599 M650H591-A595 PolarHBondContact O-N 3.42Å; R592-A595 PolarHBondContact O-N 2.92Å; R593-A595 PolarHBondContact O-N 2.93Å; A595-R598 PolarHBondContact O-N 3.4Å; A595-L599 WeakPolarHBondContact O-CG 2.75Å; A595-L599 PolarHBondContact O-N 2.94Å; A595-M650 HydrophobicContact CB-CE 4.16Å
596V69.7Low72.8Confident41 Ų4177 Ų7725%0.24837%0.366CS..Hα-helixtrans-62.9-48.1175.4171.10000110.9R592 R593 R598 L599 E600 M650R592-V596 WeakPolarHBondContact O-CG2 3.44Å; R592-V596 PolarHBondContact O-N 3.18Å; R593-V596 PolarHBondContact O-N 3.31Å; V596-R598 PolarHBondContact O-N 3.23Å; V596-L599 WeakPolarHBondContact O-CA 3.48Å; V596-L599 WeakPolarHBondContact O-CB 3.34Å; V596-L599 PolarHBondContact O-N 2.74Å; V596-E600 HydrophobicContact CG1-CG 4.2Å; V596-E600 WeakPolarHBondContact CG1-OE1 3.47Å; V596-E600 WeakPolarHBondContact O-CG 3.36Å; V596-E600 PolarHBondContact O-N 3.46Å; V596-M650 HydrophobicContact CG2-CE 3.74Å; V596-M650 HydrophobicContact CG2-SD 4.04Å
597R71.5Confident73Confident127 Ų12776 Ų7648%0.47936%0.361SS..Hα-helixtrans-52.6-40.7178.5-174.9172.273.8122.34.4112.9R593 E594 E600 Q601R593-R597 WeakPolarHBondContact O-CB 3.37Å; R593-R597 PolarHBondContact O-N 3.49Å; E594-R597 IonicContact OE1-CZ 3.06Å; E594-R597 IonicContact OE1-NE 2.95Å; E594-R597 IonicContact OE1-NH2 2.73Å; E594-R597 PolarHBondContact OE1-NH2 3.28Å; E594-R597 IonicContact OE2-CZ 3.9Å; E594-R597 IonicContact OE2-NE 3.83Å; E594-R597 PolarHBondContact OE2-NE 3.08Å; E594-R597 IonicContact OE2-NH2 2.69Å; E594-R597 PolarHBondContact OE2-NH2 2.82Å; R597-E600 PolarHBondContact O-N 2.87Å; R597-Q601 VanDerWaalsContact O-CG 3.28Å; R597-Q601 WeakPolarHBondContact O-CG 3.37Å; R597-Q601 PolarHBondContact O-N 3.24Å
598R66.7Low73.6Confident71 Ų7181.2 Ų81.227%0.26838%0.384SS..Hα-helixtrans-72.5-35.1178.4-65.7167.7-170.3-177.4-2.6112.9E594 A595 V596 H602E594-R598 WeakPolarHBondContact O-CG 3.41Å; E594-R598 PolarHBondContact O-N 3.48Å; E594-R598 IonicContact OE1-CZ 3.82Å; E594-R598 IonicContact OE1-NE 3.45Å; E594-R598 PolarHBondContact OE1-NE 2.94Å; E594-R598 IonicContact OE1-NH2 3.24Å; E594-R598 PolarHBondContact OE1-NH2 2.7Å; A595-R598 PolarHBondContact O-N 3.4Å; V596-R598 PolarHBondContact O-N 3.23Å; R598-H602 WeakPolarHBondContact O-CB 3.45Å; R598-H602 PolarHBondContact O-N 2.87Å
599L71Confident74.3Confident97 Ų9783.6 Ų83.651%0.50839%0.391SS..Hα-helixtrans-68.3-36.6173.1-70.3169.7000111.5A595 V596 H602 R603 M650A595-L599 WeakPolarHBondContact O-CG 2.75Å; A595-L599 PolarHBondContact O-N 2.94Å; V596-L599 WeakPolarHBondContact O-CA 3.48Å; V596-L599 WeakPolarHBondContact O-CB 3.34Å; V596-L599 PolarHBondContact O-N 2.74Å; L599-H602 PolarHBondContact O-N 3.43Å; L599-R603 PolarHBondContact O-N 3.33Å; L599-M650 HydrophobicContact CD1-SD 4.27Å
600E72.3Confident74.7Confident108 Ų10882.2 Ų82.251%0.50538%0.384SS..Hα-helixtrans-66.4-45.5174.5-69.6167.4157.200111.5V596 R597 H602 R603 S604V596-E600 HydrophobicContact CG1-CG 4.2Å; V596-E600 WeakPolarHBondContact CG1-OE1 3.47Å; V596-E600 WeakPolarHBondContact O-CG 3.36Å; V596-E600 PolarHBondContact O-N 3.46Å; R597-E600 PolarHBondContact O-N 2.87Å; E600-H602 PolarHBondContact O-N 3Å; E600-R603 PolarHBondContact O-N 3.27Å; E600-R603 VanDerWaalsContact O-N 3.15Å; E600-S604 PolarHBondContact O-N 2.61Å
601Q73.3Confident75.4Confident107 Ų10784.4 Ų84.450%0.540%0.397SS..Hα-helixtrans-60.8-40.6173-74172.4-38.500112.7R597 R603 S604 L605R597-Q601 VanDerWaalsContact O-CG 3.28Å; R597-Q601 WeakPolarHBondContact O-CG 3.37Å; R597-Q601 PolarHBondContact O-N 3.24Å; Q601-R603 VanDerWaalsContact C-N 3.33Å; Q601-S604 PolarHBondContact O-OG 3.2Å; Q601-S604 VanDerWaalsContact O-OG 3.1Å; Q601-L605 WeakPolarHBondContact O-CB 3.49Å; Q601-L605 PolarHBondContact O-N 3.5Å; Q601-L605 VanDerWaalsContact O-N 3.1Å
602H75Confident76.2Confident126 Ų12683 Ų8358%0.58340%0.399SS*.Hα-helixtrans-67.1-35.2174.6-169.4-51.4000111.4R598 L599 E600 C606R598-H602 WeakPolarHBondContact O-CB 3.45Å; R598-H602 PolarHBondContact O-N 2.87Å; L599-H602 PolarHBondContact O-N 3.43Å; E600-H602 PolarHBondContact O-N 3Å; H602-C606 PolarHBondContact ND1-SG 3.4Å; H602-C606 VanDerWaalsContact ND1-SG 3.4Å; H602-C606 PolarHBondContact O-N 3.32Å; H602-C606 VanDerWaalsContact O-N 3.12Å; H602-C606 PolarHBondContact O-SG 3.22Å
603R74.4Confident77.1Confident127 Ų12782.9 Ų82.948%0.47940%0.403SS..Hα-helixtrans-70.1-44.7176.3-160.6-17373.4-147.8-6.9111.6L599 E600 Q601 L605 C606 D607L599-R603 PolarHBondContact O-N 3.33Å; E600-R603 PolarHBondContact O-N 3.27Å; E600-R603 VanDerWaalsContact O-N 3.15Å; Q601-R603 VanDerWaalsContact C-N 3.33Å; R603-L605 VanDerWaalsContact C-N 3.28Å; R603-L605 PolarHBondContact O-N 2.79Å; R603-C606 CarbonylContact O-C 3.59Å; R603-C606 WeakPolarHBondContact O-CA 3.31Å; R603-C606 WeakPolarHBondContact O-CB 3.45Å; R603-C606 PolarHBondContact O-N 3.44Å; R603-D607 IonicContact NE-OD2 3.36Å; R603-D607 PolarHBondContact O-N 2.75Å
604S78.6Confident77.7Confident49 Ų4980.3 Ų80.334%0.34339%0.393SS..Hα-helixtrans-61.2-38.5177.167.30000111.9E600 Q601 C606 D607 E608E600-S604 PolarHBondContact O-N 2.61Å; Q601-S604 PolarHBondContact O-OG 3.2Å; Q601-S604 VanDerWaalsContact O-OG 3.1Å; S604-C606 VanDerWaalsContact C-N 3.32Å; S604-C606 PolarHBondContact O-N 2.96Å; S604-D607 WeakPolarHBondContact O-CB 3.4Å; S604-D607 PolarHBondContact O-N 3.41Å; S604-E608 WeakPolarHBondContact O-CB 3.32Å; S604-E608 VanDerWaalsContact O-CG 3.32Å; S604-E608 WeakPolarHBondContact O-CG 3.18Å; S604-E608 PolarHBondContact O-N 3.24Å
605L81.3Confident78.6Confident93 Ų9383 Ų8349%0.48741%0.406SS..Hα-helixtrans-63.5-35.9172.9-173.865.3000112.5Q601 R603 I609Q601-L605 WeakPolarHBondContact O-CB 3.49Å; Q601-L605 PolarHBondContact O-N 3.5Å; Q601-L605 VanDerWaalsContact O-N 3.1Å; R603-L605 VanDerWaalsContact C-N 3.28Å; R603-L605 PolarHBondContact O-N 2.79Å; L605-I609 HydrophobicContact CD1-CD1 4.4Å; L605-I609 HydrophobicContact CG-CD1 4.05Å; L605-I609 WeakPolarHBondContact O-CB 3.39Å; L605-I609 WeakPolarHBondContact O-CD1 3.5Å; L605-I609 WeakPolarHBondContact O-CG1 3.42Å; L605-I609 PolarHBondContact O-N 2.8Å
606C82.8Confident79.6Confident35 Ų3585.6 Ų85.624%0.23641%0.412CS..Hα-helixtrans-69.3-42.1172.7-64.20000111.9H602 R603 S604 E608 I609 I610 Y635H602-C606 PolarHBondContact ND1-SG 3.4Å; H602-C606 VanDerWaalsContact ND1-SG 3.4Å; H602-C606 PolarHBondContact O-N 3.32Å; H602-C606 VanDerWaalsContact O-N 3.12Å; H602-C606 PolarHBondContact O-SG 3.22Å; R603-C606 CarbonylContact O-C 3.59Å; R603-C606 WeakPolarHBondContact O-CA 3.31Å; R603-C606 WeakPolarHBondContact O-CB 3.45Å; R603-C606 PolarHBondContact O-N 3.44Å; S604-C606 VanDerWaalsContact C-N 3.32Å; S604-C606 PolarHBondContact O-N 2.96Å; C606-E608 VanDerWaalsContact C-N 3.33Å; C606-E608 PolarHBondContact O-N 2.75Å; C606-I609 PolarHBondContact O-N 2.86Å; C606-I610 WeakPolarHBondContact O-CB 3.36Å; C606-I610 VanDerWaalsContact O-CG1 3.27Å; C606-I610 WeakPolarHBondContact O-CG1 3.39Å; C606-I610 PolarHBondContact O-N 3.04Å; C606-Y635 HydrophobicContact CB-CE2 4.17Å
607D82.4Confident80.3Confident33 Ų3384.8 Ų84.818%0.17641%0.406CS..Hα-helixtrans-58.9-44175-71.8-43.4000111R603 S604 Q611 Y635R603-D607 IonicContact NE-OD2 3.36Å; R603-D607 PolarHBondContact O-N 2.75Å; S604-D607 WeakPolarHBondContact O-CB 3.4Å; S604-D607 PolarHBondContact O-N 3.41Å; D607-Q611 WeakPolarHBondContact O-CB 3.38Å; D607-Q611 VanDerWaalsContact O-CG 3.23Å; D607-Q611 WeakPolarHBondContact O-CG 3.39Å; D607-Q611 PolarHBondContact O-N 2.77Å; D607-Q611 PolarHBondContact O-NE2 3.38Å; D607-Q611 VanDerWaalsContact O-NE2 3.14Å; D607-Y635 VanDerWaalsContact CG-OH 3.24Å; D607-Y635 PolarHBondContact N-OH 3.35Å; D607-Y635 WeakPolarHBondContact OD1-CE1 3.18Å; D607-Y635 PolarHBondContact OD1-OH 3.38Å
608E86.3Confident80.9Confident120 Ų12084 Ų8456%0.56141%0.411SS*.Hα-helixtrans-65.5-45.5176.1-75.1166.9-151.500112.3S604 C606 I610 Q611 G612S604-E608 WeakPolarHBondContact O-CB 3.32Å; S604-E608 VanDerWaalsContact O-CG 3.32Å; S604-E608 WeakPolarHBondContact O-CG 3.18Å; S604-E608 PolarHBondContact O-N 3.24Å; C606-E608 VanDerWaalsContact C-N 3.33Å; C606-E608 PolarHBondContact O-N 2.75Å; E608-I610 VanDerWaalsContact C-N 3.35Å; E608-I610 PolarHBondContact O-N 3.1Å; E608-Q611 PolarHBondContact O-N 2.96Å; E608-G612 PolarHBondContact O-N 2.93Å
609I86Confident81.8Confident87 Ų8785.7 Ų85.745%0.44643%0.426SS..Hα-helixtrans-62.3-42.3176.7-72.3165.7000111L605 C606 G612 Q613L605-I609 HydrophobicContact CD1-CD1 4.4Å; L605-I609 HydrophobicContact CG-CD1 4.05Å; L605-I609 WeakPolarHBondContact O-CB 3.39Å; L605-I609 WeakPolarHBondContact O-CD1 3.5Å; L605-I609 WeakPolarHBondContact O-CG1 3.42Å; L605-I609 PolarHBondContact O-N 2.8Å; C606-I609 PolarHBondContact O-N 2.86Å; I609-G612 PolarHBondContact O-N 2.85Å; I609-Q613 WeakPolarHBondContact O-CB 3.49Å; I609-Q613 VanDerWaalsContact O-CG 3.29Å; I609-Q613 WeakPolarHBondContact O-CG 3.46Å; I609-Q613 PolarHBondContact O-N 2.88Å
610I85.6Confident82.5Confident30 Ų3089.3 Ų89.315%0.15443%0.434CS..Hα-helixtrans-72-36.9-179-70.1169000111.2C606 E608 R614 Y632 Y635C606-I610 WeakPolarHBondContact O-CB 3.36Å; C606-I610 VanDerWaalsContact O-CG1 3.27Å; C606-I610 WeakPolarHBondContact O-CG1 3.39Å; C606-I610 PolarHBondContact O-N 3.04Å; E608-I610 VanDerWaalsContact C-N 3.35Å; E608-I610 PolarHBondContact O-N 3.1Å; I610-R614 WeakPolarHBondContact O-CB 3.44Å; I610-R614 WeakPolarHBondContact O-CG 3.42Å; I610-R614 PolarHBondContact O-N 2.89Å; I610-Y632 HydrophobicContact CB-CE1 4.44Å; I610-Y632 HydrophobicContact CG1-CE1 4.13Å; I610-Y632 HydrophobicContact CG2-CD1 3.91Å; I610-Y632 HydrophobicContact CG2-CE1 3.77Å; I610-Y635 HydrophobicContact CD1-CD1 3.49Å; I610-Y635 VanDerWaalsContact CD1-CD1 3.49Å; I610-Y635 HydrophobicContact CD1-CD2 3.76Å; I610-Y635 HydrophobicContact CD1-CE1 3.53Å; I610-Y635 HydrophobicContact CD1-CE2 3.8Å; I610-Y635 HydrophobicContact CD1-CG 3.62Å
611Q86.2Confident82.7Confident128 Ų12891.5 Ų91.560%0.59845%0.449SS*.Hα-helixtrans-64.3-44.2171-76.216861.200111.5D607 E608 R614 Q615D607-Q611 WeakPolarHBondContact O-CB 3.38Å; D607-Q611 VanDerWaalsContact O-CG 3.23Å; D607-Q611 WeakPolarHBondContact O-CG 3.39Å; D607-Q611 PolarHBondContact O-N 2.77Å; D607-Q611 PolarHBondContact O-NE2 3.38Å; D607-Q611 VanDerWaalsContact O-NE2 3.14Å; E608-Q611 PolarHBondContact O-N 2.96Å; Q611-R614 PolarHBondContact O-N 3.13Å; Q611-Q615 WeakPolarHBondContact O-CB 3.48Å; Q611-Q615 PolarHBondContact O-N 2.8Å
612G86.9Confident83.1Confident32 Ų3290.9 Ų90.933%0.3345%0.449SS..Hα-helixtrans-62.7-41.5175.600000113.2E608 I609 Q615 I616E608-G612 PolarHBondContact O-N 2.93Å; I609-G612 PolarHBondContact O-N 2.85Å; G612-Q615 PolarHBondContact O-N 2.86Å; G612-I616 WeakPolarHBondContact O-CD1 3.36Å; G612-I616 VanDerWaalsContact O-CG1 3.28Å; G612-I616 WeakPolarHBondContact O-CG1 3.45Å; G612-I616 PolarHBondContact O-N 2.74Å
613Q86Confident83.2Confident82 Ų8294 Ų9438%0.38346%0.464SS..Hα-helixtrans-61.9-45.2173.6-76.1175.1-6.700112.1I609 I616 I617 Y632I609-Q613 WeakPolarHBondContact O-CB 3.49Å; I609-Q613 VanDerWaalsContact O-CG 3.29Å; I609-Q613 WeakPolarHBondContact O-CG 3.46Å; I609-Q613 PolarHBondContact O-N 2.88Å; Q613-I616 PolarHBondContact O-N 3.47Å; Q613-I617 VanDerWaalsContact O-CG1 3.3Å; Q613-I617 WeakPolarHBondContact O-CG1 3.5Å; Q613-I617 PolarHBondContact O-N 2.97Å; Q613-Y632 VanDerWaalsContact CB-OH 3.29Å; Q613-Y632 WeakPolarHBondContact CB-OH 3.11Å; Q613-Y632 PolarHBondContact OE1-OH 2.85Å
614R83.8Confident83.4Confident103 Ų10390.2 Ų90.239%0.38946%0.455SS..Hα-helixtrans-63.6-44.8177.3-76.8175.1166.8-130.7-5.9112I610 Q611 I616 I617 D618 Y632I610-R614 WeakPolarHBondContact O-CB 3.44Å; I610-R614 WeakPolarHBondContact O-CG 3.42Å; I610-R614 PolarHBondContact O-N 2.89Å; Q611-R614 PolarHBondContact O-N 3.13Å; R614-I616 VanDerWaalsContact C-N 3.3Å; R614-I616 PolarHBondContact O-N 3.03Å; R614-I617 WeakPolarHBondContact O-CB 3.35Å; R614-I617 PolarHBondContact O-N 3Å; R614-I617 VanDerWaalsContact O-N 3.09Å; R614-D618 WeakPolarHBondContact O-CB 3.36Å; R614-D618 VanDerWaalsContact O-CG 3.26Å; R614-D618 PolarHBondContact O-N 3.22Å; R614-Y632 HydrophobicContact CG-CE2 4.08Å
615Q85.9Confident83.6Confident106 Ų10691.8 Ų91.850%0.49546%0.464SS..Hα-helixtrans-57.8-42.4175-169.167.458.700111.5Q611 G612 D618 D619Q611-Q615 WeakPolarHBondContact O-CB 3.48Å; Q611-Q615 PolarHBondContact O-N 2.8Å; G612-Q615 PolarHBondContact O-N 2.86Å; Q615-D618 PolarHBondContact O-N 3.2Å; Q615-D619 PolarHBondContact NE2-OD1 3.03Å; Q615-D619 WeakPolarHBondContact O-CB 3.2Å; Q615-D619 PolarHBondContact O-N 2.72Å
616I85.8Confident83.5Confident95 Ų9597.2 Ų97.249%0.48748%0.478SS..Hα-helixtrans-66.8-37.3176-67.7164.5000111.9G612 Q613 R614 Y620G612-I616 WeakPolarHBondContact O-CD1 3.36Å; G612-I616 VanDerWaalsContact O-CG1 3.28Å; G612-I616 WeakPolarHBondContact O-CG1 3.45Å; G612-I616 PolarHBondContact O-N 2.74Å; Q613-I616 PolarHBondContact O-N 3.47Å; R614-I616 VanDerWaalsContact C-N 3.3Å; R614-I616 PolarHBondContact O-N 3.03Å; I616-Y620 HydrophobicContact CG2-CD2 4.13Å; I616-Y620 WeakPolarHBondContact O-CB 3.32Å; I616-Y620 WeakPolarHBondContact O-CD2 3.28Å; I616-Y620 PolarHBondContact O-N 2.76Å
617I84.9Confident83.7Confident24 Ų24101.3 Ų101.312%0.12349%0.493CS..Hα-helixtrans-63.4-47175.1-75.1163.3000110.5Q613 R614 N621 L622 V624 L628 Y632Q613-I617 VanDerWaalsContact O-CG1 3.3Å; Q613-I617 WeakPolarHBondContact O-CG1 3.5Å; Q613-I617 PolarHBondContact O-N 2.97Å; R614-I617 WeakPolarHBondContact O-CB 3.35Å; R614-I617 PolarHBondContact O-N 3Å; R614-I617 VanDerWaalsContact O-N 3.09Å; I617-N621 WeakPolarHBondContact O-CA 3.38Å; I617-N621 PolarHBondContact O-N 3.25Å; I617-L622 PolarHBondContact O-N 3.43Å; I617-V624 HydrophobicContact CD1-CG2 4.44Å; I617-V624 HydrophobicContact CG2-CG2 3.63Å; I617-L628 HydrophobicContact CD1-CD2 4.13Å; I617-Y632 HydrophobicContact CD1-CE2 4.37Å
618D83.9Confident83.8Confident110 Ų110102.2 Ų102.259%0.58850%0.498SS*.Hα-helixtrans-69.4-44.6-179-64-25.8000111.5R614 Q615 Y620 N621R614-D618 WeakPolarHBondContact O-CB 3.36Å; R614-D618 VanDerWaalsContact O-CG 3.26Å; R614-D618 PolarHBondContact O-N 3.22Å; Q615-D618 PolarHBondContact O-N 3.2Å; D618-Y620 VanDerWaalsContact C-N 3.35Å; D618-Y620 PolarHBondContact O-N 2.97Å; D618-N621 PolarHBondContact O-N 2.94Å
619D85.5Confident83.6Confident107 Ų107101.4 Ų101.457%0.57249%0.494SS*.Hα-helixtrans-63.2-36.8-179.9-74.5-11.9000112.8Q615Q615-D619 PolarHBondContact NE2-OD1 3.03Å; Q615-D619 WeakPolarHBondContact O-CB 3.2Å; Q615-D619 PolarHBondContact O-N 2.72Å
620Y84.8Confident83.5Confident174 Ų174102.4 Ų102.468%0.68250%0.497SS*.THydrogen-bonded Turntrans-100.33.7179.8-70.6-93.1000113.3I616 D618 L622I616-Y620 HydrophobicContact CG2-CD2 4.13Å; I616-Y620 WeakPolarHBondContact O-CB 3.32Å; I616-Y620 WeakPolarHBondContact O-CD2 3.28Å; I616-Y620 PolarHBondContact O-N 2.76Å; D618-Y620 VanDerWaalsContact C-N 3.35Å; D618-Y620 PolarHBondContact O-N 2.97Å; Y620-L622 VanDerWaalsContact C-N 3.27Å; Y620-L622 PolarHBondContact O-N 3.29Å
621N77.6Confident83.4Confident154 Ų154105.3 Ų105.382%0.82451%0.512SS*.THydrogen-bonded Turntrans53.741176.9-139.924.1000113.1I617 D618I617-N621 WeakPolarHBondContact O-CA 3.38Å; I617-N621 PolarHBondContact O-N 3.25Å; D618-N621 PolarHBondContact O-N 2.94Å
622L81.1Confident83.4Confident94 Ų9499.9 Ų99.949%0.49249%0.486SS..PPolyproline II helixtrans-81.2135.5-173.1-62.9173.5000111.6I617 Y620 V624I617-L622 PolarHBondContact O-N 3.43Å; Y620-L622 VanDerWaalsContact C-N 3.27Å; Y620-L622 PolarHBondContact O-N 3.29Å; L622-V624 PolarHBondContact O-N 3.46Å
623E77.6Confident83.1Confident191 Ų191103.7 Ų103.789%0.89350%0.495SS*.PPolyproline II helixtrans-62.9119.1171.1-69.9-166.6159.800110.5P625E623-P625 VanDerWaalsContact O-CD 3.31Å; E623-P625 WeakPolarHBondContact O-CD 3.28Å
624V77.7Confident82.8Confident47 Ų47103.6 Ų103.629%0.28550%0.5SS..PPolyproline II helixtrans-68.3121.3175.1-1760000108.9I617 L622 R626 L628 E629I617-V624 HydrophobicContact CD1-CG2 4.44Å; I617-V624 HydrophobicContact CG2-CG2 3.63Å; L622-V624 PolarHBondContact O-N 3.46Å; V624-R626 PolarHBondContact O-N 2.6Å; V624-L628 HydrophobicContact CG1-CB 4.24Å; V624-L628 HydrophobicContact CG1-CD2 4.46Å; V624-L628 HydrophobicContact CG1-CG 4.45Å; V624-E629 HydrophobicContact CG1-CB 3.89Å; V624-E629 HydrophobicContact CG1-CG 4.38Å
625P84.3Confident82.6Confident83 Ų83101 Ų10154%0.53949%0.491SS..PPolyproline II helixtrans-62.9128.4171.8-19.832.9000108.8E623 H627 L628 E629E623-P625 VanDerWaalsContact O-CD 3.31Å; E623-P625 WeakPolarHBondContact O-CD 3.28Å; P625-H627 PolarHBondContact O-N 3.43Å; P625-L628 WeakPolarHBondContact O-CA 3.48Å; P625-L628 WeakPolarHBondContact O-CB 3.49Å; P625-L628 PolarHBondContact O-N 2.81Å; P625-E629 PolarHBondContact O-N 3.28Å
626R79.4Confident82.1Confident207 Ų207100 Ų10078%0.78149%0.488SS*.Hα-helixtrans-48.1-33.9-176.3-68.5-175.6-179.2179.50.5114.2V624 E629 E630V624-R626 PolarHBondContact O-N 2.6Å; R626-E629 WeakPolarHBondContact O-CB 3.44Å; R626-E629 PolarHBondContact O-N 3.47Å; R626-E630 VanDerWaalsContact O-CG 3.3Å; R626-E630 WeakPolarHBondContact O-CG 3.42Å; R626-E630 PolarHBondContact O-N 3.28Å
627H85.2Confident81.5Confident121 Ų121101.2 Ų101.256%0.5649%0.487SS*.Hα-helixtrans-67.9-32.1176.7-170.548000114P625 E630 L631P625-H627 PolarHBondContact O-N 3.43Å; H627-E630 IonicContact CE1-OE2 2.73Å; H627-E630 IonicContact CG-OE2 3.57Å; H627-E630 IonicContact ND1-OE2 3.59Å; H627-E630 PolarHBondContact ND1-OE2 2.89Å; H627-L631 WeakPolarHBondContact O-CB 3.49Å; H627-L631 WeakPolarHBondContact O-CD1 3.46Å; H627-L631 WeakPolarHBondContact O-CG 3.47Å; H627-L631 PolarHBondContact O-N 3.16Å
628L85Confident80.7Confident51 Ų51104.9 Ų104.927%0.26750%0.504SS..Hα-helixtrans-72.2-35.3171.1-175.861.6000111.1I617 V624 P625 L631 Y632I617-L628 HydrophobicContact CD1-CD2 4.13Å; V624-L628 HydrophobicContact CG1-CB 4.24Å; V624-L628 HydrophobicContact CG1-CD2 4.46Å; V624-L628 HydrophobicContact CG1-CG 4.45Å; P625-L628 WeakPolarHBondContact O-CA 3.48Å; P625-L628 WeakPolarHBondContact O-CB 3.49Å; P625-L628 PolarHBondContact O-N 2.81Å; L628-L631 PolarHBondContact O-N 3.48Å; L628-Y632 HydrophobicContact CD1-CE1 3.94Å; L628-Y632 HydrophobicContact CD1-CE2 4.18Å; L628-Y632 HydrophobicContact CD2-CE2 4.08Å; L628-Y632 HydrophobicContact CG-CD2 4.27Å; L628-Y632 HydrophobicContact CG-CE1 4.41Å; L628-Y632 HydrophobicContact CG-CE2 3.74Å; L628-Y632 PolarHBondContact O-N 2.91Å
629E81.8Confident80Confident104 Ų104102.6 Ų102.649%0.48649%0.491SS..Hα-helixtrans-63.3-47.9174-154.9168-143.500111.3V624 P625 R626 L631 Y632 E633V624-E629 HydrophobicContact CG1-CB 3.89Å; V624-E629 HydrophobicContact CG1-CG 4.38Å; P625-E629 PolarHBondContact O-N 3.28Å; R626-E629 WeakPolarHBondContact O-CB 3.44Å; R626-E629 PolarHBondContact O-N 3.47Å; E629-L631 VanDerWaalsContact C-N 3.34Å; E629-L631 PolarHBondContact O-N 3.47Å; E629-Y632 PolarHBondContact O-N 3.04Å; E629-E633 PolarHBondContact O-N 2.81Å
630E84.4Confident78.7Confident108 Ų108105.7 Ų105.751%0.50550%0.502SS..Hα-helixtrans-53.8-45.7169.2-73166.7-179.800112.1R626 H627 E633 V634R626-E630 VanDerWaalsContact O-CG 3.3Å; R626-E630 WeakPolarHBondContact O-CG 3.42Å; R626-E630 PolarHBondContact O-N 3.28Å; H627-E630 IonicContact CE1-OE2 2.73Å; H627-E630 IonicContact CG-OE2 3.57Å; H627-E630 IonicContact ND1-OE2 3.59Å; H627-E630 PolarHBondContact ND1-OE2 2.89Å; E630-E633 PolarHBondContact O-N 3.11Å; E630-V634 WeakPolarHBondContact O-CG2 3.25Å; E630-V634 PolarHBondContact O-N 3.5Å
631L84.6Confident77.3Confident90 Ų90104 Ų10447%0.47150%0.5SS..Hα-helixtrans-66.3-36.8178.8-75.3168.4000112.2H627 L628 E629 V634 Y635H627-L631 WeakPolarHBondContact O-CB 3.49Å; H627-L631 WeakPolarHBondContact O-CD1 3.46Å; H627-L631 WeakPolarHBondContact O-CG 3.47Å; H627-L631 PolarHBondContact O-N 3.16Å; L628-L631 PolarHBondContact O-N 3.48Å; E629-L631 VanDerWaalsContact C-N 3.34Å; E629-L631 PolarHBondContact O-N 3.47Å; L631-V634 PolarHBondContact O-N 3.05Å; L631-Y635 WeakPolarHBondContact O-CB 3.31Å; L631-Y635 PolarHBondContact O-N 3.34Å
632Y84.7Confident76.2Confident14 Ų1497.3 Ų97.36%0.05547%0.467CS..Hα-helixtrans-70.5-38173.1-68.4-28.6000112.5I610 Q613 R614 I617 L628 E629 Y635 L636I610-Y632 HydrophobicContact CB-CE1 4.44Å; I610-Y632 HydrophobicContact CG1-CE1 4.13Å; I610-Y632 HydrophobicContact CG2-CD1 3.91Å; I610-Y632 HydrophobicContact CG2-CE1 3.77Å; Q613-Y632 VanDerWaalsContact CB-OH 3.29Å; Q613-Y632 WeakPolarHBondContact CB-OH 3.11Å; Q613-Y632 PolarHBondContact OE1-OH 2.85Å; R614-Y632 HydrophobicContact CG-CE2 4.08Å; I617-Y632 HydrophobicContact CD1-CE2 4.37Å; L628-Y632 HydrophobicContact CD1-CE1 3.94Å; L628-Y632 HydrophobicContact CD1-CE2 4.18Å; L628-Y632 HydrophobicContact CD2-CE2 4.08Å; L628-Y632 HydrophobicContact CG-CD2 4.27Å; L628-Y632 HydrophobicContact CG-CE1 4.41Å; L628-Y632 HydrophobicContact CG-CE2 3.74Å; L628-Y632 PolarHBondContact O-N 2.91Å; E629-Y632 PolarHBondContact O-N 3.04Å; Y632-Y635 PolarHBondContact O-N 3.1Å; Y632-L636 WeakPolarHBondContact O-CB 3.5Å; Y632-L636 VanDerWaalsContact O-CG 3.3Å; Y632-L636 WeakPolarHBondContact O-CG 3.28Å; Y632-L636 PolarHBondContact O-N 3.45Å
633E80.9Confident74.9Confident112 Ų11297.1 Ų97.152%0.52347%0.474SS..Hα-helixtrans-58.9-46.6170.5-84-160.8-171.900111.5E629 E630 Y635 L636 R637E629-E633 PolarHBondContact O-N 2.81Å; E630-E633 PolarHBondContact O-N 3.11Å; E633-Y635 VanDerWaalsContact C-N 3.35Å; E633-L636 PolarHBondContact O-N 3.21Å; E633-R637 WeakPolarHBondContact O-CB 3.49Å; E633-R637 PolarHBondContact O-N 3.14Å; E633-R637 IonicContact OE2-CZ 2.7Å; E633-R637 IonicContact OE2-NH2 3.36Å; E633-R637 PolarHBondContact OE2-NH2 2.87Å
634V80.4Confident73.3Confident80 Ų8094.1 Ų94.149%0.48546%0.463SS..Hα-helixtrans-63.7-40.3177.9169.60000111.1E630 L631 R637 E638E630-V634 WeakPolarHBondContact O-CG2 3.25Å; E630-V634 PolarHBondContact O-N 3.5Å; L631-V634 PolarHBondContact O-N 3.05Å; V634-R637 PolarHBondContact O-N 2.59Å; V634-E638 WeakPolarHBondContact O-CB 3.42Å; V634-E638 PolarHBondContact O-N 3.44Å
635Y78.9Confident72Confident49 Ų4998.4 Ų98.419%0.19248%0.48CS..Hα-helixtrans-62.6-44.4175.8-177.3-101.1000112.4C606 D607 I610 L631 Y632 E633 R637 E638 L639C606-Y635 HydrophobicContact CB-CE2 4.17Å; D607-Y635 VanDerWaalsContact CG-OH 3.24Å; D607-Y635 PolarHBondContact N-OH 3.35Å; D607-Y635 WeakPolarHBondContact OD1-CE1 3.18Å; D607-Y635 PolarHBondContact OD1-OH 3.38Å; I610-Y635 HydrophobicContact CD1-CD1 3.49Å; I610-Y635 VanDerWaalsContact CD1-CD1 3.49Å; I610-Y635 HydrophobicContact CD1-CD2 3.76Å; I610-Y635 HydrophobicContact CD1-CE1 3.53Å; I610-Y635 HydrophobicContact CD1-CE2 3.8Å; I610-Y635 HydrophobicContact CD1-CG 3.62Å; L631-Y635 WeakPolarHBondContact O-CB 3.31Å; L631-Y635 PolarHBondContact O-N 3.34Å; Y632-Y635 PolarHBondContact O-N 3.1Å; E633-Y635 VanDerWaalsContact C-N 3.35Å; Y635-R637 VanDerWaalsContact C-N 3.34Å; Y635-R637 PolarHBondContact O-N 3.35Å; Y635-E638 PolarHBondContact O-N 2.69Å; Y635-L639 HydrophobicContact CD1-CD1 3.89Å; Y635-L639 HydrophobicContact CE1-CD1 3.37Å; Y635-L639 HydrophobicContact CE1-CG 4.21Å; Y635-L639 WeakPolarHBondContact O-CB 3.34Å; Y635-L639 PolarHBondContact O-N 2.71Å
636L75.1Confident70.5Confident85 Ų85101.1 Ų101.145%0.44548%0.48SS..Hα-helixtrans-64.7-38.3176.3-70.1167.8000111.6Y632 E633 L639 E640Y632-L636 WeakPolarHBondContact O-CB 3.5Å; Y632-L636 VanDerWaalsContact O-CG 3.3Å; Y632-L636 WeakPolarHBondContact O-CG 3.28Å; Y632-L636 PolarHBondContact O-N 3.45Å; E633-L636 PolarHBondContact O-N 3.21Å; L636-L639 HydrophobicContact CD2-CD1 4.47Å; L636-L639 VanDerWaalsContact O-CB 3.31Å; L636-L639 WeakPolarHBondContact O-CB 3.31Å; L636-L639 PolarHBondContact O-N 2.81Å; L636-E640 WeakPolarHBondContact O-CG 3.44Å; L636-E640 PolarHBondContact O-N 2.94Å
637R73Confident68.9Low121 Ų12193.4 Ų93.446%0.45746%0.46SS..Hα-helixtrans-66.3-43.7175.7-145.7170-58.3175.55.1112.2E633 V634 Y635 L639 E640 E641E633-R637 WeakPolarHBondContact O-CB 3.49Å; E633-R637 PolarHBondContact O-N 3.14Å; E633-R637 IonicContact OE2-CZ 2.7Å; E633-R637 IonicContact OE2-NH2 3.36Å; E633-R637 PolarHBondContact OE2-NH2 2.87Å; V634-R637 PolarHBondContact O-N 2.59Å; Y635-R637 VanDerWaalsContact C-N 3.34Å; Y635-R637 PolarHBondContact O-N 3.35Å; R637-L639 VanDerWaalsContact C-N 3.27Å; R637-L639 PolarHBondContact O-N 2.82Å; R637-E640 PolarHBondContact O-N 3.39Å; R637-E641 WeakPolarHBondContact O-CB 3.45Å; R637-E641 WeakPolarHBondContact O-CG 3.47Å; R637-E641 PolarHBondContact O-N 3.29Å
638E69.1Low67.2Low101 Ų10190.9 Ų90.947%0.47245%0.454SS..Hα-helixtrans-63.7-28.7171.7-86.4-92165.300112.8V634 Y635 G642 R646V634-E638 WeakPolarHBondContact O-CB 3.42Å; V634-E638 PolarHBondContact O-N 3.44Å; Y635-E638 PolarHBondContact O-N 2.69Å; E638-G642 WeakPolarHBondContact O-CA 3.14Å; E638-G642 PolarHBondContact O-N 2.84Å; E638-R646 IonicContact OE2-CZ 2.95Å; E638-R646 IonicContact OE2-NH1 2.78Å; E638-R646 PolarHBondContact OE2-NH1 3.11Å; E638-R646 IonicContact OE2-NH2 3.69Å
639L68.3Low65.8Low61 Ų6192.8 Ų92.832%0.31946%0.463SS..Hα-helixtrans-69.9-40.3171.6-99.9168000112.4Y635 L636 R637Y635-L639 HydrophobicContact CD1-CD1 3.89Å; Y635-L639 HydrophobicContact CE1-CD1 3.37Å; Y635-L639 HydrophobicContact CE1-CG 4.21Å; Y635-L639 WeakPolarHBondContact O-CB 3.34Å; Y635-L639 PolarHBondContact O-N 2.71Å; L636-L639 HydrophobicContact CD2-CD1 4.47Å; L636-L639 VanDerWaalsContact O-CB 3.31Å; L636-L639 WeakPolarHBondContact O-CB 3.31Å; L636-L639 PolarHBondContact O-N 2.81Å; R637-L639 VanDerWaalsContact C-N 3.27Å; R637-L639 PolarHBondContact O-N 2.82Å
640E59Low64.3Low172 Ų17290 Ų9080%0.80445%0.451SS*.Hα-helixtrans-74.6-38.9178.6-69.6-172.315800112.8L636 R637L636-E640 WeakPolarHBondContact O-CG 3.44Å; L636-E640 PolarHBondContact O-N 2.94Å; R637-E640 PolarHBondContact O-N 3.39Å
641E55.7Low62.6Low140 Ų14089.2 Ų89.265%0.65445%0.45SS*.Hα-helixtrans-91.2-41.2-177.5-64.4-178.3172.200113.4R637 S643R637-E641 WeakPolarHBondContact O-CB 3.45Å; R637-E641 WeakPolarHBondContact O-CG 3.47Å; R637-E641 PolarHBondContact O-N 3.29Å; E641-S643 PolarHBondContact O-N 2.98Å
642G53.3Low61.2Low12 Ų1293.8 Ų93.812%0.12446%0.461CS..Hα-helixtrans-72.1-2.4-159.700000117E638E638-G642 WeakPolarHBondContact O-CA 3.14Å; E638-G642 PolarHBondContact O-N 2.84Å
643S53.9Low59.4Low91 Ų9196.8 Ų96.864%0.63648%0.481SS*.Hα-helixtrans-65.7-45176.4-179.40000112.5E641E641-S643 PolarHBondContact O-N 2.98Å
644L44.6Very low57.7Low127 Ų12793.1 Ų93.167%0.66547%0.469SS*.Hα-helixtrans-88.4-34.4-169.1-166.463.9000113.4T648L644-T648 PolarHBondContact O-N 2.8Å; L644-T648 VanDerWaalsContact O-N 3.12Å; L644-T648 PolarHBondContact O-OG1 3.15Å
645E51.3Low56.3Low137 Ų13792.2 Ų92.264%0.6447%0.467SS*.Hα-helixtrans-69.6-45178.2-69.6-127.6133.600111.9A647 T648 I649E645-A647 VanDerWaalsContact C-N 3.29Å; E645-A647 PolarHBondContact O-N 2.88Å; E645-T648 PolarHBondContact O-N 3.07Å; E645-T648 PolarHBondContact O-OG1 2.91Å; E645-T648 VanDerWaalsContact O-OG1 3.14Å; E645-I649 WeakPolarHBondContact O-CB 3.21Å; E645-I649 VanDerWaalsContact O-CG1 3.27Å; E645-I649 WeakPolarHBondContact O-CG1 3.4Å; E645-I649 PolarHBondContact O-N 2.81Å
646R51.4Low54.9Low140 Ų14099 Ų9953%0.52849%0.492SS..Hα-helixtrans-58.6-42.3175.9-77.6178.9166.687.8-3.3111.3E638 M650E638-R646 IonicContact OE2-CZ 2.95Å; E638-R646 IonicContact OE2-NH1 2.78Å; E638-R646 PolarHBondContact OE2-NH1 3.11Å; E638-R646 IonicContact OE2-NH2 3.69Å; R646-M650 VanDerWaalsContact O-CG 3.31Å; R646-M650 WeakPolarHBondContact O-CG 3.34Å; R646-M650 PolarHBondContact O-N 2.89Å
647A46.7Very low53.5Low46 Ų4698.3 Ų98.338%0.3850%0.498SS..Hα-helixtrans-61.4-45.7176.700000112.9E645 M650 D651E645-A647 VanDerWaalsContact C-N 3.29Å; E645-A647 PolarHBondContact O-N 2.88Å; A647-M650 PolarHBondContact O-N 3.36Å; A647-D651 PolarHBondContact O-N 3.5Å
648T49.9Very low52.2Low68 Ų6895 Ų9542%0.41749%0.49SS..Hα-helixtrans-75.8-28.8-178.851.50000113.7L644 E645 R652L644-T648 PolarHBondContact O-N 2.8Å; L644-T648 VanDerWaalsContact O-N 3.12Å; L644-T648 PolarHBondContact O-OG1 3.15Å; E645-T648 PolarHBondContact O-N 3.07Å; E645-T648 PolarHBondContact O-OG1 2.91Å; E645-T648 VanDerWaalsContact O-OG1 3.14Å; T648-R652 WeakPolarHBondContact O-CG 3.25Å; T648-R652 PolarHBondContact O-N 3.44Å; T648-R652 VanDerWaalsContact O-N 3.09Å
649I54.6Low51.1Low90 Ų9097.6 Ų97.646%0.46250%0.501SS..Hα-helixtrans-65.6-47.2169.7-69.2166000110.1E645 D651 R652 V653E645-I649 WeakPolarHBondContact O-CB 3.21Å; E645-I649 VanDerWaalsContact O-CG1 3.27Å; E645-I649 WeakPolarHBondContact O-CG1 3.4Å; E645-I649 PolarHBondContact O-N 2.81Å; I649-D651 VanDerWaalsContact C-N 3.32Å; I649-D651 PolarHBondContact O-N 3.37Å; I649-R652 PolarHBondContact O-N 2.88Å; I649-V653 WeakPolarHBondContact O-CG2 3.48Å; I649-V653 PolarHBondContact O-N 3.39Å; I649-V653 VanDerWaalsContact O-N 3.11Å
650M50.4Low50Low47 Ų47102 Ų10223%0.23253%0.525CS..Hα-helixtrans-62.3-38177.6-70.3-179.178.800112.5R592 A595 V596 L599 R646 A647 V653 A654R592-M650 HydrophobicContact CG-CE 3.95Å; A595-M650 HydrophobicContact CB-CE 4.16Å; V596-M650 HydrophobicContact CG2-CE 3.74Å; V596-M650 HydrophobicContact CG2-SD 4.04Å; L599-M650 HydrophobicContact CD1-SD 4.27Å; R646-M650 VanDerWaalsContact O-CG 3.31Å; R646-M650 WeakPolarHBondContact O-CG 3.34Å; R646-M650 PolarHBondContact O-N 2.89Å; A647-M650 PolarHBondContact O-N 3.36Å; M650-V653 PolarHBondContact O-N 2.89Å; M650-A654 WeakPolarHBondContact O-CB 3.46Å; M650-A654 PolarHBondContact O-N 3.07Å
651D49.8Very low49Very low90 Ų9096.4 Ų96.448%0.48151%0.505SS..Hα-helixtrans-65.2-41.8176.1-171.269.7000112.7A647 I649 V653 A654 S655A647-D651 PolarHBondContact O-N 3.5Å; I649-D651 VanDerWaalsContact C-N 3.32Å; I649-D651 PolarHBondContact O-N 3.37Å; D651-V653 VanDerWaalsContact C-N 3.34Å; D651-V653 PolarHBondContact O-N 3.18Å; D651-A654 PolarHBondContact O-N 2.95Å; D651-S655 WeakPolarHBondContact O-CB 3.39Å; D651-S655 PolarHBondContact O-N 3.03Å; D651-S655 PolarHBondContact O-OG 3.14Å
652R53.5Low48.3Very low186 Ų18693.6 Ų93.670%0.70250%0.501SS*.Hα-helixtrans-63.4-34.9174.4-78.6177.8174.3170.61.7113.4T648 I649T648-R652 WeakPolarHBondContact O-CG 3.25Å; T648-R652 PolarHBondContact O-N 3.44Å; T648-R652 VanDerWaalsContact O-N 3.09Å; I649-R652 PolarHBondContact O-N 2.88Å
653V46.7Very low47.9Very low78 Ų7896 Ų9647%0.47351%0.511SS..Hα-helixtrans-73.7-46.5175.6177.90000110.8I649 M650 D651 S655 R656 A657I649-V653 WeakPolarHBondContact O-CG2 3.48Å; I649-V653 PolarHBondContact O-N 3.39Å; I649-V653 VanDerWaalsContact O-N 3.11Å; M650-V653 PolarHBondContact O-N 2.89Å; D651-V653 VanDerWaalsContact C-N 3.34Å; D651-V653 PolarHBondContact O-N 3.18Å; V653-S655 VanDerWaalsContact C-N 3.3Å; V653-S655 PolarHBondContact O-N 3.27Å; V653-R656 PolarHBondContact O-N 3.14Å; V653-R656 VanDerWaalsContact O-N 3.13Å; V653-A657 PolarHBondContact O-N 3.25Å
654A47.2Very low47.3Very low34 Ų3496.2 Ų96.228%0.28151%0.51SS..Hα-helixtrans-59.4-39.7177.600000112.5M650 D651 R656 A657 L658M650-A654 WeakPolarHBondContact O-CB 3.46Å; M650-A654 PolarHBondContact O-N 3.07Å; D651-A654 PolarHBondContact O-N 2.95Å; A654-R656 PolarHBondContact O-N 3.32Å; A654-A657 PolarHBondContact O-N 3.34Å; A654-L658 PolarHBondContact O-N 3.06Å
655S50.8Low47Very low62 Ų6297.9 Ų97.943%0.43451%0.512SS..Hα-helixtrans-62.2-23.1177.7-64.40000114.3D651 V653D651-S655 WeakPolarHBondContact O-CB 3.39Å; D651-S655 PolarHBondContact O-N 3.03Å; D651-S655 PolarHBondContact O-OG 3.14Å; V653-S655 VanDerWaalsContact C-N 3.3Å; V653-S655 PolarHBondContact O-N 3.27Å
656R48.8Very low46.2Very low191 Ų19195.9 Ų95.972%0.72151%0.505SS*.Hα-helixtrans-83.9-45.4175.9-69.3179.5178.7-167.8-1.6111.9V653 A654 L658 Q659V653-R656 PolarHBondContact O-N 3.14Å; V653-R656 VanDerWaalsContact O-N 3.13Å; A654-R656 PolarHBondContact O-N 3.32Å; R656-L658 PolarHBondContact O-N 2.98Å; R656-L658 VanDerWaalsContact O-N 3.14Å; R656-Q659 PolarHBondContact O-N 2.97Å; R656-Q659 VanDerWaalsContact O-N 3.07Å
657A45.9Very low45.1Very low70 Ų7095.1 Ų95.158%0.57952%0.516SS*.Hα-helixtrans-60.1-26.3-178.400000113.6V653 A654 Q659V653-A657 PolarHBondContact O-N 3.25Å; A654-A657 PolarHBondContact O-N 3.34Å; A657-Q659 VanDerWaalsContact C-N 3.27Å; A657-Q659 PolarHBondContact O-N 3.05Å
658L46Very low44.4Very low53 Ų5398.4 Ų98.428%0.27753%0.533SS..THydrogen-bonded Turntrans-74-7.8177.6-70.7169.3000114.7A588 A654 R656A588-L658 HydrophobicContact CB-CD2 4.16Å; A654-L658 PolarHBondContact O-N 3.06Å; R656-L658 PolarHBondContact O-N 2.98Å; R656-L658 VanDerWaalsContact O-N 3.14Å
659Q44.7Very low43.4Very low154 Ų154100.8 Ų100.872%0.7256%0.56SS**THydrogen-bonded Turntrans-84.9-27-178.2-64.1-166.4-42.700113.7R656 A657R656-Q659 PolarHBondContact O-N 2.97Å; R656-Q659 VanDerWaalsContact O-N 3.07Å; A657-Q659 VanDerWaalsContact C-N 3.27Å; A657-Q659 PolarHBondContact O-N 3.05Å
660D45Very low42.1Very low153 Ų153100.2 Ų100.282%0.81858%0.576SS**SBendtrans-92.3-4.1-170.1-59.7-34.8000113.9
661S38.6Very low41.2Very low56 Ų56102.5 Ų102.539%0.39260%0.602SS.*  trans-121.781.7-177.466.20000112.3L584L584-S661 WeakPolarHBondContact CD1-O 3.41Å
662S42.3Very low40.2Very low80 Ų80105 Ų10556%0.55962%0.621SS**  trans-128.7139.5168.468.10000111.3
663L43.1Very low39.1Very low62 Ų62104 Ų10433%0.32563%0.629SS.*  trans-55.3152.9167.5-73.2169.1000110.9K665L663-K665 PolarHBondContact O-N 2.98Å
664P42.1Very low38.2Very low97 Ų97106.6 Ų106.663%0.6365%0.645SS**  trans-61.5106-176.3-23.834.4000112.2
665K38.8Very low37.5Very low162 Ų162109.8 Ų109.870%0.70466%0.663SS**  trans-54.9139.6179.3-68.9174.9179.6169.40111.2L663 T667L663-K665 PolarHBondContact O-N 2.98Å; K665-T667 PolarHBondContact O-N 3.47Å
666I33.7Very low36.5Very low95 Ų95113.8 Ų113.849%0.48768%0.679SS.*  trans-76.3111.7165-58.2-173.9000108.4V573V573-I666 HydrophobicContact CG1-CD1 3.99Å
667T27.6Very low35.8Very low123 Ų123109 Ų10976%0.75568%0.676SS**  trans-73.3126.3160.143.50000108.9K665K665-T667 PolarHBondContact O-N 3.47Å
668P32.1Very low35.1Very low116 Ų116112.9 Ų112.975%0.75369%0.686SS**  trans-65.4139.7177.427.3-34.1000110.6G670P668-G670 PolarHBondContact O-N 3.35Å
669A29.4Very low34.5Very low118 Ų118118.3 Ų118.398%0.97572%0.715SS**SBendtrans-73.691.5179.600000110.5
670G28.6Very low33.8Very low77 Ų77119.8 Ų119.879%0.79472%0.722SS**  trans-158.224-172.800000115.2P668P668-G670 PolarHBondContact O-N 3.35Å
671A30.6Very low33.3Very low96 Ų96117.4 Ų117.479%0.79372%0.717SS**SBendtrans-135.7118.4172.700000109.1
672T29.2Very low32.9Very low143 Ų143120.2 Ų120.288%0.87773%0.732SS**  trans-69140.5-173.4-47.90000111.8
673L29.2Very low32.4Very low165 Ų165124.9 Ų124.986%0.86474%0.742SS**  trans-66.7133.7171.9-68.9163.2000111.5
674T29.1Very low31.7Very low131 Ų131127.5 Ų127.580%0.80476%0.761SS**  trans-127.6122.1148.950.90000106.9
675P31.5Very low31.1Very low101 Ų101130.2 Ų130.266%0.65677%0.769SS**  trans-83.1-174.7-175.337.5-38.1000112.1
676D30.7Very low30.7Very low146 Ų146128 Ų12878%0.78177%0.774SS**  trans70.2150.4161.5-55.2-27.6000118.3
677S33.6Very low30.4Very low92 Ų92128.3 Ų128.364%0.64379%0.785SS**  cis-164.3144-41.943.50000109.4
678D30.8Very low30.5Very low150 Ų150131.1 Ų131.180%0.80279%0.789SS**  trans53.3173.5156.9-60.3-22.7000121.8
679L34.4Very low30.4Very low168 Ų168129.6 Ų129.688%0.8879%0.787SS**  trans69.6107.4165.6-71.5160.1000119.2
680E29.4Very low30.5Very low184 Ų184133.4 Ų133.486%0.8678%0.784SS**  trans-53.4133154.6-47.4169.2110.300111.1
681S34.4Very low30.3Very low104 Ų104140.9 Ų140.973%0.72779%0.788SS**  165.3124122.9-81.80000115.8
682V30.6Very low30.5Very low115 Ų115141.3 Ų141.370%0.69778%0.783SS**  66.9127.6126.3-178.60000120.5
683K31.9Very low30.7Very low178 Ų178142.5 Ų142.577%0.77478%0.779SS**  trans81.190.6155.2-77.5164.6-162.3167.70121.6
684T28.5Very low30.7Very low117 Ų117140.3 Ų140.372%0.71877%0.768SS**  57.7128.4111.755.90000123.3
685L30Very low30.7Very low154 Ų154140.8 Ų140.881%0.80677%0.766SS**  trans92.1126.4137.1-74.2162.9000121.1
686S29Very low30.8Very low116 Ų116142.8 Ų142.881%0.81178%0.776SS**  trans66.1157.4153.2-56.90000119.7
687S27.9Very low30.6Very low101 Ų101143.7 Ų143.771%0.70678%0.78SS**  cis176.4165-34.3-1720000106.9
688E30.6Very low30.7Very low181 Ų181144.5 Ų144.585%0.84678%0.783SS**  trans72.7122.5172.4-47-158122.400114.4
689A28.9Very low30.9Very low85 Ų85142.7 Ų142.770%0.70278%0.779SS**  10214576.200000110.8
690Q31.1Very low30.7Very low197 Ų197143.1 Ų143.192%0.92178%0.782SS**  cis-152.3-164.63.6-125.1166.632.700112
691R25.1Very low30.6Very low234 Ų234137.5 Ų137.588%0.88377%0.773SS**  trans-112.5-168.9-169.4-104.5-177.6176-179.9-1.8111.4
692P35.8Very low30.5Very low106 Ų106139.2 Ų139.269%0.68878%0.779SS**  cis-137.9-172.2-42.840.2-23.2000113.4
693Q31.7Very low30.3Very low168 Ų168140.9 Ų140.979%0.78578%0.784SS**  trans160.6171146.5-94-159.996.600111.7
694N30.4Very low30.3Very low118 Ų118138.2 Ų138.263%0.63179%0.788SS**  cis-163.1162.7-41.3-112-4.8000111.4
695N28.7Very low30.4Very low142 Ų142142 Ų14276%0.75980%0.798SS**  trans55.7129.1160.2-55.1-10.8000120.1
696T33.2Very low30.5Very low142 Ų142139.3 Ų139.387%0.87179%0.792SS**  -171.8178.275.3-59.70000111.1
697L27.2Very low30.4Very low165 Ų165144.9 Ų144.986%0.86480%0.797SS**  trans-110164.6-158.6-73.9165.1000118.2
698P36Very low30.6Very low110 Ų110148.6 Ų148.671%0.71480%0.803SS**  trans-108.8-179.3-177.643.1-36.6000115.3
699P34.6Very low30.5Very low111 Ų111146.1 Ų146.172%0.72180%0.799SS**  -153.9159.7127.839.3-22.4000118.5
700L30.8Very low30.5Very low178 Ų178151.9 Ų151.993%0.93281%0.809SS**  trans56.8141.7152.1-62.3157.5000120.9
701G26.6Very low30.4Very low66 Ų66151.9 Ų151.968%0.6881%0.806SS**  cis146.3108.7-19.400000116.6
702T32.4Very low30.7Very low140 Ų140145.5 Ų145.586%0.85980%0.803SS**  trans-161.6132.6159.515.50000114.6
703D26.5Very low30.3Very low149 Ų149145.2 Ų145.280%0.79780%0.803SS**  trans11.1106.4155.7-52.8-23.9000122.5
704S31.7Very low30.2Very low123 Ų123143.2 Ų143.286%0.8681%0.805SS**  173.593.1124.5-79.50000112.5
705E29.4Very low30.3Very low197 Ų197148.4 Ų148.492%0.92182%0.816SS**  trans-93.8122.3170-75.8-158151.100112.2
706S33.1Very low30.3Very low97 Ų97146 Ų14668%0.67882%0.816SS**  trans-137.3132.7168.662.50000111.1
707Y27.8Very low30.2Very low232 Ų232151 Ų15191%0.9182%0.819SS**  trans42.679.6168.6-62.1-77.7000118.8
708H32Very low30.2Very low180 Ų180152.3 Ų152.383%0.83382%0.821SS**PPolyproline II helixtrans-97.9131158.8-88.9-43000114.2
709V28.5Very low30Very low128 Ų128153.4 Ų153.478%0.77683%0.825SS**PPolyproline II helixtrans-63.4133.3179173.30000111.8
710F27.5Very low29.8Very low206 Ų206157.7 Ų157.790%0.90483%0.832SS**PPolyproline II helixtrans-89.7127.4162.8-100-85.7000111.9
711K28.8Very low29.7Very low198 Ų198154.9 Ų154.986%0.86183%0.828SS**PPolyproline II helixtrans-75.6134-174.6-61.4167.6-179.4173.20111.3
712A31.4Very low29.7Very low99 Ų99157.5 Ų157.582%0.81884%0.836SS**PPolyproline II helixtrans-98126160.100000109.3
713S27.8Very low29.7Very low100 Ų100156 Ų15670%0.69983%0.831SS**PPolyproline II helixtrans-89.3132-176.1-178.40000111.8R715S713-R715 PolarHBondContact O-N 3.03Å
714P30.5Very low30Very low126 Ų126153.9 Ų153.982%0.81882%0.823SS**  trans-80.794.916932.2-31.7000110.1
715R31Very low30Very low227 Ų227153 Ų15386%0.85782%0.815SS**  trans-124.4127.3162.1-83.8-165.3168.7-157.6-3111S713S713-R715 PolarHBondContact O-N 3.03Å
716A30.3Very low30Very low93 Ų93148.6 Ų148.677%0.76980%0.801SS**  trans-66145.4-170.700000113.2
717W29.3Very low30Very low245 Ų245149.2 Ų149.293%0.92880%0.803SS**  trans-115.5112.5152.2-86.569.4000108V719W717-V719 PolarHBondContact O-N 2.97Å
718Q27.7Very low30.1Very low193 Ų193143.6 Ų143.690%0.90280%0.795SS**  trans-82.6110.5174.4-70.4-180-15.300109.6
719V32.8Very low30.2Very low133 Ų133140 Ų14081%0.80679%0.787SS**  trans-126.9140.3161.6-1770000108.5W717W717-V719 PolarHBondContact O-N 2.97Å
720K30Very low30.2Very low201 Ų201141.4 Ų141.487%0.87479%0.789SS**  trans-79.1144.4-159.4-73.8169178.1168.80113.7
721S28.1Very low30.2Very low120 Ų120140 Ų14084%0.83979%0.785SS**  trans-39.8135.617035.10000115.9
722S28Very low30.2Very low121 Ų121136.5 Ų136.585%0.84678%0.78SS**  trans-133127.4148.7-173.30000107.9
723S32.3Very low30Very low108 Ų108135 Ų13576%0.75577%0.774SS**  trans-112.9133.7-172.950.80000111.7
724V31Very low29.9Very low104 Ų104135.7 Ų135.763%0.6378%0.779SS**  trans-120.2134.4169.1-177.40000107.7
725P32.4Very low29.7Very low106 Ų106137.4 Ų137.469%0.68878%0.78SS**PPolyproline II helixtrans-80.4140.8-168.7-11.429000113
726T30.1Very low29.5Very low103 Ų103133.3 Ų133.363%0.63278%0.78SS**PPolyproline II helixtrans-67.6155.715817.10000111
727P32.7Very low29.5Very low110 Ų110135.8 Ų135.871%0.71479%0.786SS**PPolyproline II helixtrans-57.1146.7159.4-18.331.8000110.2
728P29.9Very low29.3Very low115 Ų115133.5 Ų133.575%0.74779%0.786SS**PPolyproline II helixtrans-67143.618028.7-34.7000111
729P34.4Very low29.3Very low103 Ų103133.6 Ų133.667%0.66979%0.786SS**PPolyproline II helixtrans-64.3142.7164.529.7-33.7000109.4Q731P729-Q731 PolarHBondContact O-N 3.25Å
730I27.6Very low29.2Very low158 Ų158131.6 Ų131.681%0.8178%0.784SS**  trans-70.992.6176.1-62.6175.9000108.6V732I730-V732 HydrophobicContact CG2-CG2 3.86Å; I730-V732 PolarHBondContact O-N 3.01Å; I730-V732 VanDerWaalsContact O-N 3.16Å
731Q27.2Very low29.3Very low177 Ų177127.8 Ų127.883%0.82778%0.779SS**  trans-81.679.9171.9-71.9-171.2-17.600110.4P729 G733P729-Q731 PolarHBondContact O-N 3.25Å; Q731-G733 PolarHBondContact O-N 2.8Å
732V29.8Very low29.3Very low125 Ų125128 Ų12876%0.75878%0.778SS**  trans-92.384.5160.4179.90000108I730I730-V732 HydrophobicContact CG2-CG2 3.86Å; I730-V732 PolarHBondContact O-N 3.01Å; I730-V732 VanDerWaalsContact O-N 3.16Å
733G27.1Very low29.6Very low66 Ų66131.5 Ų131.568%0.6878%0.781SS**  trans-88.4132.1163.600000109.8Q731Q731-G733 PolarHBondContact O-N 2.8Å
734S25.7Very low29.4Very low116 Ų116133.7 Ų133.781%0.81178%0.784SS**  trans62.889.1167.8-163.80000117.6
735L27.2Very low29.3Very low161 Ų161133.6 Ų133.684%0.84379%0.788SS**  trans-159.954.3142.9-143.879.1000115.3
736V26.9Very low29.2Very low142 Ų142137 Ų13786%0.86180%0.8SS**SBendtrans-141.663.3166.9-164.20000112.2
737T28.3Very low29Very low144 Ų144135 Ų13588%0.88380%0.799SS**  trans-176.7106.9142.232.60000109.1
738Q26.9Very low28.9Very low197 Ų197135.6 Ų135.692%0.92181%0.806SS**  trans-155.9104.5142.7-143.7172.48.300108.8
739E26.8Very low28.8Very low195 Ų195138.3 Ų138.391%0.91181%0.809SS**  trans-85.2138.9164.1-61.9175.711900108.5
740A30.2Very low28.7Very low92 Ų92139.5 Ų139.576%0.7681%0.808SS**  trans175.3140.3139.600000110.5
741P32Very low28.6Very low120 Ų120138.8 Ų138.878%0.77981%0.806SS**  trans-77.1162.7165.334.4-34.8000111.5
742P29.9Very low28.9Very low126 Ų126136.5 Ų136.582%0.81881%0.81SS**  trans-79.5137.7-177.331.6-34.8000113.2
743Q33.4Very low28.8Very low194 Ų194136.1 Ų136.191%0.90781%0.812SS**  trans-142154.8153.8-75-158.2-50.400109.9
744D28.2Very low29.3Very low154 Ų154138.5 Ų138.582%0.82482%0.816SS**  trans-85.5170.4-166.1-63.9-78.4000115.9
745S28.6Very low29.5Very low101 Ų101141.9 Ų141.971%0.70682%0.819SS**  trans84.9128.1151.3-58.50000120.2
746L30.5Very low29.5Very low178 Ų178139.4 Ų139.493%0.93282%0.815SS**  trans45125.6135.1-57.7163000118.6
747G26.1Very low29.7Very low60 Ų60138.3 Ų138.362%0.61981%0.814SS**  cis134.7144.6700000111.1
748S31.3Very low29.8Very low124 Ų124140.9 Ų140.987%0.86782%0.816SS**  trans68.7158.4-179.685.10000115.7
749Q27.1Very low29.8Very low171 Ų171138.7 Ų138.780%0.79981%0.81SS**  cis-164.8169-43.2-14018011.200110
750I32Very low30Very low128 Ų128138 Ų13866%0.65681%0.812SS**  trans77.4102.5155.2-61.9158.1000119.7
751N26.2Very low29.8Very low144 Ų144138.3 Ų138.377%0.7781%0.809SS**  trans46.3123.4130.4-49.1-9000123.5
752S32.4Very low29.9Very low128 Ų128141 Ų14190%0.89581%0.811SS**  -162.2153127-80.90000110.7
753S27.7Very low30.1Very low117 Ų117141.4 Ų141.482%0.81881%0.805SS**  trans-126.8-171.4-173.2-32.50000110.3
754P38.1Very low30Very low116 Ų116139.7 Ų139.775%0.75380%0.801SS**  cis-128.9165.1-39.235.9-22000112.8
755E29.3Very low30.8Very low188 Ų188135.8 Ų135.888%0.87978%0.78SS**  trans-171.2144.2144.5-115.7170.1-161.300115.4
756S27.8Very low32.4Very low108 Ų108133.5 Ų133.576%0.75576%0.763SS**  trans46.6119.3161.367.30000122.1
757S30.2Very low33.6Very low120 Ų120132.1 Ų132.184%0.83975%0.752SS**  177.6154.2125.737.30000114.1
758E31.6Very low35.8Very low197 Ų197137.8 Ų137.892%0.92176%0.76SS**  trans12.7132.4162.8-57.4-173162.900121.6
759N26.4Very low37.7Very low151 Ų151136.1 Ų136.181%0.80774%0.738SS**  trans-144.9112.7176.2-148.6-1.1000111.4
760L30.3Very low39.4Very low182 Ų182134.5 Ų134.595%0.95373%0.725SS**  trans-164.2117.9152.4-106.6177.7000107.5
761S27.7Very low41.2Very low98 Ų98135.1 Ų135.169%0.68572%0.723SS**  trans-115.8155.6-165.153.10000112.4
762E32.5Very low43.5Very low176 Ų176132.9 Ų132.982%0.82271%0.707SS**  trans-164125135.7-110.4-177.9-177.200113.7
763I34.1Very low45.2Very low134 Ų134130.8 Ų130.869%0.68769%0.685SS**  trans54.394.2151-52.5160.6000118.4L765I763-L765 HydrophobicContact CG2-CD2 4.34Å; I763-L765 HydrophobicContact CG2-CG 4.29Å
764L32.3Very low47Very low159 Ų159131 Ų13183%0.83268%0.677SS**  trans-90.7100.2160.3-113167.8000110.6S766L764-S766 PolarHBondContact O-N 3.05Å
765L44.1Very low48.6Very low72 Ų72130 Ų13038%0.37767%0.669SS.*  trans-61130.9178.6-75.5169.3000112.8I763 E769 R770 I773I763-L765 HydrophobicContact CG2-CD2 4.34Å; I763-L765 HydrophobicContact CG2-CG 4.29Å; L765-E769 HydrophobicContact CD2-CB 4.25Å; L765-R770 HydrophobicContact CB-CG 4.41Å; L765-R770 PolarHBondContact O-NE 3.48Å; L765-R770 PolarHBondContact O-NH2 3.3Å; L765-I773 HydrophobicContact CD1-CD1 3.93Å
766S62Low50.2Low52 Ų52128.5 Ų128.536%0.36466%0.655SS.*  trans-67.4158.4-17975.70000112.6L764 K768 E769 R770L764-S766 PolarHBondContact O-N 3.05Å; S766-K768 PolarHBondContact O-N 3.33Å; S766-E769 WeakPolarHBondContact CA-OE2 3.49Å; S766-E769 WeakPolarHBondContact CB-OE2 3.41Å; S766-E769 PolarHBondContact N-OE2 3.13Å; S766-E769 PolarHBondContact O-N 3.16Å; S766-E769 WeakPolarHBondContact OG-CG 3.16Å; S766-E769 PolarHBondContact OG-N 3.16Å; S766-E769 PolarHBondContact OG-OE2 3.25Å; S766-R770 WeakPolarHBondContact O-CG 3.43Å; S766-R770 PolarHBondContact O-N 3.42Å
767H55.7Low52Low150 Ų150127.1 Ų127.169%0.69464%0.642SS**Hα-helixtrans-59.7-29.3177.7-174-109.1000113K771H767-K771 PolarHBondContact O-N 3.5Å; H767-K771 VanDerWaalsContact O-N 3.16Å
768K74Confident53.6Low179 Ų179128.6 Ų128.678%0.77863%0.633SS**Hα-helixtrans-69.4-45.9177.8-159.7176.5-175.6-1780111S766 K771 E772S766-K768 PolarHBondContact O-N 3.33Å; K768-K771 PolarHBondContact O-N 2.87Å; K768-E772 PolarHBondContact O-N 3.3Å
769E69.3Low55.4Low89 Ų89122.1 Ų122.142%0.41661%0.609SS.*Hα-helixtrans-65.9-41.7176.5-66.7159.5114.500111.8L765 S766 K771 E772 I773L765-E769 HydrophobicContact CD2-CB 4.25Å; S766-E769 WeakPolarHBondContact CA-OE2 3.49Å; S766-E769 WeakPolarHBondContact CB-OE2 3.41Å; S766-E769 PolarHBondContact N-OE2 3.13Å; S766-E769 PolarHBondContact O-N 3.16Å; S766-E769 WeakPolarHBondContact OG-CG 3.16Å; S766-E769 PolarHBondContact OG-N 3.16Å; S766-E769 PolarHBondContact OG-OE2 3.25Å; E769-K771 VanDerWaalsContact C-N 3.28Å; E769-K771 PolarHBondContact O-N 2.86Å; E769-E772 PolarHBondContact O-N 2.98Å; E769-I773 WeakPolarHBondContact O-CB 3.22Å; E769-I773 VanDerWaalsContact O-CG1 3.26Å; E769-I773 WeakPolarHBondContact O-CG1 3.38Å; E769-I773 PolarHBondContact O-N 2.57Å
770R63.2Low57.4Low136 Ų136120.5 Ų120.551%0.51360%0.599SS.*Hα-helixtrans-57.7-41.6174.3-67.7-176.3-160.5-150.65111.9L765 S766 L774L765-R770 HydrophobicContact CB-CG 4.41Å; L765-R770 PolarHBondContact O-NE 3.48Å; L765-R770 PolarHBondContact O-NH2 3.3Å; S766-R770 WeakPolarHBondContact O-CG 3.43Å; S766-R770 PolarHBondContact O-N 3.42Å; R770-L774 WeakPolarHBondContact O-CB 3.5Å; R770-L774 PolarHBondContact O-N 2.84Å
771K71.4Confident59Low141 Ų141114.7 Ų114.761%0.61357%0.574SS**Hα-helixtrans-66.6-40.5177.8-153.3173.4-170.8178.70111.5H767 K768 E769 L774 T775H767-K771 PolarHBondContact O-N 3.5Å; H767-K771 VanDerWaalsContact O-N 3.16Å; K768-K771 PolarHBondContact O-N 2.87Å; E769-K771 VanDerWaalsContact C-N 3.28Å; E769-K771 PolarHBondContact O-N 2.86Å; K771-L774 PolarHBondContact O-N 2.72Å; K771-T775 PolarHBondContact O-N 2.87Å; K771-T775 PolarHBondContact O-OG1 3.46Å; K771-T775 VanDerWaalsContact O-OG1 3.07Å
772E73.7Confident61.1Low97 Ų97114 Ų11445%0.45357%0.565SS.*Hα-helixtrans-67.7-42.7175.5-176.1166.4-165.500112.9K768 E769 L774 T775 R776K768-E772 PolarHBondContact O-N 3.3Å; E769-E772 PolarHBondContact O-N 2.98Å; E772-L774 VanDerWaalsContact C-N 3.32Å; E772-L774 PolarHBondContact O-N 2.93Å; E772-T775 PolarHBondContact O-N 2.66Å; E772-R776 HydrophobicContact CG-CG 4.31Å; E772-R776 WeakPolarHBondContact O-CB 3.37Å; E772-R776 WeakPolarHBondContact O-CG 3.43Å; E772-R776 PolarHBondContact O-N 2.9Å; E772-R776 IonicContact OE1-CZ 3.64Å; E772-R776 IonicContact OE1-NE 3.09Å; E772-R776 PolarHBondContact OE1-NE 3.03Å; E772-R776 VanDerWaalsContact OE1-NE 3.09Å; E772-R776 IonicContact OE1-NH2 2.63Å; E772-R776 PolarHBondContact OE1-NH2 3.31Å
773I67Low63Low84 Ų84111.6 Ų111.643%0.43155%0.552SS.*Hα-helixtrans-58.4-45173.4-70.5164.1000110.2L765 E769 T775 R776 T777L765-I773 HydrophobicContact CD1-CD1 3.93Å; E769-I773 WeakPolarHBondContact O-CB 3.22Å; E769-I773 VanDerWaalsContact O-CG1 3.26Å; E769-I773 WeakPolarHBondContact O-CG1 3.38Å; E769-I773 PolarHBondContact O-N 2.57Å; I773-T775 PolarHBondContact O-N 2.67Å; I773-R776 PolarHBondContact O-N 2.84Å; I773-T777 VanDerWaalsContact O-CB 3.26Å; I773-T777 WeakPolarHBondContact O-CB 3.37Å; I773-T777 PolarHBondContact O-N 3.23Å; I773-T777 PolarHBondContact O-OG1 2.83Å
774L66.3Low64.4Low122 Ų122107 Ų10764%0.63953%0.534SS*.Hα-helixtrans-60.9-45.3176.3-169.372000111.7R770 K771 E772 T777 K778R770-L774 WeakPolarHBondContact O-CB 3.5Å; R770-L774 PolarHBondContact O-N 2.84Å; K771-L774 PolarHBondContact O-N 2.72Å; E772-L774 VanDerWaalsContact C-N 3.32Å; E772-L774 PolarHBondContact O-N 2.93Å; L774-T777 PolarHBondContact O-N 2.79Å; L774-K778 WeakPolarHBondContact O-CB 3.49Å; L774-K778 PolarHBondContact O-N 3.12Å
775T71.5Confident65.9Low95 Ų95102 Ų10258%0.58352%0.516SS*.Hα-helixtrans-67.1-42.7179-58.80000112.4K771 E772 I773 T777 K778 C779K771-T775 PolarHBondContact O-N 2.87Å; K771-T775 PolarHBondContact O-OG1 3.46Å; K771-T775 VanDerWaalsContact O-OG1 3.07Å; E772-T775 PolarHBondContact O-N 2.66Å; I773-T775 PolarHBondContact O-N 2.67Å; T775-T777 VanDerWaalsContact C-N 3.34Å; T775-T777 PolarHBondContact O-N 3.25Å; T775-K778 PolarHBondContact O-N 2.64Å; T775-C779 PolarHBondContact O-N 2.76Å
776R63.3Low67.1Low157 Ų157104 Ų10459%0.59252%0.523SS*.Hα-helixtrans-60.9-43.2173.2-72.3176.7-179.4-168.5-0.7111E772 I773 K778 C779 I780E772-R776 HydrophobicContact CG-CG 4.31Å; E772-R776 WeakPolarHBondContact O-CB 3.37Å; E772-R776 WeakPolarHBondContact O-CG 3.43Å; E772-R776 PolarHBondContact O-N 2.9Å; E772-R776 IonicContact OE1-CZ 3.64Å; E772-R776 IonicContact OE1-NE 3.09Å; E772-R776 PolarHBondContact OE1-NE 3.03Å; E772-R776 VanDerWaalsContact OE1-NE 3.09Å; E772-R776 IonicContact OE1-NH2 2.63Å; E772-R776 PolarHBondContact OE1-NH2 3.31Å; I773-R776 PolarHBondContact O-N 2.84Å; R776-K778 PolarHBondContact O-N 2.89Å; R776-C779 WeakPolarHBondContact O-CB 3.09Å; R776-C779 PolarHBondContact O-N 3.48Å; R776-I780 WeakPolarHBondContact O-CG1 3.38Å; R776-I780 PolarHBondContact O-N 2.89Å
777T65Low67.4Low79 Ų79111 Ų11149%0.48554%0.542SS..Hα-helixtrans-63.2-42.4177.6-57.10000111.9I773 L774 T775 C779 I780 S781I773-T777 VanDerWaalsContact O-CB 3.26Å; I773-T777 WeakPolarHBondContact O-CB 3.37Å; I773-T777 PolarHBondContact O-N 3.23Å; I773-T777 PolarHBondContact O-OG1 2.83Å; L774-T777 PolarHBondContact O-N 2.79Å; T775-T777 VanDerWaalsContact C-N 3.34Å; T775-T777 PolarHBondContact O-N 3.25Å; T777-C779 VanDerWaalsContact C-N 3.3Å; T777-C779 PolarHBondContact O-N 2.93Å; T777-I780 PolarHBondContact O-N 2.99Å; T777-I780 VanDerWaalsContact O-N 3.16Å; T777-S781 PolarHBondContact O-N 3.01Å; T777-S781 PolarHBondContact O-OG 3.35Å
778K63.7Low67.6Low151 Ų151110.2 Ų110.266%0.65753%0.532SS*.Hα-helixtrans-64.7-32.4176.1-154.7172.9-171.4-179.70112.4L774 T775 R776 S781 V782L774-K778 WeakPolarHBondContact O-CB 3.49Å; L774-K778 PolarHBondContact O-N 3.12Å; T775-K778 PolarHBondContact O-N 2.64Å; R776-K778 PolarHBondContact O-N 2.89Å; K778-S781 PolarHBondContact O-OG 3.39Å; K778-V782 WeakPolarHBondContact O-CG2 3.48Å; K778-V782 PolarHBondContact O-N 3.46Å
779C70.8Confident67.3Low61 Ų61105.9 Ų105.941%0.41253%0.525SS..Hα-helixtrans-70.8-38.4171.8-1680000112.4T775 R776 T777 K783T775-C779 PolarHBondContact O-N 2.76Å; R776-C779 WeakPolarHBondContact O-CB 3.09Å; R776-C779 PolarHBondContact O-N 3.48Å; T777-C779 VanDerWaalsContact C-N 3.3Å; T777-C779 PolarHBondContact O-N 2.93Å; C779-K783 WeakPolarHBondContact O-CB 3.33Å; C779-K783 WeakPolarHBondContact O-CG 3.23Å; C779-K783 PolarHBondContact O-N 2.81Å; C779-K783 VanDerWaalsContact O-N 3.1Å
780I67.7Low67.2Low116 Ų116110.5 Ų110.560%0.59554%0.538SS*.Hα-helixtrans-66.7-44.3177.4-68.4164.1000111.1R776 T777 K783 A784R776-I780 WeakPolarHBondContact O-CG1 3.38Å; R776-I780 PolarHBondContact O-N 2.89Å; T777-I780 PolarHBondContact O-N 2.99Å; T777-I780 VanDerWaalsContact O-N 3.16Å; I780-K783 PolarHBondContact O-N 2.9Å; I780-A784 WeakPolarHBondContact O-CB 3.33Å; I780-A784 PolarHBondContact O-N 3.41Å
781S64.4Low66.8Low60 Ų60106.9 Ų106.942%0.4254%0.538SS..Hα-helixtrans-64.6-41.1179.860.80000112.6T777 K778 A784 A785T777-S781 PolarHBondContact O-N 3.01Å; T777-S781 PolarHBondContact O-OG 3.35Å; K778-S781 PolarHBondContact O-OG 3.39Å; S781-A784 PolarHBondContact O-N 3.31Å; S781-A785 PolarHBondContact O-N 2.87Å
782V72.1Confident65.9Low83 Ų83107.9 Ų107.950%0.50355%0.549SS..Hα-helixtrans-61.8-44.8173.2171.80000111.5K778 A784 A785 Q786K778-V782 WeakPolarHBondContact O-CG2 3.48Å; K778-V782 PolarHBondContact O-N 3.46Å; V782-A784 VanDerWaalsContact C-N 3.31Å; V782-A784 PolarHBondContact O-N 2.83Å; V782-A785 PolarHBondContact O-N 2.93Å; V782-Q786 PolarHBondContact O-N 2.72Å
783K72.2Confident64.7Low127 Ų127106.1 Ų106.155%0.55256%0.556SS**Hα-helixtrans-64.7-33.7176-74175.9179.6175.90112.5C779 I780 R787C779-K783 WeakPolarHBondContact O-CB 3.33Å; C779-K783 WeakPolarHBondContact O-CG 3.23Å; C779-K783 PolarHBondContact O-N 2.81Å; C779-K783 VanDerWaalsContact O-N 3.1Å; I780-K783 PolarHBondContact O-N 2.9Å; K783-R787 WeakPolarHBondContact O-CB 3.1Å; K783-R787 WeakPolarHBondContact O-CG 3.19Å; K783-R787 PolarHBondContact O-N 3.03Å
784A63.7Low63.9Low36 Ų36107.1 Ų107.130%0.29857%0.567SS.*Hα-helixtrans-72.5-34.4174.800000112.9I780 S781 V782 R788I780-A784 WeakPolarHBondContact O-CB 3.33Å; I780-A784 PolarHBondContact O-N 3.41Å; S781-A784 PolarHBondContact O-N 3.31Å; V782-A784 VanDerWaalsContact C-N 3.31Å; V782-A784 PolarHBondContact O-N 2.83Å; A784-R788 PolarHBondContact O-N 2.86Å; A784-R788 VanDerWaalsContact O-N 3.12Å
785A62.6Low62.7Low55 Ų55110.4 Ų110.446%0.45558%0.579SS.*Hα-helixtrans-66.9-49.5172.200000111.3S781 V782 R787 R788 S789S781-A785 PolarHBondContact O-N 2.87Å; V782-A785 PolarHBondContact O-N 2.93Å; A785-R787 VanDerWaalsContact C-N 3.28Å; A785-R787 PolarHBondContact O-N 2.72Å; A785-R788 PolarHBondContact O-N 2.84Å; A785-R788 VanDerWaalsContact O-N 3.13Å; A785-S789 PolarHBondContact O-N 3.19Å
786Q69.3Low60.9Low114 Ų114108.6 Ų108.653%0.53358%0.579SS.*Hα-helixtrans-59.1-36.1174.7-83.4-173.1-25.700112.9V782 R790V782-Q786 PolarHBondContact O-N 2.72Å; Q786-R790 WeakPolarHBondContact O-CB 3.31Å; Q786-R790 WeakPolarHBondContact O-CG 3.5Å; Q786-R790 PolarHBondContact O-N 3.39Å
787R68.7Low59.5Low200 Ų200111.6 Ų111.676%0.75559%0.59SS**Hα-helixtrans-67.9-37.9174.7-80.2-179.5173.6-172.9-2.4113.2K783 A785 R790 A791K783-R787 WeakPolarHBondContact O-CB 3.1Å; K783-R787 WeakPolarHBondContact O-CG 3.19Å; K783-R787 PolarHBondContact O-N 3.03Å; A785-R787 VanDerWaalsContact C-N 3.28Å; A785-R787 PolarHBondContact O-N 2.72Å; R787-R790 PolarHBondContact O-N 2.84Å; R787-A791 WeakPolarHBondContact O-CB 3.49Å; R787-A791 PolarHBondContact O-N 3.31Å
788R58.9Low57.9Low132 Ų132115.7 Ų115.750%0.49860%0.604SS.*Hα-helixtrans-68.3-43.4174.1-82.2-174.7-81.7-167.2-1.1112.4A784 A785 R790 A791 L792A784-R788 PolarHBondContact O-N 2.86Å; A784-R788 VanDerWaalsContact O-N 3.12Å; A785-R788 PolarHBondContact O-N 2.84Å; A785-R788 VanDerWaalsContact O-N 3.13Å; R788-R790 VanDerWaalsContact C-N 3.32Å; R788-R790 PolarHBondContact O-N 3.43Å; R788-A791 PolarHBondContact O-N 3.21Å; R788-L792 PolarHBondContact O-N 2.82Å
789S69Low56.6Low88 Ų88116.1 Ų116.162%0.61561%0.612SS**Hα-helixtrans-57-42.9172164.10000112.2A785 G793A785-S789 PolarHBondContact O-N 3.19Å; S789-G793 PolarHBondContact O-N 2.96Å
790R66.7Low54.8Low187 Ų187120.5 Ų120.571%0.70663%0.631SS**Hα-helixtrans-69-40.6176.2-75.1-176.2179.8-156.4-0.9113.5Q786 R787 R788 L792 G793 T794Q786-R790 WeakPolarHBondContact O-CB 3.31Å; Q786-R790 WeakPolarHBondContact O-CG 3.5Å; Q786-R790 PolarHBondContact O-N 3.39Å; R787-R790 PolarHBondContact O-N 2.84Å; R788-R790 VanDerWaalsContact C-N 3.32Å; R788-R790 PolarHBondContact O-N 3.43Å; R790-L792 PolarHBondContact O-N 3.4Å; R790-G793 PolarHBondContact O-N 2.87Å; R790-T794 PolarHBondContact O-N 3.36Å; R790-T794 PolarHBondContact O-OG1 3.48Å
791A54.4Low53.1Low60 Ų60119.4 Ų119.450%0.49664%0.639SS.*Hα-helixtrans-61.4-41.9-179.700000112.6R787 R788 G793 T794R787-A791 WeakPolarHBondContact O-CB 3.49Å; R787-A791 PolarHBondContact O-N 3.31Å; R788-A791 PolarHBondContact O-N 3.21Å; A791-G793 PolarHBondContact O-N 3.08Å; A791-T794 PolarHBondContact O-N 3.09Å; A791-T794 PolarHBondContact O-OG1 2.94Å
792L53.2Low51.9Low161 Ų161122.8 Ų122.884%0.84366%0.659SS**Hα-helixtrans-69.6-15.5174.8-71.3167000113.4R788 R790R788-L792 PolarHBondContact O-N 2.82Å; R790-L792 PolarHBondContact O-N 3.4Å
793G48.8Very low50.1Low60 Ų60122.9 Ų122.962%0.61967%0.669SS**THydrogen-bonded Turntrans-93.9-1.8177.500000115.4S789 R790 A791S789-G793 PolarHBondContact O-N 2.96Å; R790-G793 PolarHBondContact O-N 2.87Å; A791-G793 PolarHBondContact O-N 3.08Å
794T49.1Very low48.2Very low105 Ų105123 Ų12364%0.64468%0.681SS**SBendtrans-105.3-9.4-170.333.50000116.8R790 A791 G796R790-T794 PolarHBondContact O-N 3.36Å; R790-T794 PolarHBondContact O-OG1 3.48Å; A791-T794 PolarHBondContact O-N 3.09Å; A791-T794 PolarHBondContact O-OG1 2.94Å; T794-G796 PolarHBondContact O-N 3.08Å; T794-G796 VanDerWaalsContact O-N 3.11Å
795E40.8Very low46.8Very low192 Ų192128.6 Ų128.690%0.89770%0.701SS**SBendtrans-76.613.2176.9-72.4-80.1110.600113.5
796G34Very low45.6Very low57 Ų57136.3 Ų136.359%0.58872%0.718SS**SBendtrans-147.447.5-161.700000117.4T794T794-G796 PolarHBondContact O-N 3.08Å; T794-G796 VanDerWaalsContact O-N 3.11Å
797R33.7Very low44Very low219 Ų219136.1 Ų136.183%0.82673%0.73SS**  trans-174.2149.7152.5-109.5163.3-166.9-134.83115
798H32.6Very low42.3Very low165 Ų165131.4 Ų131.476%0.76473%0.727SS**  trans66.5111169.7-55.9-71000118.7
799L34.9Very low41.2Very low161 Ų161132.6 Ų132.684%0.84374%0.743SS**  -155.1114.1114.1-92.6-176.9000110.9
800L34Very low39.6Very low153 Ų153133 Ų13380%0.80175%0.746SS**  trans47101149.4-58.9171.3000120.4
801A33Very low38Very low93 Ų93131 Ų13177%0.76975%0.748SS**  89.6152.675.100000115.3
802P38.4Very low37.2Very low130 Ų130136.3 Ų136.384%0.84476%0.762SS**  -138.4177.8-128.245-29.9000119.6
803A34.1Very low36.3Very low86 Ų86133.9 Ų133.971%0.71176%0.759SS**  trans-157131156.100000109.9
804T33.1Very low35.5Very low130 Ų130139 Ų13980%0.79877%0.771SS**  49.7131.49011.40000115.2
805E34.1Very low34.8Very low152 Ų152138.5 Ų138.571%0.7177%0.772SS**  cis-145.9146.619.9-48.3-171.591.100112.6
806R36.4Very low34.5Very low217 Ų217137.9 Ų137.982%0.81977%0.769SS**  87.5150.496-75-179.3158.3164.9-7.9120.2
807S35.7Very low34.6Very low111 Ų111139.5 Ų139.578%0.77678%0.777SS**  trans71129.4-179.767.20000116.5
808S33.3Very low34.8Very low101 Ų101136.5 Ų136.571%0.70678%0.777SS**  cis94.5126.626.575.40000113.9
809L36.1Very low34.9Very low157 Ų157135.5 Ų135.582%0.82278%0.777SS**  -160.7157.261.2-75.4162.2000115.4
810S35Very low35Very low97 Ų97131.3 Ų131.368%0.67877%0.766SS**  trans42.6129.2150.1570000122.4
811L34.2Very low34.9Very low145 Ų145135.5 Ų135.576%0.75977%0.771SS**  cis71.2141.242.3-56.5171.4000114.3
812H36.2Very low35.1Very low170 Ų170136.7 Ų136.779%0.78777%0.771SS**  cis-123.3-154.58.6-70.3-92.5000111
813S34.2Very low35.2Very low111 Ų111136.7 Ų136.778%0.77677%0.771SS**  cis-157.8-163.210.4-156.80000112.9
814L32.1Very low35.1Very low166 Ų166136.2 Ų136.287%0.86978%0.775SS**  trans-143.3-178.1-164-68.6171.8000116.5
815S34.1Very low35.2Very low96 Ų96139.1 Ų139.167%0.67178%0.78SS**  trans104.3119.7174.2-70.70000115.7
816E35.1Very low35.2Very low179 Ų179140.6 Ų140.684%0.83679%0.791SS**  73.1135.563.9-65.2160.8155.700112.5
817A37.4Very low34.9Very low90 Ų90134.6 Ų134.674%0.74479%0.788SS**  cis-164.6-169.3-12.900000107.3
818D37.2Very low34.6Very low156 Ų156135 Ų13583%0.83479%0.789SS**  cis-165.2-165.1-2-144-44.6000110.5
819D35.3Very low34.4Very low144 Ų144139.7 Ų139.777%0.7780%0.797SS**  trans89.597.3146.5-125.9-2.8000122.9
820A35.3Very low34.1Very low74 Ų74144 Ų14461%0.61280%0.802SS**  63.6128.3123.800000127.4
821R33.3Very low34.2Very low241 Ų241144.6 Ų144.691%0.90980%0.804SS**  trans91.3134.3137.5-74.7171.3-172.3-163.83.3122.7
822P35.7Very low34Very low117 Ų117143.6 Ų143.676%0.7681%0.806SS**  trans-121-159.2174.446.3-34.7000112.5
823P41.4Very low33.7Very low130 Ų130141.2 Ų141.284%0.84481%0.809SS**  cis-121.4174.5-39.626.1-6.2000112.9
824G33Very low33.8Very low77 Ų77141.8 Ų141.879%0.79481%0.81SS**  trans-155.3145.7170.700000113.8
825Q33.4Very low33.7Very low191 Ų191139.8 Ų139.889%0.89381%0.805SS**  trans-87139.9-179.6-61175.60.200112
826L35.2Very low33.6Very low182 Ų182142.5 Ų142.595%0.95381%0.811SS**  trans-175161.7139.7-103.8164.3000110.8
827A30.7Very low33.4Very low91 Ų91142.7 Ų142.775%0.75281%0.812SS**  trans-99.7130.3-168.100000114.2
828C29.2Very low33.2Very low119 Ų119146.5 Ų146.580%0.80481%0.814SS**  trans-168149.3144-107.20000114.3
829K28.5Very low32.9Very low201 Ų201143.9 Ų143.987%0.87481%0.813SS**  trans16.7114.6153.8-57.6177.7-177.5177.70118.2
830R29.8Very low32.8Very low247 Ų247145.1 Ų145.193%0.93282%0.819SS**PPolyproline II helixtrans-100.2130.3166.3-133.8177.7-165.31794.4111.6
831P36.6Very low32.8Very low109 Ų109146.7 Ų146.771%0.70883%0.825SS**PPolyproline II helixtrans-82167.8171.734.5-35.1000112.2
832P29.7Very low32.8Very low125 Ų125142.4 Ų142.481%0.81282%0.815SS**PPolyproline II helixtrans-83.9133.6-176.932.8-34.6000113.3
833S31.2Very low33Very low119 Ų119144.9 Ų144.983%0.83282%0.822SS**  trans-176158.9166.6-80.70000110.4
834P35.7Very low32.7Very low123 Ų123144.7 Ų144.780%0.79981%0.814SS**  cis-124172.6-17.837-21.3000113.4
835T30.7Very low32.9Very low125 Ų125149.5 Ų149.577%0.76782%0.82SS**  trans-71.8137.9176.9-44.50000112.3Q837T835-Q837 PolarHBondContact O-N 2.93Å
836L31.7Very low32.9Very low153 Ų153145.8 Ų145.880%0.80182%0.815SS**  trans-73.2102.3164.8-86.9169.4000110.5
837Q29.9Very low32.8Very low183 Ų183142.8 Ų142.886%0.85581%0.81SS**PPolyproline II helixtrans-83.1121.9162.1-69.9177.9-42.500109T835T835-Q837 PolarHBondContact O-N 2.93Å
838H33.5Very low33.1Very low170 Ų170143.4 Ų143.479%0.78781%0.809SS**PPolyproline II helixtrans-101.4125.8163.7-87-79.8000109.4
839A31Very low33.5Very low100 Ų100144.6 Ų144.683%0.82681%0.812SS**PPolyproline II helixtrans-76.8153-172.300000113.3
840I33Very low33.8Very low171 Ų171138.8 Ų138.888%0.87781%0.81SS**  trans-127.2132.7152.6-54.3180000105.5
841S35.3Very low34.1Very low106 Ų106136.8 Ų136.874%0.74181%0.811SS**  trans-68.5154.1-177-170.50000112.1
842E33.5Very low34.1Very low151 Ų151135 Ų13571%0.70681%0.812SS**  trans-68.3151.4157.6-61.4-165.8174.800110.8N844E842-N844 PolarHBondContact OE2-ND2 2.86Å
843D40.7Very low34.5Very low169 Ų169134.9 Ų134.990%0.90481%0.812SS**  trans-142112.9158.8-104.7-41.7000107.5
844N34.2Very low34.6Very low127 Ų127134.5 Ų134.568%0.67981%0.809SS**  trans-99.8119.6-174.5-83.1-78.7000111.1E842E842-N844 PolarHBondContact OE2-ND2 2.86Å
845L37.8Very low34.6Very low177 Ų177140.4 Ų140.493%0.92782%0.815SS**  trans-133.7116.1163.8-77.9-179.5000112.7
846S33.1Very low34.8Very low113 Ų113138.3 Ų138.379%0.7981%0.81SS**  trans-57.7154.9-172.8-42.70000116.8
847S34.2Very low35Very low120 Ų120138.2 Ų138.284%0.83982%0.816SS**  173.7168.7103.948.50000114.3
848S35.9Very low35.4Very low104 Ų104132.5 Ų132.573%0.72781%0.807SS**  trans85.959.8166.7-162.90000120.5
849T37.7Very low35.9Very low143 Ų143130.3 Ų130.388%0.87781%0.807SS**  25.4128.9126.654.60000121.4
850G34.5Very low36.2Very low80 Ų80137.8 Ų137.883%0.82581%0.814SS**  trans179.1112.4160.300000114.5
851E36.2Very low36.4Very low205 Ų205133.2 Ų133.296%0.95881%0.809SS**  trans-76.4170.1177.1-52.9176.1151.200111.8
852G35.8Very low36.5Very low70 Ų70136.2 Ų136.272%0.72282%0.817SS**  cis177.5157.7-1.300000109.6
853P38.3Very low36.7Very low124 Ų124131.8 Ų131.881%0.80581%0.811SS**  trans-114.2159.2-160.940.2-33.7000117.2
854S35Very low36.5Very low111 Ų111131.1 Ų131.178%0.77681%0.814SS**  trans-173.5134153-92.10000116.5
855R35.4Very low36.6Very low246 Ų246128.4 Ų128.493%0.92882%0.816SS**  trans50.2159.8142-70.1177.1157.6176.9-6.7121.7
856A33.3Very low36.4Very low81 Ų81124.7 Ų124.767%0.66981%0.805SS**  cis-174.8174.7-28.700000110.5
857V36.4Very low36.4Very low151 Ų151130 Ų13092%0.91581%0.808SS**  trans81.1149.5164.4-167.90000117.7
858G38.7Very low36.4Very low64 Ų64129.6 Ų129.666%0.6680%0.8SS**  trans-138.3-123.4-176.700000114.5
859P44Very low36.2Very low123 Ų123134.9 Ų134.980%0.79980%0.804SS**  -133.6171.3-91.342-31.8000116.8
860R38.1Very low36Very low257 Ų257131.7 Ų131.797%0.9780%0.799SS**  trans171.6155.6158.1-89.7145.7-164-80.43.5106.8
861G37Very low35.9Very low75 Ų75135.6 Ų135.677%0.77380%0.796SS**  cis158.9172.311.200000106.1
862D36.4Very low35.8Very low170 Ų170135.1 Ų135.191%0.90979%0.791SS**  cis-166.5158.9-10.7-159.9-6000110.6
863G37.9Very low35.7Very low57 Ų57141.2 Ų141.259%0.58880%0.797SS**  trans72.7165.9163.600000121.6
864T37.1Very low35.3Very low155 Ų155140.4 Ų140.495%0.95179%0.794SS**  cis-170.6151.9-28.33.30000113.4
865G35.7Very low35.1Very low71 Ų71142.8 Ų142.873%0.73280%0.797SS**  trans109.4126.2166.900000115.1
866S34.3Very low34.9Very low99 Ų99135.5 Ų135.569%0.69278%0.784SS**  cis79.2133.235.4-155.20000113.1
867W32.9Very low34.8Very low225 Ų225140.7 Ų140.785%0.85279%0.791SS**  -155.9148.753.9-87.168.6000116.7
868V34.9Very low34.5Very low111 Ų111143.2 Ų143.267%0.67379%0.79SS**  trans31.4111.5135.3-171.80000119.3
869R30.6Very low33.9Very low215 Ų215150.6 Ų150.681%0.81180%0.798SS**  72.2125.569.1179-172-83-117.35.9117.3
870G33.5Very low33.3Very low75 Ų75151.7 Ų151.777%0.77379%0.792SS**  trans-161.4149162.300000113.6
871Q31.6Very low32.8Very low162 Ų162148.4 Ų148.476%0.75779%0.787SS**  trans-143146.9-175.2-66.6179.7-81.200114.4
872K35.5Very low32.5Very low196 Ų196150.2 Ų150.285%0.85279%0.788SS**  trans-177130.7144.1-96.1150.8-173.9-179.50107.9
873K32.9Very low32.4Very low198 Ų198149.8 Ų149.886%0.86179%0.785SS**  60.8132.876.2-75-170.9175.4-174.80113.4
874C29.8Very low32.2Very low107 Ų107154.8 Ų154.872%0.72379%0.793SS**  cis-170.8173.4-10.5-153.90000110.7
875L31.4Very low32.2Very low161 Ų161152 Ų15284%0.84379%0.786SS**  trans67.4148.5162.3-62.2161.6000117.6
876S30.6Very low32.2Very low93 Ų93158.1 Ų158.165%0.6579%0.793SS**  cis-169.9161.6-12.959.50000113.6
877K32.3Very low32.5Very low190 Ų190164 Ų16483%0.82680%0.8SS**  trans62.9110.4151.6-74.4177.5179174.20123.2
878K28.9Very low32.6Very low204 Ų204164.9 Ų164.989%0.88780%0.803SS**  68.6151.4129.5-81.5-169.1170.8-172.30121.8
879R27.4Very low32.6Very low219 Ų219169.3 Ų169.383%0.82681%0.813SS**  trans69.5147.8178-106.1173.3151.6155.7-10.9113.7
880E30.4Very low33.1Very low145 Ų145170.9 Ų170.968%0.67882%0.819SS**  cis-144.1158.76.3-165132.7-141.100111
881E28Very low33.1Very low188 Ų188179 Ų17988%0.87983%0.826SS**  trans-75165.5169.5-70.5175.495.500111.4
882S31Very low33.1Very low113 Ų113177.1 Ų177.179%0.7983%0.831SS**  trans10366.1169.1-157.40000118.2
883L34.2Very low33.2Very low161 Ų161179.3 Ų179.384%0.84383%0.834SS**  trans-139.3-20.8157.3-82.1-176.2000116.2A885L883-A885 PolarHBondContact O-N 3.16Å
884E33.5Very low33.2Very low162 Ų162174.6 Ų174.676%0.75783%0.826SS**THydrogen-bonded Turntrans-80.538.7-173.8-156.153.8-119.400114.6
885A36Very low33.5Very low98 Ų98179 Ų17981%0.8183%0.833SS**THydrogen-bonded Turntrans-102.4-1.3178.200000113.7L883L883-A885 PolarHBondContact O-N 3.16Å
886K37.5Very low33.7Very low199 Ų199178.9 Ų178.987%0.86583%0.828SS**SBendtrans-113.66.9-165.8-109.3171.9-179.7171.70116.7
887R40.4Very low34.1Very low223 Ų223180.9 Ų180.984%0.84284%0.836SS**  trans-112.853.7-179.6-74.3-171.9164.5-148.1-3.2115.1
888R35Very low34.1Very low242 Ų242178.5 Ų178.591%0.91384%0.838SS**  trans-127.988165.8-87.6-173.3168.9-177.7-1.8112.4
889K34.7Very low34.5Very low205 Ų205171.9 Ų171.989%0.89183%0.828SS**  trans179.799.7154.2-107168.5-178178.20112.3
890R39.7Very low35Very low248 Ų248171 Ų17194%0.93683%0.833SS**  trans177.2150.4139.3-101.1166.4-178.8-143.3-3.1111.9
891R34.4Very low35.1Very low244 Ų244167.4 Ų167.492%0.92184%0.835SS**  trans55.379.6174-72.8-172.3170.3-179.4-2.7117.4
892S31.2Very low35.5Very low123 Ų123167.3 Ų167.386%0.8684%0.84SS**  -78.3138.3127.1-49.60000108.4
893R38.2Very low35.9Very low243 Ų243167.8 Ų167.892%0.91784%0.843SS**  trans-157.3136150.1-120.6179.9-174.7-168.9-0.2109.9
894S33.5Very low36Very low99 Ų99171.7 Ų171.769%0.69285%0.847SS**  trans-68.4159.4-171.9-3.90000112.9
895F34.4Very low36Very low199 Ų199169.8 Ų169.887%0.87385%0.848SS**  trans-125.6116.7148.4-155.6-85.8000107.1
896E35.8Very low36.1Very low158 Ų158174.7 Ų174.774%0.73885%0.851SS**  trans-93.7141.8-179.9-67.2173.8153.600109.2
897V38.7Very low36Very low135 Ų135170.6 Ų170.682%0.81884%0.843SS**  trans-110.8103.7172.2176.10000107.8G899V897-G899 PolarHBondContact O-N 2.95Å
898T33Very low35.9Very low140 Ų140167.6 Ų167.686%0.85984%0.838SS**  trans-72.4114.6177.7-44.50000109.9
899G37.2Very low36.1Very low66 Ų66162.4 Ų162.468%0.6883%0.828SS**  trans-141112.4177.900000111.3V897V897-G899 PolarHBondContact O-N 2.95Å
900Q37.6Very low36.2Very low199 Ų199160.7 Ų160.793%0.9383%0.828SS**  trans-69.7153173.4-62.6157.7-14.500109.9
901G33Very low36Very low70 Ų70152.2 Ų152.272%0.72282%0.817SS**  cis144.984.3-0.400000111.5
902L37.1Very low36Very low186 Ų186146.3 Ų146.397%0.97481%0.81SS**  trans-142.7121.4173.5-76.8176.8000110.5
903S38Very low36.1Very low123 Ų123151.7 Ų151.786%0.8681%0.812SS**  trans-132.5148.8175.554.30000111.2
904R37.9Very low36Very low244 Ų244144.8 Ų144.892%0.92180%0.799SS**  trans-84.3145.9178.6-75.8177167.3176.1-5.3111
905P33.8Very low36Very low121 Ų121145.2 Ų145.279%0.78680%0.802SS**  trans-85.7151.9179.234.5-35.3000113.1
906K37.6Very low36.1Very low202 Ų202145.2 Ų145.288%0.87880%0.804SS**  trans-137.9138.9143.2-90.4-167173.7-175.10109.6
907T34.5Very low36Very low113 Ų113140.8 Ų140.869%0.69380%0.802SS**  trans-28.6145.2165.9110000114.7
908H39.7Very low35.9Very low159 Ų159142.9 Ų142.974%0.73681%0.807SS**  -152.8143.360.3-91.8-96.3000116.1
909L38.4Very low36.1Very low133 Ų133141.1 Ų141.170%0.69680%0.801SS**  trans54.5120.7140-62.1168.9000122.7
910L36.8Very low36Very low170 Ų170143.7 Ų143.789%0.8980%0.799SS**  trans59.5131.3141-51.9169.9000118.5
911G34.5Very low36Very low70 Ų70145.6 Ų145.672%0.72280%0.797SS**  cis-152.4-165.89.900000112.9
912P36Very low36.1Very low119 Ų119152 Ų15277%0.77380%0.8SS**  trans-122.3140.7-142.539.3-29000119.9
913R33.4Very low36.2Very low236 Ų236151 Ų15189%0.89179%0.792SS**  trans69168.5136.1-77.3-168.8177.6-157.80.6119.9
914P36.3Very low36.2Very low99 Ų99150.4 Ų150.464%0.64379%0.785SS**  cis-144.2167.3-38.339.9-23.2000117.4
915S33.5Very low36.1Very low108 Ų108143 Ų14376%0.75578%0.776SS**  trans69.7161.9138.8-67.20000124.7
916E36.5Very low36.1Very low198 Ų198143.7 Ų143.793%0.92578%0.782SS**  trans75.3140.9166.4-50.1-171.2-172.700118.1
917G33.6Very low36Very low66 Ų66137 Ų13768%0.6877%0.771SS**  cis166142.3-13.400000114.3
918L35Very low35.8Very low179 Ų179143.3 Ų143.394%0.93778%0.782SS**  trans65163.5164.2-66.9160.9000116.8
919S38.3Very low35.8Very low103 Ų103141.4 Ų141.472%0.7278%0.784SS**  cis-162.5147.7-12.842.90000113.9
920D35.3Very low35.6Very low120 Ų120140.6 Ų140.664%0.64279%0.79SS**  trans32.7131.3145.4-17334.2000123.6R922D920-R922 PolarHBondContact OD1-N 2.68Å
921R37.4Very low35.8Very low238 Ų238139 Ų13990%0.89879%0.789SS**  -163.794.8129.9-111.5173.8-173.8-115.83116.8
922R35.3Very low35.9Very low205 Ų205139 Ų13977%0.77479%0.789SS**  42.4107.8126.3-161.4175.9-59.9-155.20.6123.1D920D920-R922 PolarHBondContact OD1-N 2.68Å
923M38.2Very low36Very low164 Ų164138.9 Ų138.981%0.80879%0.786SS**  31.3160.2117.1-68.6-63.6-81.800122.4
924P39.4Very low36Very low112 Ų112138.3 Ų138.373%0.72778%0.784SS**  cis-148.9179.428.344.7-24000120.5
925A34.5Very low36.1Very low88 Ų88142.6 Ų142.673%0.72780%0.795SS**  trans28.9150145.400000122.9
926C34.2Very low36.1Very low135 Ų135145.1 Ų145.191%0.91280%0.799SS**  cis-153.2-172.26-137.40000109.4
927G34.5Very low35.9Very low63 Ų63139.3 Ų139.365%0.64979%0.793SS**  cis-172.8-144.47.400000112.6
928R31.7Very low36Very low245 Ų245145.5 Ų145.593%0.92580%0.801SS**  trans-153.1153.1179.5-99.3-172.5178.3-161.11.1110.7
929P38.6Very low35.9Very low118 Ų118144.1 Ų144.177%0.76680%0.8SS**  -154.9160.388.140.7-21.3000119.3
930S35.4Very low35.7Very low117 Ų117144.3 Ų144.382%0.81880%0.801SS**  trans33.1156.9138.9-51.50000125.6
931P39.4Very low35.6Very low135 Ų135146.6 Ų146.688%0.87781%0.812SS**  trans-114.7167-165.342.9-33.5000117.4
932G37.6Very low35.6Very low70 Ų70140.7 Ų140.772%0.72281%0.805SS**  trans-178.8174.6159.900000110.4
933V39Very low35.4Very low118 Ų118139.1 Ų139.172%0.71581%0.811SS**  cis-169.3133.7-16.4126.50000106.8
934R32.6Very low35.2Very low223 Ų223135.9 Ų135.984%0.84281%0.81SS**  trans63.9143.6175-62.4158.2-167.1-179.53.3114.5
935H37.9Very low34.8Very low190 Ų190139.8 Ų139.888%0.8882%0.816SS**  cis-135.3164.146.6-100.9-103.4000115.3
936L34.3Very low34.6Very low160 Ų160142.2 Ų142.284%0.83882%0.821SS**  trans-108140.4175-97.8158.7000110.5
937G32.7Very low34.5Very low77 Ų77144.9 Ų144.979%0.79482%0.817SS**  trans-136122.6166.800000109.9
938K34.3Very low34.3Very low195 Ų195151.3 Ų151.385%0.84883%0.828SS**  trans-108.4137.5175.1-64.1-178.6179.2-178.70109.2
939V33.9Very low34.9Very low151 Ų151145.1 Ų145.192%0.91582%0.819SS**  trans-130.8140.8162.5-177.70000108.2
940S34.5Very low34.7Very low107 Ų107145.2 Ų145.275%0.74882%0.82SS**  trans-106.7149.7-175.4-177.10000111.6
941L31.9Very low34.4Very low167 Ų167147.4 Ų147.487%0.87482%0.822SS**  trans-59.6142.6167.3-66.3167.4000111.6
942P38Very low34.3Very low114 Ų114149.8 Ų149.874%0.7482%0.822SS**  trans-105136.2157.734.8-26.9000111.8
943L30.5Very low34Very low172 Ų172153.3 Ų153.390%0.90182%0.824SS**  trans-73.3129.2178.4-141.777000111.3
944A35.1Very low33.7Very low96 Ų96154 Ų15479%0.79383%0.829SS**  trans-115.6122.9177.500000112.2
945K29.4Very low33.7Very low195 Ų195147 Ų14785%0.84883%0.825SS**  trans-98.2116.5-178.7-67.6175177.81750112
946V31.6Very low33.5Very low139 Ų139144 Ų14484%0.84283%0.826SS**  trans-141.193.9164.3-172.70000107.2
947K31.6Very low33.5Very low191 Ų191140 Ų14083%0.8382%0.824SS**  73.99268.5-162.8177.5-174.3-179.20112.9
948F29.5Very low33.6Very low197 Ų197143.7 Ų143.786%0.86483%0.825SS**PPolyproline II helixtrans-63.2148.8173.5-66.1-93.3000113.1
949P45.4Very low33.8Very low116 Ų116139.8 Ų139.875%0.75382%0.82SS**PPolyproline II helixtrans-80.8150.5158.734.4-32.5000111.6
950P35.1Very low33.9Very low119 Ų119138.5 Ų138.577%0.77382%0.817SS**PPolyproline II helixtrans-93.2161.9-175.836.6-36.2000114.7
951N29Very low34Very low163 Ų163139 Ų13987%0.87282%0.818SS**PPolyproline II helixtrans-70.7136.4173.8-83.3-21.2000113.8
952Q36.9Very low34.3Very low185 Ų185138.4 Ų138.486%0.86482%0.815SS**  trans-144.8116.3150.5-59.1-176.21800105.6
953N30.8Very low34.2Very low144 Ų144139.8 Ų139.877%0.7782%0.816SS**  cis99.2138.824.7-161.224.4000114.2
954T32Very low34.4Very low134 Ų134138 Ų13882%0.82281%0.812SS**  trans79.1144.617673.50000119.6
955G33.3Very low34.4Very low74 Ų74137.5 Ų137.576%0.76381%0.807SS**  trans103.267.7176.100000115.4
956S33Very low34.9Very low127 Ų127133.8 Ų133.889%0.88880%0.803SS**  67.3113.765.6-164.50000114.6
957G36.2Very low34.9Very low77 Ų77134.5 Ų134.579%0.79480%0.802SS**  trans179.235.2-175.300000119
958N34.5Very low35.1Very low154 Ų154135 Ų13582%0.82481%0.808SS**  trans14.1148.2170.6-73.9-2.6000125.1
959P38.4Very low35.3Very low114 Ų114130.6 Ų130.674%0.7481%0.807SS**  trans-103.4180179.342.2-37000115.1
960S35.8Very low34.8Very low123 Ų123128.5 Ų128.586%0.8681%0.806SS**  trans-159.4131.8158.5-77.70000112.9
961P37.4Very low34.9Very low117 Ų117129.4 Ų129.476%0.7681%0.81SS**  trans-121.7158.1179.640.8-30.7000115.4
962L37.3Very low35.1Very low156 Ų156126.4 Ų126.482%0.81780%0.801SS**  trans-145.7118.3163-66.7176.4000108
963L35.9Very low35.1Very low143 Ų143129.1 Ų129.175%0.74980%0.803SS**  70.8107.483.3-68.3176.4000113.4
964V35.1Very low35.1Very low135 Ų135133.3 Ų133.382%0.81881%0.809SS**  70.4135.187.7165.50000113.2
965A34.2Very low35.4Very low85 Ų85131.8 Ų131.870%0.70281%0.809SS**  cis-163-130.6-1500000108.8
966P39.7Very low35.5Very low116 Ų116133.9 Ų133.975%0.75381%0.807SS**  -124.6176.2-121.140-21.8000117.4
967N31.1Very low35.7Very low154 Ų154140 Ų14082%0.82481%0.811SS**  trans36.4117.9155.7-77.4-0.8000121
968Q37.7Very low35.6Very low203 Ų203139.6 Ų139.695%0.94981%0.807SS**  trans-157.7161.9132.5-119.7163.991.500112.8
969A33.7Very low36.1Very low104 Ų104138.8 Ų138.886%0.8681%0.81SS**  trans-112.3156.1-174.600000112.1
970G34.5Very low35.9Very low71 Ų71138.3 Ų138.373%0.73281%0.809SS**  trans179.386.4178.500000118.7
971V35.8Very low35.9Very low139 Ų139140.2 Ų140.284%0.84281%0.809SS**  trans45.1103.7133.8-174.50000120.4
972S34.8Very low36.1Very low99 Ų99140 Ų14069%0.69281%0.807SS**  58.9124.8129.7-159.70000122.3
973R36Very low36.1Very low242 Ų242141.7 Ų141.791%0.91381%0.811SS**  -171124.7101.6-100.5175.2-176.1-165.41.6116.4
974R31.8Very low36.4Very low233 Ų233138.1 Ų138.188%0.87981%0.808SS**  trans-28.4131.8159178.7-167.1-162.9178.56.9117.4
975A37.2Very low36.6Very low101 Ų101137.5 Ų137.584%0.83581%0.81SS**  trans-149.3141.7150.200000111.3
976T35.3Very low37Very low118 Ų118139.1 Ų139.172%0.72482%0.816SS**  trans-126.3140.2-175.650.10000111.6
977R36.9Very low36.9Very low257 Ų257140 Ų14097%0.9782%0.819SS**  trans-178149.1143.4-105.5161.8-173.3-167.41.6112.3
978G34.2Very low37.3Very low68 Ų68143.4 Ų143.470%0.70183%0.827SS**  trans-135.8165.7156.900000109.3
979P44.7Very low37.8Very low137 Ų137137.4 Ų137.489%0.8982%0.82SS**  trans-117.4173.3170.138.5-27.3000113
980S33.9Very low38.2Very low103 Ų103141.3 Ų141.372%0.7282%0.818SS**  trans-148151.3-170.858.90000113.9
981L36.5Very low38.8Very low163 Ų163145.2 Ų145.285%0.85382%0.822SS**  trans71.1153.4162.8-70.3168.3000115.4
982P42.8Very low39.2Very low112 Ų112142 Ų14273%0.72782%0.816SS**  -145.4160.760.539.1-18.2000120.6
983H37.5Very low39.5Very low193 Ų193148.4 Ų148.489%0.89483%0.826SS**  trans35.5145.7146.5-63.6-60.7000126.1
984G41.3Very low40Very low67 Ų67143.5 Ų143.569%0.69182%0.817SS**  trans15368.5162.100000114.6
985S39.9Very low40.7Very low123 Ų123139.5 Ų139.586%0.8681%0.808SS**  79.2102.790.769.50000117.3
986S41.2Very low41.4Very low118 Ų118141.7 Ų141.783%0.82580%0.801SS**  trans-174.8126147-174.80000111.7
987T37.3Very low41.9Very low134 Ų134146.6 Ų146.682%0.82282%0.823SS**  trans-153.6133.517149.10000111
988F41Very low42.2Very low226 Ų226141.1 Ų141.199%0.99182%0.815SS**  trans-139.5132.1165.8-103.4-86.9000109.5
989G48.6Very low42.6Very low78 Ų78144.9 Ų144.980%0.80482%0.821SS**  trans163123.1-177.700000108.9
990K41.5Very low42.5Very low185 Ų185145.4 Ų145.480%0.80482%0.818SS**  trans-123.2160.2-167.7-103.1-166177.6-171.70111.7
991D47.3Very low43Very low153 Ų153147.9 Ų147.982%0.81882%0.823SS**  trans66.8143.9162.1-46.5-36.7000116.9
992G43.3Very low43.4Very low71 Ų71146.9 Ų146.973%0.73282%0.821SS**  cis-177.1128.5-8.300000114.1
993R41.6Very low43.5Very low235 Ų235149.3 Ų149.389%0.88783%0.828SS**  trans16129.6158.9-92.2-175.3174.1-152.80.5121.1
994L45.6Very low43.9Very low138 Ų138146.1 Ų146.172%0.72382%0.823SS**  170.3129114.9-85.1162.9000107.3
995Q47.4Very low44.1Very low149 Ų149152.2 Ų152.270%0.69683%0.833SS**  53.7135.387.9-78-176.4-38.200114.6
996H50.7Low44.4Very low147 Ų147154.7 Ų154.768%0.68183%0.831SS**  cis-150.6158.914-139.8-76.6000112.3
997N47.8Very low44.7Very low222 Ų222158 Ų158100%1.18783%0.831SS**  trans69.10176.5-63.75.1000116.6

Retrieved 997 of 997 residues in 1273.6 ms (Link to these results)

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