A0A096N5G0_PAPAN Loading...

Inactive hydroxysteroid dehydrogenase-like protein 1

AlphaFold DB (G7PZV5), UniProt , Accession A0A096N5G0, Species PAPAN (Papio anubis, Olive baboon), Gene HSDL1, Length 330 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
1M52.8Low67Low228 Ų228121 Ų121100%1.12365%0.65SS**  0-5.60-129.9164.1160.200114.1
2A56.1Low68Low85 Ų85123.8 Ų123.870%0.70265%0.645SS**  trans-86.2-8.5-175.300000116.6
3A54.7Low68.7Low84 Ų84124.8 Ų124.869%0.69465%0.645SS**Hα-helixtrans-80.6-23-177.900000113.6
4V55.8Low69.2Low109 Ų109122.4 Ų122.466%0.66163%0.632SS**Hα-helixtrans-76.4-34.8-177-1760000111.3S6 F7 Y8V4-S6 VanDerWaalsContact C-N 3.32Å; V4-S6 PolarHBondContact O-N 3.42Å; V4-F7 PolarHBondContact O-N 3.1Å; V4-Y8 PolarHBondContact O-N 3.46Å
5D60.3Low69.4Low106 Ų106117.1 Ų117.157%0.56761%0.613SS**Hα-helixtrans-68.7-30.7178-67.1-33.1000112.7L9D5-L9 WeakPolarHBondContact O-CB 3.46Å; D5-L9 WeakPolarHBondContact O-CD1 3.45Å; D5-L9 VanDerWaalsContact O-CG 3.32Å; D5-L9 WeakPolarHBondContact O-CG 3.32Å; D5-L9 PolarHBondContact O-N 3Å; D5-L9 VanDerWaalsContact O-N 3.1Å
6S70.1Confident69.8Low82 Ų82122.6 Ų122.657%0.57362%0.623SS**Hα-helixtrans-67.3-42.2176.9-178.20000112.2V4 L10V4-S6 VanDerWaalsContact C-N 3.32Å; V4-S6 PolarHBondContact O-N 3.42Å; S6-L10 WeakPolarHBondContact O-CB 3.44Å; S6-L10 PolarHBondContact O-N 3.19Å
7F75.3Confident70Confident146 Ų146119.6 Ų119.664%0.6462%0.616SS**Hα-helixtrans-66.9-41.1176.8-178.7-97.5000112.1V4 L10 Y11V4-F7 PolarHBondContact O-N 3.1Å; F7-L10 PolarHBondContact O-N 2.99Å; F7-Y11 VanDerWaalsContact O-CB 3.3Å; F7-Y11 WeakPolarHBondContact O-CB 3.37Å; F7-Y11 PolarHBondContact O-N 2.97Å
8Y77.7Confident70.2Confident138 Ų138116.1 Ų116.154%0.54160%0.603SS.*Hα-helixtrans-63.1-42.2178177.8-100.3000112.4V4 R12V4-Y8 PolarHBondContact O-N 3.46Å; Y8-R12 WeakPolarHBondContact O-CB 3.13Å; Y8-R12 PolarHBondContact O-N 3.13Å
9L79.1Confident70.8Confident104 Ų104114.3 Ų114.355%0.54559%0.594SS.*Hα-helixtrans-66.3-44.9176.2-73167.1000111.9D5 Y11 R12 E13D5-L9 WeakPolarHBondContact O-CB 3.46Å; D5-L9 WeakPolarHBondContact O-CD1 3.45Å; D5-L9 VanDerWaalsContact O-CG 3.32Å; D5-L9 WeakPolarHBondContact O-CG 3.32Å; D5-L9 PolarHBondContact O-N 3Å; D5-L9 VanDerWaalsContact O-N 3.1Å; L9-Y11 PolarHBondContact O-N 3.39Å; L9-R12 PolarHBondContact O-N 3.39Å; L9-E13 WeakPolarHBondContact O-CB 3.31Å; L9-E13 PolarHBondContact O-N 2.82Å
10L76.4Confident71.4Confident100 Ų100112.2 Ų112.252%0.52459%0.589SS.*Hα-helixtrans-60.3-45.3175.8-173.572.6000111.4S6 F7 R12 E13 I14S6-L10 WeakPolarHBondContact O-CB 3.44Å; S6-L10 PolarHBondContact O-N 3.19Å; F7-L10 PolarHBondContact O-N 2.99Å; L10-R12 VanDerWaalsContact C-N 3.35Å; L10-R12 PolarHBondContact O-N 2.94Å; L10-E13 PolarHBondContact O-N 2.9Å; L10-I14 HydrophobicContact CD1-CD1 4.35Å; L10-I14 HydrophobicContact CD2-CD1 4.44Å; L10-I14 HydrophobicContact CG-CD1 3.88Å; L10-I14 WeakPolarHBondContact O-CB 3.45Å; L10-I14 VanDerWaalsContact O-CG1 3.22Å; L10-I14 WeakPolarHBondContact O-CG1 2.96Å; L10-I14 PolarHBondContact O-N 3.39Å
11Y78.3Confident72Confident149 Ų149114.5 Ų114.558%0.58459%0.591SS**Hα-helixtrans-61-42.7175.9176.8-99000111.9F7 L9 E13 I14 A15F7-Y11 VanDerWaalsContact O-CB 3.3Å; F7-Y11 WeakPolarHBondContact O-CB 3.37Å; F7-Y11 PolarHBondContact O-N 2.97Å; L9-Y11 PolarHBondContact O-N 3.39Å; Y11-E13 PolarHBondContact O-N 3.1Å; Y11-I14 PolarHBondContact O-N 3.4Å; Y11-A15 WeakPolarHBondContact O-CB 3.4Å; Y11-A15 PolarHBondContact O-N 3.4Å
12R78.9Confident73.6Confident154 Ų154109.4 Ų109.458%0.58157%0.566SS**Hα-helixtrans-65.4-38179-174.6177172.3-179.7-2.9112.2Y8 L9 L10 R16Y8-R12 WeakPolarHBondContact O-CB 3.13Å; Y8-R12 PolarHBondContact O-N 3.13Å; L9-R12 PolarHBondContact O-N 3.39Å; L10-R12 VanDerWaalsContact C-N 3.35Å; L10-R12 PolarHBondContact O-N 2.94Å; R12-R16 VanDerWaalsContact O-CB 3.28Å; R12-R16 WeakPolarHBondContact O-CB 3.46Å; R12-R16 PolarHBondContact O-N 3.05Å
13E77.6Confident75.1Confident138 Ų138110.5 Ų110.565%0.64556%0.556SS**Hα-helixtrans-74.7-38.6179.2-162.9154.7-150.400112.2L9 L10 Y11 R16 S17L9-E13 WeakPolarHBondContact O-CB 3.31Å; L9-E13 PolarHBondContact O-N 2.82Å; L10-E13 PolarHBondContact O-N 2.9Å; Y11-E13 PolarHBondContact O-N 3.1Å; E13-R16 PolarHBondContact O-N 2.81Å; E13-S17 WeakPolarHBondContact O-CB 3.33Å; E13-S17 PolarHBondContact O-N 3.36Å; E13-S17 PolarHBondContact O-OG 3.01Å
14I75.8Confident76.8Confident90 Ų90108.9 Ų108.946%0.46254%0.543SS..Hα-helixtrans-62.5-48.8169.3-68.2168.8000110.3L10 Y11 R16 S17 C18L10-I14 HydrophobicContact CD1-CD1 4.35Å; L10-I14 HydrophobicContact CD2-CD1 4.44Å; L10-I14 HydrophobicContact CG-CD1 3.88Å; L10-I14 WeakPolarHBondContact O-CB 3.45Å; L10-I14 VanDerWaalsContact O-CG1 3.22Å; L10-I14 WeakPolarHBondContact O-CG1 2.96Å; L10-I14 PolarHBondContact O-N 3.39Å; Y11-I14 PolarHBondContact O-N 3.4Å; I14-R16 VanDerWaalsContact C-N 3.31Å; I14-R16 PolarHBondContact O-N 2.94Å; I14-S17 CarbonylContact O-C 3.08Å; I14-S17 PolarHBondContact O-N 3.21Å; I14-S17 VanDerWaalsContact O-N 3.17Å; I14-C18 VanDerWaalsContact O-CB 3.29Å; I14-C18 WeakPolarHBondContact O-CB 2.99Å; I14-C18 PolarHBondContact O-N 3Å; I14-C18 PolarHBondContact O-SG 3.05Å
15A72.6Confident78.6Confident43 Ų43109.4 Ų109.436%0.35554%0.541SS..Hα-helixtrans-60.7-40.1179.500000112.1Y11 C18 N19Y11-A15 WeakPolarHBondContact O-CB 3.4Å; Y11-A15 PolarHBondContact O-N 3.4Å; A15-C18 PolarHBondContact O-N 3.41Å; A15-N19 WeakPolarHBondContact O-CB 3.33Å; A15-N19 PolarHBondContact O-N 3.4Å
16R75Confident80.1Confident206 Ų206107.3 Ų107.378%0.77754%0.539SS*.Hα-helixtrans-67-39.1176.2-164.3177.5179.4178.7-0.9112R12 E13 I14 N19R12-R16 VanDerWaalsContact O-CB 3.28Å; R12-R16 WeakPolarHBondContact O-CB 3.46Å; R12-R16 PolarHBondContact O-N 3.05Å; E13-R16 PolarHBondContact O-N 2.81Å; I14-R16 VanDerWaalsContact C-N 3.31Å; I14-R16 PolarHBondContact O-N 2.94Å; R16-N19 PolarHBondContact O-N 3.12Å
17S74.1Confident81.2Confident72 Ų72109.5 Ų109.550%0.50354%0.544SS..Hα-helixtrans-70.3-32.9174.6-56.70000112.2E13 I14 C20 Y21E13-S17 WeakPolarHBondContact O-CB 3.33Å; E13-S17 PolarHBondContact O-N 3.36Å; E13-S17 PolarHBondContact O-OG 3.01Å; I14-S17 CarbonylContact O-C 3.08Å; I14-S17 PolarHBondContact O-N 3.21Å; I14-S17 VanDerWaalsContact O-N 3.17Å; S17-C20 PolarHBondContact O-SG 3.21Å; S17-Y21 VanDerWaalsContact O-CD2 3.32Å; S17-Y21 WeakPolarHBondContact O-CD2 3.18Å; S17-Y21 WeakPolarHBondContact O-CE2 3.45Å
18C73.1Confident82.2Confident56 Ų56107 Ų10738%0.37854%0.54SS..Hα-helixtrans-79.6-16.5176.4-70.40000113.4I14 A15 C20 Y21 M22I14-C18 VanDerWaalsContact O-CB 3.29Å; I14-C18 WeakPolarHBondContact O-CB 2.99Å; I14-C18 PolarHBondContact O-N 3Å; I14-C18 PolarHBondContact O-SG 3.05Å; A15-C18 PolarHBondContact O-N 3.41Å; C18-C20 VanDerWaalsContact C-N 3.34Å; C18-C20 PolarHBondContact O-N 2.92Å; C18-Y21 WeakPolarHBondContact O-CB 3.26Å; C18-Y21 PolarHBondContact O-N 2.99Å; C18-Y21 VanDerWaalsContact O-N 3.08Å; C18-M22 WeakPolarHBondContact O-CG 3.09Å; C18-M22 PolarHBondContact O-N 3.46Å
19N82Confident83Confident82 Ų82102 Ų10244%0.43953%0.53SS..Hα-helixtrans-62.1-39.3-174.6-166.249.1000112.5A15 R16 Y21 M22 E23A15-N19 WeakPolarHBondContact O-CB 3.33Å; A15-N19 PolarHBondContact O-N 3.4Å; R16-N19 PolarHBondContact O-N 3.12Å; N19-Y21 VanDerWaalsContact C-N 3.31Å; N19-Y21 PolarHBondContact O-N 3.27Å; N19-M22 PolarHBondContact O-N 3.16Å; N19-E23 PolarHBondContact ND2-OE1 3.47Å; N19-E23 WeakPolarHBondContact O-CB 3.47Å; N19-E23 WeakPolarHBondContact O-CG 3.02Å; N19-E23 PolarHBondContact O-N 3.21Å
20C81.6Confident83.7Confident71 Ų7199.5 Ų99.548%0.4853%0.525SS..Hα-helixtrans-65.4-34.2175.462.10000112.6S17 C18 A24S17-C20 PolarHBondContact O-SG 3.21Å; C18-C20 VanDerWaalsContact C-N 3.34Å; C18-C20 PolarHBondContact O-N 2.92Å; C20-A24 VanDerWaalsContact O-CB 3.31Å; C20-A24 WeakPolarHBondContact O-CB 3.24Å; C20-A24 PolarHBondContact O-N 2.96Å
21Y85.1Confident84.6Confident161 Ų161102.3 Ų102.363%0.63153%0.529SS*.Hα-helixtrans-70.5-39.3174.5-62.5-86.6000111.4S17 C18 N19 A24 L25S17-Y21 VanDerWaalsContact O-CD2 3.32Å; S17-Y21 WeakPolarHBondContact O-CD2 3.18Å; S17-Y21 WeakPolarHBondContact O-CE2 3.45Å; C18-Y21 WeakPolarHBondContact O-CB 3.26Å; C18-Y21 PolarHBondContact O-N 2.99Å; C18-Y21 VanDerWaalsContact O-N 3.08Å; N19-Y21 VanDerWaalsContact C-N 3.31Å; N19-Y21 PolarHBondContact O-N 3.27Å; Y21-A24 PolarHBondContact O-N 2.78Å; Y21-L25 WeakPolarHBondContact O-CB 3.45Å; Y21-L25 VanDerWaalsContact O-CG 3.28Å; Y21-L25 WeakPolarHBondContact O-CG 3.38Å; Y21-L25 PolarHBondContact O-N 3.25Å
22M85.8Confident85.4Confident122 Ų122101.5 Ų101.560%0.60153%0.525SS*.Hα-helixtrans-64.4-44.2174.8-70.5-62.9-66.700111.7C18 N19 L25 A26C18-M22 WeakPolarHBondContact O-CG 3.09Å; C18-M22 PolarHBondContact O-N 3.46Å; N19-M22 PolarHBondContact O-N 3.16Å; M22-L25 PolarHBondContact O-N 3.28Å; M22-A26 VanDerWaalsContact O-CB 3.28Å; M22-A26 WeakPolarHBondContact O-CB 3.26Å; M22-A26 PolarHBondContact O-N 3.06Å
23E88.1Confident86.1Confident107 Ų10797.9 Ų97.950%0.552%0.521SS..Hα-helixtrans-62.8-43.5174.9-73.8172.7-168.100111.5N19 A26 L27N19-E23 PolarHBondContact ND2-OE1 3.47Å; N19-E23 WeakPolarHBondContact O-CB 3.47Å; N19-E23 WeakPolarHBondContact O-CG 3.02Å; N19-E23 PolarHBondContact O-N 3.21Å; E23-A26 PolarHBondContact O-N 3.37Å; E23-L27 WeakPolarHBondContact O-CG 3.36Å; E23-L27 PolarHBondContact O-N 3.34Å
24A90.2Very high86.9Confident50 Ų5093.6 Ų93.641%0.41351%0.509SS..Hα-helixtrans-61.8-46.1175.300000112.1C20 Y21 A26 L27 V28C20-A24 VanDerWaalsContact O-CB 3.31Å; C20-A24 WeakPolarHBondContact O-CB 3.24Å; C20-A24 PolarHBondContact O-N 2.96Å; Y21-A24 PolarHBondContact O-N 2.78Å; A24-A26 VanDerWaalsContact C-N 3.33Å; A24-A26 PolarHBondContact O-N 2.79Å; A24-L27 PolarHBondContact O-N 2.83Å; A24-V28 WeakPolarHBondContact O-CG2 3.3Å; A24-V28 PolarHBondContact O-N 3.21Å
25L93Very high87.7Confident120 Ų12096.3 Ų96.363%0.62851%0.513SS*.Hα-helixtrans-63.2-38.6175.7-73.9172000112Y21 M22 V28 G29Y21-L25 WeakPolarHBondContact O-CB 3.45Å; Y21-L25 VanDerWaalsContact O-CG 3.28Å; Y21-L25 WeakPolarHBondContact O-CG 3.38Å; Y21-L25 PolarHBondContact O-N 3.25Å; M22-L25 PolarHBondContact O-N 3.28Å; L25-V28 PolarHBondContact O-N 3.47Å; L25-G29 PolarHBondContact O-N 3.46Å
26A92.4Very high88.5Confident63 Ų6398 Ų9852%0.52151%0.513SS..Hα-helixtrans-64.8-42175.800000111.7M22 E23 A24 G29 A30M22-A26 VanDerWaalsContact O-CB 3.28Å; M22-A26 WeakPolarHBondContact O-CB 3.26Å; M22-A26 PolarHBondContact O-N 3.06Å; E23-A26 PolarHBondContact O-N 3.37Å; A24-A26 VanDerWaalsContact C-N 3.33Å; A24-A26 PolarHBondContact O-N 2.79Å; A26-G29 PolarHBondContact O-N 3.08Å; A26-A30 VanDerWaalsContact O-CB 3.28Å; A26-A30 WeakPolarHBondContact O-CB 3.36Å; A26-A30 PolarHBondContact O-N 3.06Å
27L94Very high89.2Confident128 Ų12891.3 Ų91.367%0.6750%0.497SS*.Hα-helixtrans-65.4-43175.5-72.7172.6000112.1E23 A24 G29 A30 W31E23-L27 WeakPolarHBondContact O-CG 3.36Å; E23-L27 PolarHBondContact O-N 3.34Å; A24-L27 PolarHBondContact O-N 2.83Å; L27-G29 VanDerWaalsContact C-N 3.33Å; L27-A30 PolarHBondContact O-N 2.8Å; L27-W31 WeakPolarHBondContact O-CB 3.23Å; L27-W31 PolarHBondContact O-N 3.16Å
28V94.8Very high90Very high94 Ų9492.9 Ų92.957%0.5750%0.499SS*.Hα-helixtrans-61.7-43.7174.1171.70000110.5A24 L25 W31 Y32A24-V28 WeakPolarHBondContact O-CG2 3.3Å; A24-V28 PolarHBondContact O-N 3.21Å; L25-V28 PolarHBondContact O-N 3.47Å; V28-W31 PolarHBondContact O-N 2.98Å; V28-Y32 WeakPolarHBondContact O-CB 3.5Å; V28-Y32 PolarHBondContact O-N 3.25Å
29G94.8Very high90.7Very high32 Ų3292.6 Ų92.633%0.3350%0.495SS..Hα-helixtrans-60.9-48.1175.400000112.3L25 A26 L27 Y32 T33L25-G29 PolarHBondContact O-N 3.46Å; A26-G29 PolarHBondContact O-N 3.08Å; L27-G29 VanDerWaalsContact C-N 3.33Å; G29-Y32 PolarHBondContact O-N 3.34Å; G29-T33 WeakPolarHBondContact O-CG2 3.47Å; G29-T33 PolarHBondContact O-N 3.04Å; G29-T33 PolarHBondContact O-OG1 2.87Å; G29-T33 VanDerWaalsContact O-OG1 3.06Å
30A94.8Very high90.9Very high52 Ų5292.2 Ų92.243%0.4350%0.496SS..Hα-helixtrans-63.2-41.917800000112.2A26 L27 T33 A34A26-A30 VanDerWaalsContact O-CB 3.28Å; A26-A30 WeakPolarHBondContact O-CB 3.36Å; A26-A30 PolarHBondContact O-N 3.06Å; L27-A30 PolarHBondContact O-N 2.8Å; A30-T33 WeakPolarHBondContact CA-OG1 3.43Å; A30-T33 PolarHBondContact O-OG1 3.06Å; A30-A34 WeakPolarHBondContact O-CB 3.47Å; A30-A34 PolarHBondContact O-N 3.03Å
31W95.4Very high91.2Very high159 Ų15994.3 Ų94.360%0.60250%0.501SS*.Hα-helixtrans-64.2-44.3175176.883.3000111.6L27 V28 R35L27-W31 WeakPolarHBondContact O-CB 3.23Å; L27-W31 PolarHBondContact O-N 3.16Å; V28-W31 PolarHBondContact O-N 2.98Å; W31-R35 VanDerWaalsContact O-CB 3.23Å; W31-R35 WeakPolarHBondContact O-CB 3.34Å; W31-R35 PolarHBondContact O-N 3.01Å
32Y93.8Very high91.3Very high131 Ų13189.8 Ų89.851%0.51449%0.493SS..Hα-helixtrans-63.4-46.2177.4178.1-97.3000111.8V28 G29 R35 K36V28-Y32 WeakPolarHBondContact O-CB 3.5Å; V28-Y32 PolarHBondContact O-N 3.25Å; G29-Y32 PolarHBondContact O-N 3.34Å; Y32-R35 PolarHBondContact O-N 3.34Å; Y32-K36 HydrophobicContact CD1-CG 4.26Å; Y32-K36 HydrophobicContact CD2-CG 4.48Å; Y32-K36 HydrophobicContact CE1-CG 3.87Å; Y32-K36 HydrophobicContact CE2-CG 4.1Å; Y32-K36 VanDerWaalsContact CZ-CE 3.49Å; Y32-K36 WeakPolarHBondContact O-CB 3.48Å; Y32-K36 WeakPolarHBondContact O-CG 3.24Å; Y32-K36 PolarHBondContact O-N 2.75Å; Y32-K36 WeakPolarHBondContact OH-CE 3.25Å
33T93.6Very high91.3Very high79 Ų7985.9 Ų85.949%0.48547%0.474SS..Hα-helixtrans-65.1-45.3178.354.40000111.3G29 A30 R35 K36 S37G29-T33 WeakPolarHBondContact O-CG2 3.47Å; G29-T33 PolarHBondContact O-N 3.04Å; G29-T33 PolarHBondContact O-OG1 2.87Å; G29-T33 VanDerWaalsContact O-OG1 3.06Å; A30-T33 WeakPolarHBondContact CA-OG1 3.43Å; A30-T33 PolarHBondContact O-OG1 3.06Å; T33-R35 PolarHBondContact O-N 2.85Å; T33-K36 PolarHBondContact O-N 3.02Å; T33-S37 WeakPolarHBondContact O-CB 3.49Å; T33-S37 PolarHBondContact O-N 3.22Å; T33-S37 PolarHBondContact O-OG 3.02Å
34A94.1Very high91.1Very high48 Ų4886.7 Ų86.740%0.39748%0.476SS..Hα-helixtrans-58.5-48.1175.400000111.6A30 K36 S37 I38A30-A34 WeakPolarHBondContact O-CB 3.47Å; A30-A34 PolarHBondContact O-N 3.03Å; A34-K36 VanDerWaalsContact C-N 3.34Å; A34-K36 PolarHBondContact O-N 3.22Å; A34-S37 PolarHBondContact O-N 3.41Å; A34-I38 VanDerWaalsContact O-CG1 3.28Å; A34-I38 WeakPolarHBondContact O-CG1 3.15Å; A34-I38 PolarHBondContact O-N 3.05Å
35R93.6Very high91Very high147 Ų14790.8 Ų90.856%0.55548%0.482SS*.Hα-helixtrans-59.3-43176.5179-179.5168.8152.1-0.3112W31 Y32 T33 T39W31-R35 VanDerWaalsContact O-CB 3.23Å; W31-R35 WeakPolarHBondContact O-CB 3.34Å; W31-R35 PolarHBondContact O-N 3.01Å; Y32-R35 PolarHBondContact O-N 3.34Å; T33-R35 PolarHBondContact O-N 2.85Å; R35-T39 PolarHBondContact O-N 3.42Å; R35-T39 PolarHBondContact O-OG1 2.95Å
36K88.6Confident90.6Very high79 Ų7987.9 Ų87.934%0.34347%0.471SS..Hα-helixtrans-67.4-44.1177.8-75.6-63.3-173-179.80111.9Y32 T33 A34 I38 T39 V40Y32-K36 HydrophobicContact CD1-CG 4.26Å; Y32-K36 HydrophobicContact CD2-CG 4.48Å; Y32-K36 HydrophobicContact CE1-CG 3.87Å; Y32-K36 HydrophobicContact CE2-CG 4.1Å; Y32-K36 VanDerWaalsContact CZ-CE 3.49Å; Y32-K36 WeakPolarHBondContact O-CB 3.48Å; Y32-K36 WeakPolarHBondContact O-CG 3.24Å; Y32-K36 PolarHBondContact O-N 2.75Å; Y32-K36 WeakPolarHBondContact OH-CE 3.25Å; T33-K36 PolarHBondContact O-N 3.02Å; A34-K36 VanDerWaalsContact C-N 3.34Å; A34-K36 PolarHBondContact O-N 3.22Å; K36-I38 PolarHBondContact O-N 3.37Å; K36-T39 WeakPolarHBondContact O-CB 3.45Å; K36-T39 PolarHBondContact O-N 2.91Å; K36-T39 VanDerWaalsContact O-N 3.17Å; K36-V40 WeakPolarHBondContact O-CG2 3.48Å; K36-V40 PolarHBondContact O-N 2.86Å
37S89.6Confident90.3Very high65 Ų6586 Ų8646%0.45545%0.453SS..Hα-helixtrans-58.6-46.4175.3-64.30000111.7T33 A34 T39 V40 I41T33-S37 WeakPolarHBondContact O-CB 3.49Å; T33-S37 PolarHBondContact O-N 3.22Å; T33-S37 PolarHBondContact O-OG 3.02Å; A34-S37 PolarHBondContact O-N 3.41Å; S37-T39 VanDerWaalsContact C-N 3.32Å; S37-T39 PolarHBondContact O-N 3.35Å; S37-V40 PolarHBondContact O-N 2.98Å; S37-I41 WeakPolarHBondContact O-CB 3.49Å; S37-I41 WeakPolarHBondContact O-CD1 3.16Å; S37-I41 VanDerWaalsContact O-CG1 3.23Å; S37-I41 WeakPolarHBondContact O-CG1 3.35Å; S37-I41 PolarHBondContact O-N 3.23Å
38I91.9Very high89.9Confident104 Ų10483.3 Ų83.353%0.53344%0.438SS..Hα-helixtrans-58.8-45.3175.3-69.2165.5000110.5A34 K36 V40 I41 C42A34-I38 VanDerWaalsContact O-CG1 3.28Å; A34-I38 WeakPolarHBondContact O-CG1 3.15Å; A34-I38 PolarHBondContact O-N 3.05Å; K36-I38 PolarHBondContact O-N 3.37Å; I38-V40 PolarHBondContact O-N 3.22Å; I38-I41 PolarHBondContact O-N 3.25Å; I38-C42 WeakPolarHBondContact O-CB 3.48Å; I38-C42 PolarHBondContact O-N 3.33Å; I38-C42 PolarHBondContact O-SG 3.29Å
39T87.6Confident89.6Confident50 Ų5085.5 Ų85.531%0.30744%0.436SS..Hα-helixtrans-60-48.2179.2-50.50000111.1R35 K36 S37 I41 C42 D43 Y304R35-T39 PolarHBondContact O-N 3.42Å; R35-T39 PolarHBondContact O-OG1 2.95Å; K36-T39 WeakPolarHBondContact O-CB 3.45Å; K36-T39 PolarHBondContact O-N 2.91Å; K36-T39 VanDerWaalsContact O-N 3.17Å; S37-T39 VanDerWaalsContact C-N 3.32Å; S37-T39 PolarHBondContact O-N 3.35Å; T39-I41 VanDerWaalsContact C-N 3.34Å; T39-I41 PolarHBondContact O-N 2.94Å; T39-C42 PolarHBondContact O-N 3.23Å; T39-D43 WeakPolarHBondContact O-CB 3.49Å; T39-D43 VanDerWaalsContact O-CG 3.24Å; T39-D43 PolarHBondContact O-N 2.99Å; T39-Y304 WeakPolarHBondContact CG2-OH 3.47Å
40V85.7Confident89.2Confident74 Ų7484.9 Ų84.945%0.44843%0.425SS..Hα-helixtrans-61.9-41178.6171.60000111.6K36 S37 I38 D43 F44 Y304K36-V40 WeakPolarHBondContact O-CG2 3.48Å; K36-V40 PolarHBondContact O-N 2.86Å; S37-V40 PolarHBondContact O-N 2.98Å; I38-V40 PolarHBondContact O-N 3.22Å; V40-D43 PolarHBondContact O-N 3.18Å; V40-F44 WeakPolarHBondContact O-CB 3.04Å; V40-F44 PolarHBondContact O-N 3.15Å; V40-Y304 HydrophobicContact CG2-CE2 4.45Å
41I88.7Confident88.8Confident115 Ų11582.5 Ų82.559%0.5941%0.405SS*.Hα-helixtrans-63.5-46.1176.1-69.2164.9000110.5S37 I38 T39 D43 F44 Y45S37-I41 WeakPolarHBondContact O-CB 3.49Å; S37-I41 WeakPolarHBondContact O-CD1 3.16Å; S37-I41 VanDerWaalsContact O-CG1 3.23Å; S37-I41 WeakPolarHBondContact O-CG1 3.35Å; S37-I41 PolarHBondContact O-N 3.23Å; I38-I41 PolarHBondContact O-N 3.25Å; T39-I41 VanDerWaalsContact C-N 3.34Å; T39-I41 PolarHBondContact O-N 2.94Å; I41-D43 VanDerWaalsContact C-N 3.34Å; I41-D43 PolarHBondContact O-N 2.78Å; I41-F44 PolarHBondContact O-N 2.82Å; I41-Y45 WeakPolarHBondContact O-CB 3.28Å; I41-Y45 PolarHBondContact O-N 2.89Å
42C87.4Confident88.3Confident67 Ų6779.9 Ų79.945%0.45340%0.398SS..Hα-helixtrans-62.8-39.3176.8-710000112.3I38 T39 S46I38-C42 WeakPolarHBondContact O-CB 3.48Å; I38-C42 PolarHBondContact O-N 3.33Å; I38-C42 PolarHBondContact O-SG 3.29Å; T39-C42 PolarHBondContact O-N 3.23Å; C42-S46 WeakPolarHBondContact O-CB 3.29Å; C42-S46 PolarHBondContact O-N 3.16Å; C42-S46 PolarHBondContact O-OG 3.22Å
43D84.8Confident87.7Confident39 Ų3977.5 Ų77.521%0.20939%0.394CS..Hα-helixtrans-63.1-47.8175.4-74.4-20.6000110.6T39 V40 I41 S46 L47 L300 Y304T39-D43 WeakPolarHBondContact O-CB 3.49Å; T39-D43 VanDerWaalsContact O-CG 3.24Å; T39-D43 PolarHBondContact O-N 2.99Å; V40-D43 PolarHBondContact O-N 3.18Å; I41-D43 VanDerWaalsContact C-N 3.34Å; I41-D43 PolarHBondContact O-N 2.78Å; D43-S46 WeakPolarHBondContact O-CA 3.39Å; D43-S46 WeakPolarHBondContact O-CB 3.48Å; D43-S46 PolarHBondContact O-N 3.23Å; D43-S46 VanDerWaalsContact O-N 3.12Å; D43-L47 WeakPolarHBondContact O-CG 3.24Å; D43-L47 PolarHBondContact O-N 2.89Å; D43-L300 HydrophobicContact CB-CD1 4.39Å; D43-L300 HydrophobicContact CB-CD2 3.75Å; D43-Y304 PolarHBondContact OD2-OH 2.96Å
44F85.1Confident87Confident125 Ų12575.6 Ų75.655%0.54838%0.383SS..Hα-helixtrans-64.2-42.5178.5-167.1-103.1000112.2V40 I41 S46 L47 I48V40-F44 WeakPolarHBondContact O-CB 3.04Å; V40-F44 PolarHBondContact O-N 3.15Å; I41-F44 PolarHBondContact O-N 2.82Å; F44-S46 VanDerWaalsContact C-N 3.29Å; F44-S46 PolarHBondContact O-N 2.9Å; F44-L47 WeakPolarHBondContact O-CB 3.44Å; F44-L47 PolarHBondContact O-N 3.47Å; F44-L47 VanDerWaalsContact O-N 3.16Å; F44-I48 HydrophobicContact CD1-CD1 3.85Å; F44-I48 HydrophobicContact CE1-CD1 3.6Å; F44-I48 HydrophobicContact CE1-CG1 4.33Å; F44-I48 HydrophobicContact CZ-CD1 4.43Å; F44-I48 PolarHBondContact O-N 3.34Å; F44-I48 VanDerWaalsContact O-N 3.08Å
45Y87.1Confident86.2Confident135 Ų13578.2 Ų78.253%0.52938%0.382SS..Hα-helixtrans-59.6-41.6171.6174.9-99.2000111.4I41 L47 I48 R49I41-Y45 WeakPolarHBondContact O-CB 3.28Å; I41-Y45 PolarHBondContact O-N 2.89Å; Y45-L47 VanDerWaalsContact C-N 3.28Å; Y45-L47 PolarHBondContact O-N 2.86Å; Y45-I48 PolarHBondContact O-N 2.74Å; Y45-R49 HydrophobicContact CE1-CB 4.28Å; Y45-R49 VanDerWaalsContact O-CB 3.26Å; Y45-R49 WeakPolarHBondContact O-CB 3.36Å; Y45-R49 PolarHBondContact O-N 2.87Å
46S84.6Confident85.4Confident59 Ų5978.7 Ų78.741%0.41340%0.395SS..Hα-helixtrans-62.9-35176.6-61.30000112C42 D43 F44 L50C42-S46 WeakPolarHBondContact O-CB 3.29Å; C42-S46 PolarHBondContact O-N 3.16Å; C42-S46 PolarHBondContact O-OG 3.22Å; D43-S46 WeakPolarHBondContact O-CA 3.39Å; D43-S46 WeakPolarHBondContact O-CB 3.48Å; D43-S46 PolarHBondContact O-N 3.23Å; D43-S46 VanDerWaalsContact O-N 3.12Å; F44-S46 VanDerWaalsContact C-N 3.29Å; F44-S46 PolarHBondContact O-N 2.9Å; S46-L50 WeakPolarHBondContact O-CB 3.33Å; S46-L50 PolarHBondContact O-N 3.21Å
47L85.7Confident84.5Confident25 Ų2577.3 Ų77.313%0.13140%0.403CS..Hα-helixtrans-63.3-49172.4-64.1-169.2000112.1D43 F44 Y45 R49 L50 H51 I297 L300D43-L47 WeakPolarHBondContact O-CG 3.24Å; D43-L47 PolarHBondContact O-N 2.89Å; F44-L47 WeakPolarHBondContact O-CB 3.44Å; F44-L47 PolarHBondContact O-N 3.47Å; F44-L47 VanDerWaalsContact O-N 3.16Å; Y45-L47 VanDerWaalsContact C-N 3.28Å; Y45-L47 PolarHBondContact O-N 2.86Å; L47-R49 VanDerWaalsContact C-N 3.33Å; L47-L50 PolarHBondContact O-N 3.21Å; L47-H51 PolarHBondContact O-N 2.76Å; L47-I297 HydrophobicContact CD1-CG1 4.35Å; L47-L300 HydrophobicContact CD1-CD1 3.5Å; L47-L300 VanDerWaalsContact CD1-CD1 3.5Å; L47-L300 HydrophobicContact CD1-CG 4.38Å; L47-L300 HydrophobicContact CG-CD1 4.14Å
48I86.5Confident83.7Confident71 Ų7180 Ų8036%0.36442%0.422SS..Hα-helixtrans-60-49.2178.1-65.5172.1000109.5F44 Y45 L50 F52 I53F44-I48 HydrophobicContact CD1-CD1 3.85Å; F44-I48 HydrophobicContact CE1-CD1 3.6Å; F44-I48 HydrophobicContact CE1-CG1 4.33Å; F44-I48 HydrophobicContact CZ-CD1 4.43Å; F44-I48 PolarHBondContact O-N 3.34Å; F44-I48 VanDerWaalsContact O-N 3.08Å; Y45-I48 PolarHBondContact O-N 2.74Å; I48-L50 VanDerWaalsContact C-N 3.31Å; I48-L50 PolarHBondContact O-N 2.81Å; I48-F52 HydrophobicContact CG2-CB 4.47Å; I48-F52 WeakPolarHBondContact O-CA 3.24Å; I48-F52 WeakPolarHBondContact O-CB 3.37Å; I48-F52 PolarHBondContact O-N 2.81Å; I48-I53 PolarHBondContact O-N 3.42Å
49R87.6Confident83.1Confident139 Ų13982.2 Ų82.253%0.52542%0.424SS..Hα-helixtrans-60.8-36.8179.2176.7-179.9167.6-158-3.4112.9Y45 L47 I53 P54Y45-R49 HydrophobicContact CE1-CB 4.28Å; Y45-R49 VanDerWaalsContact O-CB 3.26Å; Y45-R49 WeakPolarHBondContact O-CB 3.36Å; Y45-R49 PolarHBondContact O-N 2.87Å; L47-R49 VanDerWaalsContact C-N 3.33Å; R49-I53 HydrophobicContact CB-CD1 4.03Å; R49-I53 HydrophobicContact CG-CD1 4.13Å; R49-P54 VanDerWaalsContact O-CD 3.24Å; R49-P54 WeakPolarHBondContact O-CD 3.49Å
50L87.6Confident82.9Confident20 Ų2081.7 Ų81.711%0.10543%0.425CS..Hα-helixtrans-81.9-39.5-176.2-176.758.7000112.7S46 L47 I48 P54 T282 I285 T289S46-L50 WeakPolarHBondContact O-CB 3.33Å; S46-L50 PolarHBondContact O-N 3.21Å; L47-L50 PolarHBondContact O-N 3.21Å; I48-L50 VanDerWaalsContact C-N 3.31Å; I48-L50 PolarHBondContact O-N 2.81Å; L50-P54 WeakPolarHBondContact O-CD 3.46Å; L50-P54 WeakPolarHBondContact O-CG 3.3Å; L50-T282 HydrophobicContact CD1-CG2 4.1Å; L50-T282 HydrophobicContact CG-CG2 4.12Å; L50-I285 HydrophobicContact CD1-CB 4.13Å; L50-I285 HydrophobicContact CD1-CG2 3.63Å; L50-T289 VanDerWaalsContact CD2-OG1 3.3Å; L50-T289 WeakPolarHBondContact CD2-OG1 3.38Å
51H86.8Confident83.1Confident1 Ų182.3 Ų82.31%0.00543%0.426CS..Hα-helixtrans-100.8-23.9-170.6-71.3-72.5000114.1L47 R55 W293 S296L47-H51 PolarHBondContact O-N 2.76Å; H51-R55 PolarHBondContact O-NE 2.83Å; H51-R55 VanDerWaalsContact O-NE 3.12Å; H51-R55 PolarHBondContact O-NH2 3.08Å; H51-W293 HydrophobicContact CB-CB 3.92Å; H51-S296 PolarHBondContact NE2-OG 3.35Å
52F84.3Confident83.4Confident104 Ų10477 Ų7746%0.45640%0.398SS..THydrogen-bonded Turntrans-110-43.9-173.3-62.4-97.8000112.4I48 R55I48-F52 HydrophobicContact CG2-CB 4.47Å; I48-F52 WeakPolarHBondContact O-CA 3.24Å; I48-F52 WeakPolarHBondContact O-CB 3.37Å; I48-F52 PolarHBondContact O-N 2.81Å; F52-R55 WeakPolarHBondContact O-CB 3.14Å; F52-R55 PolarHBondContact O-N 3.23Å
53I81Confident83.8Confident82 Ų8276.4 Ų76.442%0.42139%0.39SS..G310 helixtrans-61.8-44.1-178.3-60.3-175.6000113.3I48 R49 R55 L56I48-I53 PolarHBondContact O-N 3.42Å; R49-I53 HydrophobicContact CB-CD1 4.03Å; R49-I53 HydrophobicContact CG-CD1 4.13Å; I53-R55 PolarHBondContact O-N 3.39Å; I53-L56 PolarHBondContact O-N 2.81Å
54P78.6Confident84.2Confident39 Ų3982.3 Ų82.325%0.25341%0.414SS..G310 helixtrans-65.5-14.2-178.4-23.737.4000113.4R49 L50 I285R49-P54 VanDerWaalsContact O-CD 3.24Å; R49-P54 WeakPolarHBondContact O-CD 3.49Å; L50-P54 WeakPolarHBondContact O-CD 3.46Å; L50-P54 WeakPolarHBondContact O-CG 3.3Å; P54-I285 HydrophobicContact CB-CD1 3.73Å; P54-I285 HydrophobicContact CG-CD1 3.61Å
55R76.7Confident84.6Confident103 Ų10380.4 Ų80.439%0.38941%0.406SS..G310 helixtrans-85.6-16.4176.7-58.4-168.6-170.9138.225.5113.6H51 F52 I53 G57 H278H51-R55 PolarHBondContact O-NE 2.83Å; H51-R55 VanDerWaalsContact O-NE 3.12Å; H51-R55 PolarHBondContact O-NH2 3.08Å; F52-R55 WeakPolarHBondContact O-CB 3.14Å; F52-R55 PolarHBondContact O-N 3.23Å; I53-R55 PolarHBondContact O-N 3.39Å; R55-G57 VanDerWaalsContact C-N 3.35Å; R55-H278 PolarHBondContact NH2-CE1 3.32Å; R55-H278 PolarHBondContact NH2-ND1 3.16Å
56L76.6Confident85.1Confident156 Ų15674.9 Ų74.982%0.81739%0.385SS*.THydrogen-bonded Turntrans-83.4-16.2177-62.6173000112I53I53-L56 PolarHBondContact O-N 2.81Å
57G70.6Confident85.6Confident50 Ų5072.1 Ų72.152%0.51537%0.365SS..SBendtrans-103176178.900000113.9R55R55-G57 VanDerWaalsContact C-N 3.35Å
58S72.3Confident86.2Confident122 Ų12277.6 Ų77.685%0.85338%0.384SS*.PPolyproline II helixtrans-64.1144.8170.9-173.70000110.9
59R79.5Confident86.8Confident150 Ų15075 Ų7557%0.56637%0.37SS*.PPolyproline II helixtrans-62.1138176.4-67-176.4-179-1740.6109.7D61R59-D61 PolarHBondContact O-N 3.35Å
60A82.9Confident87.3Confident40 Ų4068.3 Ų68.333%0.33135%0.345SS..PPolyproline II helixtrans-60.5131.5173.700000110.8L62A60-L62 HydrophobicContact CB-CD2 4.39Å; A60-L62 PolarHBondContact O-N 2.86Å
61D91.2Very high87.8Confident87 Ų8767.4 Ų67.447%0.46534%0.34SS..  trans-74.792.9170.9-178-14.2000109.4R59 I63 K64 Q65R59-D61 PolarHBondContact O-N 3.35Å; D61-I63 VanDerWaalsContact C-N 3.27Å; D61-I63 PolarHBondContact O-N 2.98Å; D61-I63 PolarHBondContact OD1-N 2.69Å; D61-I63 VanDerWaalsContact OD1-N 3.12Å; D61-K64 HydrophobicContact CB-CB 4.08Å; D61-K64 VanDerWaalsContact CG-CB 3.44Å; D61-K64 PolarHBondContact O-N 3.17Å; D61-K64 PolarHBondContact OD1-N 3.03Å; D61-K64 WeakPolarHBondContact OD2-CB 3.3Å; D61-Q65 WeakPolarHBondContact O-CB 3.35Å; D61-Q65 VanDerWaalsContact O-CG 3.31Å; D61-Q65 WeakPolarHBondContact O-CG 3.36Å; D61-Q65 PolarHBondContact O-N 3.49Å
62L94.6Very high88.4Confident2 Ų267.3 Ų67.31%0.0134%0.34CS..Hα-helixtrans-65.9-28.8-177.8-64.8-173.2000112.6A60 Q65 Y66 L87 R90 L92 I147 V280 L283A60-L62 HydrophobicContact CB-CD2 4.39Å; A60-L62 PolarHBondContact O-N 2.86Å; L62-Q65 PolarHBondContact O-N 3.21Å; L62-Y66 HydrophobicContact CD2-CD2 4.05Å; L62-Y66 HydrophobicContact CD2-CE2 3.87Å; L62-Y66 PolarHBondContact O-N 2.89Å; L62-L87 HydrophobicContact CD1-CD2 3.8Å; L62-R90 HydrophobicContact CD1-CB 4.44Å; L62-L92 HydrophobicContact CB-CD1 3.81Å; L62-L92 HydrophobicContact CD1-CD1 4.01Å; L62-I147 HydrophobicContact CB-CD1 4.46Å; L62-I147 HydrophobicContact CD1-CD1 4.36Å; L62-V280 HydrophobicContact CD1-CG1 3.96Å; L62-L283 HydrophobicContact CD1-CD2 4.46Å; L62-L283 HydrophobicContact CD2-CD2 4.33Å
63I95.1Very high89Confident56 Ų5662.4 Ų62.429%0.28732%0.318SS..Hα-helixtrans-68.5-48.5178.2-59.7171.1000109.1D61 Q65 G67 R68 G91 L92 K197D61-I63 VanDerWaalsContact C-N 3.27Å; D61-I63 PolarHBondContact O-N 2.98Å; D61-I63 PolarHBondContact OD1-N 2.69Å; D61-I63 VanDerWaalsContact OD1-N 3.12Å; I63-Q65 VanDerWaalsContact C-N 3.28Å; I63-Q65 PolarHBondContact O-N 3.32Å; I63-G67 WeakPolarHBondContact CA-O 3.19Å; I63-G67 PolarHBondContact O-N 3.49Å; I63-G67 VanDerWaalsContact O-N 3.1Å; I63-R68 HydrophobicContact CG2-CG 3.89Å; I63-G91 WeakPolarHBondContact CD1-O 3.48Å; I63-L92 HydrophobicContact CG1-CG 4.18Å; I63-K197 PolarHBondContact O-NZ 3.44Å
64K93.6Very high89.7Confident163 Ų16359.2 Ų59.271%0.70931%0.305SS*.Hα-helixtrans-64-33.6175.8-172.7176-179.5178.60112.2D61 K197D61-K64 HydrophobicContact CB-CB 4.08Å; D61-K64 VanDerWaalsContact CG-CB 3.44Å; D61-K64 PolarHBondContact O-N 3.17Å; D61-K64 PolarHBondContact OD1-N 3.03Å; D61-K64 WeakPolarHBondContact OD2-CB 3.3Å; K64-K197 WeakPolarHBondContact O-CE 3.37Å; K64-K197 PolarHBondContact O-NZ 3.43Å
65Q94.4Very high90.4Very high84 Ų8457.3 Ų57.339%0.39329%0.293SS..Hα-helixtrans-80.8-39.9-179.2-74-177.615.500114.6D61 L62 I63 K197D61-Q65 WeakPolarHBondContact O-CB 3.35Å; D61-Q65 VanDerWaalsContact O-CG 3.31Å; D61-Q65 WeakPolarHBondContact O-CG 3.36Å; D61-Q65 PolarHBondContact O-N 3.49Å; L62-Q65 PolarHBondContact O-N 3.21Å; I63-Q65 VanDerWaalsContact C-N 3.28Å; I63-Q65 PolarHBondContact O-N 3.32Å; Q65-K197 WeakPolarHBondContact O-CE 3.27Å; Q65-K197 WeakPolarHBondContact O-CG 3.43Å
66Y97.1Very high91.2Very high20 Ų2053.6 Ų53.68%0.07828%0.282CS..THydrogen-bonded Turntrans-123.9-35.9-169.1-57.2-57.9000114.6L62 G146 I147 K197 A199 F242 L283 G284L62-Y66 HydrophobicContact CD2-CD2 4.05Å; L62-Y66 HydrophobicContact CD2-CE2 3.87Å; L62-Y66 PolarHBondContact O-N 2.89Å; Y66-G146 VanDerWaalsContact C-CA 3.45Å; Y66-G146 WeakPolarHBondContact O-CA 3.47Å; Y66-I147 HydrophobicContact CD2-CD1 4.11Å; Y66-I147 HydrophobicContact CD2-CG1 4.36Å; Y66-I147 HydrophobicContact CG-CG1 4.33Å; Y66-K197 VanDerWaalsContact C-CE 3.4Å; Y66-A199 HydrophobicContact CD1-CB 3.64Å; Y66-A199 HydrophobicContact CD2-CB 4.14Å; Y66-A199 HydrophobicContact CE1-CB 3.87Å; Y66-A199 HydrophobicContact CE2-CB 4.35Å; Y66-A199 HydrophobicContact CG-CB 3.78Å; Y66-F242 HydrophobicContact CE1-CB 3.92Å; Y66-L283 HydrophobicContact CE2-CD2 4.49Å; Y66-L283 HydrophobicContact CE2-CG 4.28Å; Y66-G284 WeakPolarHBondContact OH-CA 3.18Å
67G95.9Very high91.9Very high0 Ų050 Ų500%026%0.263CS..  trans139.9174.1179.600000111.7I63 D144I63-G67 WeakPolarHBondContact CA-O 3.19Å; I63-G67 PolarHBondContact O-N 3.49Å; I63-G67 VanDerWaalsContact O-N 3.1Å; G67-D144 WeakPolarHBondContact CA-OD2 3.32Å
68R97Very high93Very high140 Ų14048 Ų4853%0.52824%0.244SC..SBendtrans-77.7-33.5-171.3-68.6-177.668.3-178.2-2.7114.4I63 N93 D144I63-R68 HydrophobicContact CG2-CG 3.89Å; R68-N93 PolarHBondContact O-N 3.19Å; R68-D144 PolarHBondContact N-OD2 3.45Å
69W98.5Very high94.1Very high16 Ų1643.2 Ų43.26%0.06121%0.208CC..EExtended strand (participates in β ladder)trans-106.2139.7-174.1-72.788.2000112.6N93 I95 E118 D120 D144 I145 G146 I147W69-N93 CarbonylContact C-O 3.6Å; W69-N93 WeakPolarHBondContact CA-O 3.33Å; W69-N93 HydrophobicContact CD2-CB 3.39Å; W69-N93 HydrophobicContact CE3-CB 3.33Å; W69-N93 HydrophobicContact CG-CB 4.05Å; W69-N93 HydrophobicContact CH2-CB 3.82Å; W69-N93 HydrophobicContact CZ2-CB 3.82Å; W69-N93 HydrophobicContact CZ3-CB 3.58Å; W69-I95 HydrophobicContact CD2-CD1 4.41Å; W69-I95 HydrophobicContact CD2-CG1 4.31Å; W69-I95 HydrophobicContact CE3-CD1 3.91Å; W69-I95 HydrophobicContact CE3-CG1 3.37Å; W69-I95 HydrophobicContact CZ3-CD1 4.35Å; W69-I95 HydrophobicContact CZ3-CG1 3.66Å; W69-E118 HydrophobicContact CH2-CB 3.7Å; W69-E118 HydrophobicContact CZ2-CB 4.04Å; W69-E118 WeakPolarHBondContact CZ2-OE2 3.19Å; W69-D120 HydrophobicContact CH2-CB 4.45Å; W69-D120 HydrophobicContact CZ3-CB 4.19Å; W69-D144 WeakPolarHBondContact CB-O 3.12Å; W69-D144 PolarHBondContact N-O 2.91Å; W69-I145 HydrophobicContact CB-CD1 3.77Å; W69-G146 PolarHBondContact O-N 3.01Å; W69-I147 PolarHBondContact O-N 2.8Å; W69-I147 VanDerWaalsContact O-N 3.16Å
70A98.8Very high95Very high0 Ų036.1 Ų36.10%018%0.181CC..EExtended strand (participates in β ladder)trans-115132.4168.200000111L87 L92 N93 I94 I95 I147A70-L87 HydrophobicContact CB-CD1 3.73Å; A70-L92 HydrophobicContact CB-CD2 3.98Å; A70-N93 PolarHBondContact N-O 2.89Å; A70-I94 HydrophobicContact CB-CD1 4.01Å; A70-I94 CarbonylContact O-C 3.56Å; A70-I94 WeakPolarHBondContact O-CA 3.5Å; A70-I95 PolarHBondContact O-N 2.92Å; A70-I147 CarbonylContact C-O 3.48Å; A70-I147 VanDerWaalsContact CA-O 3.24Å; A70-I147 WeakPolarHBondContact CA-O 3.36Å; A70-I147 HydrophobicContact CB-CB 3.96Å
71V98.8Very high95.7Very high0 Ų036.8 Ų36.80%018%0.177CC..EExtended strand (participates in β ladder)trans-100126.1172.7-1790000108.6I95 I97 L140 I145 I147 L148 V149 M184V71-I95 WeakPolarHBondContact CA-O 3.42Å; V71-I95 HydrophobicContact CG2-CB 4.16Å; V71-I95 HydrophobicContact CG2-CD1 4.31Å; V71-I97 HydrophobicContact CG1-CD1 3.55Å; V71-I97 HydrophobicContact CG1-CG1 3.98Å; V71-L140 HydrophobicContact CG2-CD1 4.2Å; V71-L140 HydrophobicContact CG2-CD2 3.75Å; V71-I145 HydrophobicContact CG2-CD1 3.8Å; V71-I145 HydrophobicContact CG2-CG1 4.28Å; V71-I145 HydrophobicContact CG2-CG2 3.74Å; V71-I147 PolarHBondContact N-O 3.1Å; V71-L148 HydrophobicContact CB-CD1 4.01Å; V71-L148 HydrophobicContact CG1-CD1 4Å; V71-L148 CarbonylContact O-C 3.57Å; V71-V149 PolarHBondContact O-N 3.33Å; V71-M184 HydrophobicContact CG1-CE 4.03Å
72V98.8Very high96Very high0 Ų032.9 Ų32.90%016%0.156CC..EExtended strand (participates in β ladder)trans-123.5120.8179.4-172.60000110.1A75 A84 L87 I94 I95 I97 V149V72-A75 HydrophobicContact CB-CB 3.99Å; V72-A75 HydrophobicContact CG1-CB 3.84Å; V72-A75 WeakPolarHBondContact O-CB 3.49Å; V72-A84 HydrophobicContact CB-CB 4.35Å; V72-A84 HydrophobicContact CG1-CB 4.38Å; V72-A84 HydrophobicContact CG2-CB 4.06Å; V72-L87 HydrophobicContact CG2-CD1 4.39Å; V72-I94 HydrophobicContact CG2-CG2 4.44Å; V72-I95 PolarHBondContact N-O 2.93Å; V72-I97 PolarHBondContact O-N 2.87Å; V72-V149 HydrophobicContact CB-CB 4.38Å; V72-V149 HydrophobicContact CG1-CB 4.11Å; V72-V149 HydrophobicContact CG1-CG1 4.3Å; V72-V149 HydrophobicContact CG2-CB 4.11Å; V72-V149 HydrophobicContact CG2-CG2 4.1Å
73S97.8Very high96.2Very high0 Ų032.8 Ų32.80%016%0.156CC..EExtended strand (participates in β ladder)trans-90.7143.7175.759.20000111.9A75 I97 V149 N150 N151 V152S73-A75 VanDerWaalsContact C-N 3.32Å; S73-I97 CarbonylContact C-O 3.28Å; S73-V149 PolarHBondContact N-O 2.7Å; S73-V149 PolarHBondContact OG-O 3Å; S73-N150 WeakPolarHBondContact OG-CA 3.31Å; S73-N151 VanDerWaalsContact O-CB 3.29Å; S73-N151 WeakPolarHBondContact O-CB 3.21Å; S73-N151 PolarHBondContact O-ND2 2.84Å; S73-N151 PolarHBondContact OG-N 3.35Å; S73-V152 PolarHBondContact O-N 3.07Å; S73-V152 PolarHBondContact OG-N 3.12Å
74G95.2Very high96.4Very high15 Ų1530.1 Ų30.116%0.15514%0.142CC..THydrogen-bonded Turntrans63.938.8-17400000112.2T76 I97 N151G74-T76 VanDerWaalsContact C-N 3.34Å; G74-T76 PolarHBondContact O-N 3.17Å; G74-I97 PolarHBondContact N-O 2.6Å; G74-N151 PolarHBondContact O-ND2 2.87Å; G74-N151 VanDerWaalsContact O-ND2 3.16Å
75A93.5Very high96.6Very high0 Ų023.4 Ų23.40%011%0.113CC..THydrogen-bonded Turntrans-863.6-167.400000115.3V72 S73 K81 L96 I97V72-A75 HydrophobicContact CB-CB 3.99Å; V72-A75 HydrophobicContact CG1-CB 3.84Å; V72-A75 WeakPolarHBondContact O-CB 3.49Å; S73-A75 VanDerWaalsContact C-N 3.32Å; A75-K81 VanDerWaalsContact O-CA 3.28Å; A75-K81 WeakPolarHBondContact O-CA 3.41Å; A75-K81 WeakPolarHBondContact O-CB 3.42Å; A75-L96 HydrophobicContact CB-CB 3.94Å; A75-L96 HydrophobicContact CB-CD2 3.79Å; A75-L96 HydrophobicContact CB-CG 4.06Å; A75-I97 PolarHBondContact N-O 3.14Å
76T92.1Very high96.8Very high25 Ų2520.4 Ų20.415%0.15310%0.099CC..THydrogen-bonded Turntrans-86.4-13.6-176.146.50000114.3G74 S98 K103 L104G74-T76 VanDerWaalsContact C-N 3.34Å; G74-T76 PolarHBondContact O-N 3.17Å; T76-S98 VanDerWaalsContact CG2-CB 3.48Å; T76-S98 PolarHBondContact OG1-OG 3.36Å; T76-K103 HydrophobicContact CG2-CB 3.85Å; T76-L104 HydrophobicContact CG2-CB 4.36Å; T76-L104 HydrophobicContact CG2-CD2 3.73Å; T76-L104 HydrophobicContact CG2-CG 3.65Å
77D91.8Very high96.9Very high79 Ų7919.4 Ų19.442%0.42210%0.096SC..SBendtrans-157.3171.4-179.1-161.44.5000112G80 K81 S254D77-G80 PolarHBondContact O-N 3.36Å; D77-K81 PolarHBondContact O-N 2.9Å; D77-S254 WeakPolarHBondContact OD2-CB 3.49Å; D77-S254 PolarHBondContact OD2-OG 2.89Å
78G94Very high97Very high10 Ų1019.5 Ų19.510%0.10310%0.096CC..Hα-helixtrans58.3-138169.100000113.8G80 A82 P272G78-G80 VanDerWaalsContact C-N 3.33Å; G78-G80 PolarHBondContact O-N 2.82Å; G78-A82 PolarHBondContact O-N 2.98Å; G78-P272 WeakPolarHBondContact O-CB 3.49Å
79I96.4Very high97Very high21 Ų2114.9 Ų14.911%0.1089%0.085CC..Hα-helixtrans-61.7-42.2-178.4-64.5171.8000110.6A82 Y83 P248 V251 T253 Y275I79-A82 PolarHBondContact O-N 3.33Å; I79-Y83 VanDerWaalsContact O-CB 3.24Å; I79-Y83 WeakPolarHBondContact O-CB 3.48Å; I79-Y83 PolarHBondContact O-N 2.68Å; I79-P248 HydrophobicContact CD1-CG 4.48Å; I79-V251 HydrophobicContact CD1-CB 4.08Å; I79-V251 HydrophobicContact CD1-CG1 4.36Å; I79-V251 HydrophobicContact CD1-CG2 3.93Å; I79-V251 HydrophobicContact CG1-CB 4.29Å; I79-V251 HydrophobicContact CG1-CG1 4.02Å; I79-V251 HydrophobicContact CG1-CG2 4.43Å; I79-T253 HydrophobicContact CG1-CG2 4.15Å; I79-Y275 HydrophobicContact CD1-CD1 4.31Å; I79-Y275 HydrophobicContact CD1-CE1 4.2Å; I79-Y275 HydrophobicContact CG1-CD1 4.13Å; I79-Y275 HydrophobicContact CG1-CE1 4.41Å; I79-Y275 HydrophobicContact CG2-CD1 3.96Å; I79-Y275 HydrophobicContact CG2-CE1 3.8Å
80G97.3Very high96.9Very high0 Ų016.1 Ų16.10%09%0.09CC..Hα-helixtrans-60.1-50.2-177.800000112.9D77 G78 Y83 A84 N151D77-G80 PolarHBondContact O-N 3.36Å; G78-G80 VanDerWaalsContact C-N 3.33Å; G78-G80 PolarHBondContact O-N 2.82Å; G80-Y83 PolarHBondContact O-N 3.46Å; G80-A84 WeakPolarHBondContact O-CB 3.49Å; G80-A84 PolarHBondContact O-N 3.38Å; G80-N151 WeakPolarHBondContact CA-ND2 3.32Å; G80-N151 PolarHBondContact N-ND2 2.95Å; G80-N151 PolarHBondContact N-OD1 3.44Å
81K97.9Very high96.8Very high54 Ų5417.7 Ų17.724%0.23511%0.107CC..Hα-helixtrans-58.4-50.2175.8177.6173.4175.2170.40111.4A75 D77 Y83 A84 E85 V107A75-K81 VanDerWaalsContact O-CA 3.28Å; A75-K81 WeakPolarHBondContact O-CA 3.41Å; A75-K81 WeakPolarHBondContact O-CB 3.42Å; D77-K81 PolarHBondContact O-N 2.9Å; K81-Y83 VanDerWaalsContact C-N 3.31Å; K81-Y83 PolarHBondContact O-N 3.37Å; K81-A84 WeakPolarHBondContact O-CB 3.35Å; K81-A84 PolarHBondContact O-N 2.92Å; K81-E85 WeakPolarHBondContact CE-OE1 3.35Å; K81-E85 WeakPolarHBondContact O-CG 3.39Å; K81-E85 PolarHBondContact O-N 3.32Å; K81-V107 HydrophobicContact CD-CG1 4.21Å; K81-V107 HydrophobicContact CD-CG2 3.94Å; K81-V107 HydrophobicContact CG-CG1 4.01Å
82A98.3Very high96.8Very high5 Ų517.7 Ų17.74%0.04111%0.107CC..Hα-helixtrans-64.4-34.8-178.800000113G78 I79 E86 P272 K273 A276G78-A82 PolarHBondContact O-N 2.98Å; I79-A82 PolarHBondContact O-N 3.33Å; A82-E86 WeakPolarHBondContact O-CB 3.26Å; A82-E86 PolarHBondContact O-N 2.95Å; A82-P272 HydrophobicContact CB-CB 3.78Å; A82-P272 VanDerWaalsContact CB-O 3.27Å; A82-P272 WeakPolarHBondContact CB-O 3.39Å; A82-K273 HydrophobicContact CB-CG 4.35Å; A82-A276 VanDerWaalsContact C-CB 3.41Å; A82-A276 HydrophobicContact CB-CB 3.71Å; A82-A276 WeakPolarHBondContact O-CB 3.39Å
83Y98.5Very high96.7Very high0 Ų018.3 Ų18.30%011%0.11CC..Hα-helixtrans-69.8-39.5176.4-152-74.9000111.2I79 G80 K81 E86 L87 V149 L246 A279 V280I79-Y83 VanDerWaalsContact O-CB 3.24Å; I79-Y83 WeakPolarHBondContact O-CB 3.48Å; I79-Y83 PolarHBondContact O-N 2.68Å; G80-Y83 PolarHBondContact O-N 3.46Å; K81-Y83 VanDerWaalsContact C-N 3.31Å; K81-Y83 PolarHBondContact O-N 3.37Å; Y83-E86 PolarHBondContact O-N 3.49Å; Y83-L87 HydrophobicContact CD1-CD1 3.75Å; Y83-L87 HydrophobicContact CD1-CG 3.93Å; Y83-L87 HydrophobicContact CE1-CD1 3.85Å; Y83-L87 HydrophobicContact CE1-CD2 4.24Å; Y83-L87 HydrophobicContact CE1-CG 4Å; Y83-L87 WeakPolarHBondContact O-CG 3.43Å; Y83-L87 PolarHBondContact O-N 3.26Å; Y83-V149 HydrophobicContact CD1-CG1 4.04Å; Y83-V149 HydrophobicContact CD1-CG2 3.76Å; Y83-V149 HydrophobicContact CE1-CG1 4.29Å; Y83-V149 HydrophobicContact CE1-CG2 3.66Å; Y83-V149 HydrophobicContact CG-CG1 4.31Å; Y83-L246 HydrophobicContact CE2-CD1 3.79Å; Y83-A279 HydrophobicContact CD2-CB 4.42Å; Y83-A279 HydrophobicContact CE2-CB 3.84Å; Y83-V280 HydrophobicContact CD1-CG2 3.86Å; Y83-V280 HydrophobicContact CD2-CG2 4.03Å; Y83-V280 HydrophobicContact CE1-CG2 3.51Å; Y83-V280 HydrophobicContact CE2-CG2 3.69Å; Y83-V280 HydrophobicContact CG-CG2 4.11Å; Y83-V280 VanDerWaalsContact CZ-CG2 3.41Å
84A98.7Very high96.8Very high0 Ų018.3 Ų18.30%011%0.11CC..Hα-helixtrans-61.4-46.8172.400000111.8V72 G80 K81 E86 L87 A88 I94 I111V72-A84 HydrophobicContact CB-CB 4.35Å; V72-A84 HydrophobicContact CG1-CB 4.38Å; V72-A84 HydrophobicContact CG2-CB 4.06Å; G80-A84 WeakPolarHBondContact O-CB 3.49Å; G80-A84 PolarHBondContact O-N 3.38Å; K81-A84 WeakPolarHBondContact O-CB 3.35Å; K81-A84 PolarHBondContact O-N 2.92Å; A84-E86 PolarHBondContact O-N 3.47Å; A84-L87 PolarHBondContact O-N 3.46Å; A84-A88 WeakPolarHBondContact O-CB 3.29Å; A84-A88 PolarHBondContact O-N 3.28Å; A84-I94 HydrophobicContact CB-CG2 4.04Å; A84-I111 HydrophobicContact CB-CD1 4.01Å
85E98.5Very high97Very high22 Ų2217.6 Ų17.610%0.10310%0.103CC..Hα-helixtrans-58.4-45174.9-73.2175.4177.400112K81 A88 S89 I111 Y115 K273K81-E85 WeakPolarHBondContact CE-OE1 3.35Å; K81-E85 WeakPolarHBondContact O-CG 3.39Å; K81-E85 PolarHBondContact O-N 3.32Å; E85-A88 PolarHBondContact O-N 2.9Å; E85-S89 WeakPolarHBondContact O-CB 3.23Å; E85-S89 PolarHBondContact O-N 3.03Å; E85-I111 HydrophobicContact CG-CD1 4.27Å; E85-I111 HydrophobicContact CG-CG1 4.01Å; E85-Y115 HydrophobicContact CB-CE2 4.04Å; E85-Y115 HydrophobicContact CG-CE2 4.24Å; E85-K273 VanDerWaalsContact OE2-CE 3.31Å; E85-K273 WeakPolarHBondContact OE2-CE 3.23Å; E85-K273 IonicContact OE2-NZ 2.93Å
86E98.1Very high97.2Very high21 Ų2117.6 Ų17.610%0.09810%0.103CC..Hα-helixtrans-67.9-38179174.467.4-154.200112A82 Y83 A84 S89 R90 A276 H277 V280A82-E86 WeakPolarHBondContact O-CB 3.26Å; A82-E86 PolarHBondContact O-N 2.95Å; Y83-E86 PolarHBondContact O-N 3.49Å; A84-E86 PolarHBondContact O-N 3.47Å; E86-S89 PolarHBondContact O-N 3.13Å; E86-S89 PolarHBondContact O-OG 2.86Å; E86-R90 WeakPolarHBondContact O-CG 3.47Å; E86-R90 PolarHBondContact O-N 3.47Å; E86-R90 IonicContact OE1-CZ 3.77Å; E86-R90 VanDerWaalsContact OE1-CZ 3.3Å; E86-R90 IonicContact OE1-NE 3.78Å; E86-R90 PolarHBondContact OE1-NE 3.28Å; E86-R90 IonicContact OE1-NH2 2.81Å; E86-R90 PolarHBondContact OE1-NH2 3.21Å; E86-A276 HydrophobicContact CB-CB 4.34Å; E86-H277 IonicContact OE1-ND1 3.23Å; E86-H277 WeakPolarHBondContact OE2-CA 2.97Å; E86-H277 IonicContact OE2-CG 2.82Å; E86-H277 IonicContact OE2-ND1 3.99Å; E86-H277 PolarHBondContact OE2-ND1 3.14Å; E86-V280 HydrophobicContact CB-CG2 4.08Å; E86-V280 HydrophobicContact CG-CB 3.64Å; E86-V280 HydrophobicContact CG-CG1 4.08Å; E86-V280 HydrophobicContact CG-CG2 3.51Å
87L98.4Very high97.5Very high0 Ų016.4 Ų16.40%010%0.095CC..Hα-helixtrans-65.3-41.5173.5-72177.1000111.8L62 A70 V72 Y83 A84 S89 R90 L92 I94 I147 V149 V280L62-L87 HydrophobicContact CD1-CD2 3.8Å; A70-L87 HydrophobicContact CB-CD1 3.73Å; V72-L87 HydrophobicContact CG2-CD1 4.39Å; Y83-L87 HydrophobicContact CD1-CD1 3.75Å; Y83-L87 HydrophobicContact CD1-CG 3.93Å; Y83-L87 HydrophobicContact CE1-CD1 3.85Å; Y83-L87 HydrophobicContact CE1-CD2 4.24Å; Y83-L87 HydrophobicContact CE1-CG 4Å; Y83-L87 WeakPolarHBondContact O-CG 3.43Å; Y83-L87 PolarHBondContact O-N 3.26Å; A84-L87 PolarHBondContact O-N 3.46Å; L87-S89 VanDerWaalsContact C-N 3.32Å; L87-S89 PolarHBondContact O-N 2.91Å; L87-R90 CarbonylContact O-C 3.11Å; L87-R90 WeakPolarHBondContact O-CA 3.47Å; L87-R90 WeakPolarHBondContact O-CB 3.33Å; L87-R90 PolarHBondContact O-N 2.86Å; L87-L92 HydrophobicContact CB-CD1 4.42Å; L87-L92 HydrophobicContact CD2-CD1 4.32Å; L87-L92 VanDerWaalsContact O-CD1 3.3Å; L87-L92 WeakPolarHBondContact O-CD1 3.2Å; L87-L92 PolarHBondContact O-N 3.37Å; L87-I94 HydrophobicContact CB-CD1 3.84Å; L87-I147 HydrophobicContact CD1-CG2 4.42Å; L87-I147 HydrophobicContact CD2-CD1 4.08Å; L87-V149 HydrophobicContact CD1-CG2 3.95Å; L87-V280 HydrophobicContact CD2-CG1 3.86Å; L87-V280 HydrophobicContact CD2-CG2 4.37Å
88A98.4Very high97.7Very high1 Ų113.3 Ų13.31%0.0088%0.079CC..Hα-helixtrans-62.3-39.3174.800000111.8A84 E85 R90 G91 I94 I111 Y115 V117A84-A88 WeakPolarHBondContact O-CB 3.29Å; A84-A88 PolarHBondContact O-N 3.28Å; E85-A88 PolarHBondContact O-N 2.9Å; A88-R90 PolarHBondContact O-N 2.94Å; A88-G91 WeakPolarHBondContact O-CA 3.3Å; A88-G91 PolarHBondContact O-N 3.16Å; A88-I94 HydrophobicContact CB-CD1 4.29Å; A88-I94 HydrophobicContact CB-CG1 3.88Å; A88-I111 HydrophobicContact CB-CG2 3.49Å; A88-I111 VanDerWaalsContact CB-CG2 3.49Å; A88-Y115 HydrophobicContact CB-CD2 3.58Å; A88-Y115 HydrophobicContact CB-CE2 4.27Å; A88-Y115 HydrophobicContact CB-CG 3.88Å; A88-V117 HydrophobicContact CB-CG2 3.85Å
89S97.2Very high97.8Very high44 Ų4420.9 Ų20.931%0.30811%0.105SC..THydrogen-bonded Turntrans-61.7-15.5174.285.60000113.8E85 E86 L87E85-S89 WeakPolarHBondContact O-CB 3.23Å; E85-S89 PolarHBondContact O-N 3.03Å; E86-S89 PolarHBondContact O-N 3.13Å; E86-S89 PolarHBondContact O-OG 2.86Å; L87-S89 VanDerWaalsContact C-N 3.32Å; L87-S89 PolarHBondContact O-N 2.91Å
90R95.8Very high97.7Very high41 Ų4122.8 Ų22.816%0.15512%0.115CC..THydrogen-bonded Turntrans-100.710.6174.1-61.4-177.9-173.8-1527.8112.9L62 E86 L87 A88 L92L62-R90 HydrophobicContact CD1-CB 4.44Å; E86-R90 WeakPolarHBondContact O-CG 3.47Å; E86-R90 PolarHBondContact O-N 3.47Å; E86-R90 IonicContact OE1-CZ 3.77Å; E86-R90 VanDerWaalsContact OE1-CZ 3.3Å; E86-R90 IonicContact OE1-NE 3.78Å; E86-R90 PolarHBondContact OE1-NE 3.28Å; E86-R90 IonicContact OE1-NH2 2.81Å; E86-R90 PolarHBondContact OE1-NH2 3.21Å; L87-R90 CarbonylContact O-C 3.11Å; L87-R90 WeakPolarHBondContact O-CA 3.47Å; L87-R90 WeakPolarHBondContact O-CB 3.33Å; L87-R90 PolarHBondContact O-N 2.86Å; A88-R90 PolarHBondContact O-N 2.94Å; R90-L92 HydrophobicContact CB-CD1 4.11Å
91G96.9Very high97.7Very high34 Ų3427.7 Ų27.735%0.35114%0.138SC..THydrogen-bonded Turntrans87.16.4173.300000115.5I63 A88I63-G91 WeakPolarHBondContact CD1-O 3.48Å; A88-G91 WeakPolarHBondContact O-CA 3.3Å; A88-G91 PolarHBondContact O-N 3.16Å
92L98.3Very high97.7Very high0 Ų032.2 Ų32.20%016%0.16CC..  trans-76140.9175.4-69.995.2000111.1L62 I63 A70 L87 R90 I94 I147L62-L92 HydrophobicContact CB-CD1 3.81Å; L62-L92 HydrophobicContact CD1-CD1 4.01Å; I63-L92 HydrophobicContact CG1-CG 4.18Å; A70-L92 HydrophobicContact CB-CD2 3.98Å; L87-L92 HydrophobicContact CB-CD1 4.42Å; L87-L92 HydrophobicContact CD2-CD1 4.32Å; L87-L92 VanDerWaalsContact O-CD1 3.3Å; L87-L92 WeakPolarHBondContact O-CD1 3.2Å; L87-L92 PolarHBondContact O-N 3.37Å; R90-L92 HydrophobicContact CB-CD1 4.11Å; L92-I94 HydrophobicContact CB-CD1 4.18Å; L92-I147 HydrophobicContact CD2-CD1 3.55Å; L92-I147 HydrophobicContact CD2-CG1 4.02Å
93N98.6Very high97.6Very high12 Ų1237.5 Ų37.56%0.06418%0.182CC..EExtended strand (participates in β ladder)trans-73.3143.7165.7-66.2-14.9000109.4R68 W69 A70 E118R68-N93 PolarHBondContact O-N 3.19Å; W69-N93 CarbonylContact C-O 3.6Å; W69-N93 WeakPolarHBondContact CA-O 3.33Å; W69-N93 HydrophobicContact CD2-CB 3.39Å; W69-N93 HydrophobicContact CE3-CB 3.33Å; W69-N93 HydrophobicContact CG-CB 4.05Å; W69-N93 HydrophobicContact CH2-CB 3.82Å; W69-N93 HydrophobicContact CZ2-CB 3.82Å; W69-N93 HydrophobicContact CZ3-CB 3.58Å; A70-N93 PolarHBondContact N-O 2.89Å; N93-E118 CarbonylContact C-O 3.48Å; N93-E118 VanDerWaalsContact CA-O 3.23Å; N93-E118 WeakPolarHBondContact CA-O 3.38Å; N93-E118 HydrophobicContact CB-CB 4.11Å; N93-E118 WeakPolarHBondContact CB-O 3.46Å; N93-E118 PolarHBondContact ND2-OE1 3.21Å; N93-E118 PolarHBondContact OD1-N 2.87Å
94I98.8Very high97.5Very high0 Ų037.5 Ų37.50%018%0.182CC..EExtended strand (participates in β ladder)trans-120.2126.5-169.6-51.8-58.1000111.6A70 V72 A84 L87 A88 L92 L96 I111 E118 T119 D120A70-I94 HydrophobicContact CB-CD1 4.01Å; A70-I94 CarbonylContact O-C 3.56Å; A70-I94 WeakPolarHBondContact O-CA 3.5Å; V72-I94 HydrophobicContact CG2-CG2 4.44Å; A84-I94 HydrophobicContact CB-CG2 4.04Å; L87-I94 HydrophobicContact CB-CD1 3.84Å; A88-I94 HydrophobicContact CB-CD1 4.29Å; A88-I94 HydrophobicContact CB-CG1 3.88Å; L92-I94 HydrophobicContact CB-CD1 4.18Å; I94-L96 HydrophobicContact CB-CD1 4.26Å; I94-L96 HydrophobicContact CG2-CD1 3.72Å; I94-L96 HydrophobicContact CG2-CG 3.81Å; I94-I111 HydrophobicContact CG1-CG2 4.2Å; I94-E118 PolarHBondContact N-O 3.14Å; I94-T119 HydrophobicContact CB-CG2 4.43Å; I94-T119 CarbonylContact O-C 3.58Å; I94-T119 WeakPolarHBondContact O-CA 3.44Å; I94-D120 PolarHBondContact O-N 3.07Å
95I98.7Very high97.5Very high1 Ų142.3 Ų42.31%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-102.2115.8166.2-50.7-174.6000108.2W69 A70 V71 V72 D120 I122 L140 R143 I145W69-I95 HydrophobicContact CD2-CD1 4.41Å; W69-I95 HydrophobicContact CD2-CG1 4.31Å; W69-I95 HydrophobicContact CE3-CD1 3.91Å; W69-I95 HydrophobicContact CE3-CG1 3.37Å; W69-I95 HydrophobicContact CZ3-CD1 4.35Å; W69-I95 HydrophobicContact CZ3-CG1 3.66Å; A70-I95 PolarHBondContact O-N 2.92Å; V71-I95 WeakPolarHBondContact CA-O 3.42Å; V71-I95 HydrophobicContact CG2-CB 4.16Å; V71-I95 HydrophobicContact CG2-CD1 4.31Å; V72-I95 PolarHBondContact N-O 2.93Å; I95-D120 CarbonylContact C-O 3.47Å; I95-D120 WeakPolarHBondContact CA-O 3.34Å; I95-D120 HydrophobicContact CG1-CB 4.12Å; I95-D120 HydrophobicContact CG2-CB 4.37Å; I95-I122 HydrophobicContact CG2-CD1 3.74Å; I95-I122 HydrophobicContact CG2-CG1 3.95Å; I95-L140 HydrophobicContact CD1-CD2 3.46Å; I95-L140 VanDerWaalsContact CD1-CD2 3.46Å; I95-L140 HydrophobicContact CG2-CD2 4.2Å; I95-R143 HydrophobicContact CD1-CG 4.18Å; I95-I145 HydrophobicContact CD1-CD1 3.77Å
96L98.7Very high97.5Very high0 Ų045.3 Ų45.30%022%0.224CC..EExtended strand (participates in β ladder)trans-97.9126.7-177.9-62.396.4000110.5A75 I94 L104 V107 A108 I111 D120 I121 I122A75-L96 HydrophobicContact CB-CB 3.94Å; A75-L96 HydrophobicContact CB-CD2 3.79Å; A75-L96 HydrophobicContact CB-CG 4.06Å; I94-L96 HydrophobicContact CB-CD1 4.26Å; I94-L96 HydrophobicContact CG2-CD1 3.72Å; I94-L96 HydrophobicContact CG2-CG 3.81Å; L96-L104 HydrophobicContact CB-CD2 3.46Å; L96-L104 VanDerWaalsContact CB-CD2 3.46Å; L96-V107 HydrophobicContact CD2-CB 4.23Å; L96-V107 HydrophobicContact CD2-CG1 3.54Å; L96-A108 HydrophobicContact CD1-CB 3.98Å; L96-I111 HydrophobicContact CD2-CD1 4.04Å; L96-D120 PolarHBondContact N-O 3.49Å; L96-I121 HydrophobicContact CB-CG2 4.49Å; L96-I121 WeakPolarHBondContact O-CA 3.31Å; L96-I122 PolarHBondContact O-N 2.94Å
97I98.3Very high97.5Very high0 Ų044.5 Ų44.50%022%0.221CC..EExtended strand (participates in β ladder)trans-115.8123.2176.5-44.9-169.5000110.2V71 V72 S73 G74 A75 I122 A124 F126 I136 M184V71-I97 HydrophobicContact CG1-CD1 3.55Å; V71-I97 HydrophobicContact CG1-CG1 3.98Å; V72-I97 PolarHBondContact O-N 2.87Å; S73-I97 CarbonylContact C-O 3.28Å; G74-I97 PolarHBondContact N-O 2.6Å; A75-I97 PolarHBondContact N-O 3.14Å; I97-I122 WeakPolarHBondContact CA-O 3.49Å; I97-I122 HydrophobicContact CD1-CB 4.45Å; I97-I122 HydrophobicContact CD1-CD1 4.1Å; I97-I122 HydrophobicContact CG1-CB 4.1Å; I97-I122 HydrophobicContact CG1-CD1 4.36Å; I97-I122 HydrophobicContact CG2-CB 4.39Å; I97-A124 HydrophobicContact CG2-CB 3.91Å; I97-F126 HydrophobicContact CG2-CE2 3.77Å; I97-F126 HydrophobicContact CG2-CZ 3.81Å; I97-I136 HydrophobicContact CD1-CG2 4.2Å; I97-M184 HydrophobicContact CD1-CE 3.71Å; I97-M184 HydrophobicContact CD1-SD 4.47Å
98S96.8Very high97.5Very high13 Ų1344.8 Ų44.89%0.09122%0.223CC..EExtended strand (participates in β ladder)trans-162.3172.9175-163.10000110.2T76 L104 I122 V123 A124T76-S98 VanDerWaalsContact CG2-CB 3.48Å; T76-S98 PolarHBondContact OG1-OG 3.36Å; S98-L104 WeakPolarHBondContact O-CD1 3.47Å; S98-I122 PolarHBondContact N-O 3.08Å; S98-V123 WeakPolarHBondContact O-CA 2.98Å; S98-A124 CarbonylContact C-O 3.52Å; S98-A124 VanDerWaalsContact C-O 3.28Å; S98-A124 PolarHBondContact O-N 3.49Å
99R94.5Very high97.5Very high170 Ų17051.1 Ų51.164%0.64225%0.251SS*.SBendtrans-88.3-17.4-177.164-176.6177.6177.41.6115A124 D125R99-A124 PolarHBondContact N-O 2.79Å; R99-D125 HydrophobicContact CB-CB 3.94Å
100N95.6Very high97.6Very high60 Ų6052.5 Ų52.532%0.32125%0.254SS..  trans-105.8108.2-177.9-177.1-58.9000109.7E102 K103 L104N100-E102 PolarHBondContact OD1-N 3.35Å; N100-K103 HydrophobicContact CB-CB 4.28Å; N100-K103 HydrophobicContact CB-CD 4.4Å; N100-K103 HydrophobicContact CB-CG 4.48Å; N100-K103 WeakPolarHBondContact OD1-CB 3.41Å; N100-K103 WeakPolarHBondContact OD1-CG 3.44Å; N100-K103 PolarHBondContact OD1-N 2.9Å; N100-L104 WeakPolarHBondContact O-CG 3.43Å; N100-L104 PolarHBondContact O-N 3.13Å; N100-L104 VanDerWaalsContact O-N 3.08Å
101E97.1Very high97.7Very high103 Ų10350.6 Ų50.648%0.48125%0.247SC..Hα-helixtrans-64.3-46.7-176.1-174.7172.8-174.100112.9K103 L104 Q105 V123E101-K103 VanDerWaalsContact C-N 3.34Å; E101-K103 PolarHBondContact O-N 2.94Å; E101-L104 WeakPolarHBondContact O-CA 3.4Å; E101-L104 WeakPolarHBondContact O-CB 3.44Å; E101-L104 PolarHBondContact O-N 3.01Å; E101-Q105 HydrophobicContact CG-CG 4.39Å; E101-Q105 WeakPolarHBondContact O-CG 3.49Å; E101-Q105 PolarHBondContact O-N 3.23Å; E101-Q105 PolarHBondContact OE1-NE2 3.44Å; E101-V123 HydrophobicContact CB-CG2 3.74Å; E101-V123 HydrophobicContact CG-CG2 3.76Å
102E97.2Very high97.8Very high149 Ų14950.1 Ų50.170%0.69624%0.24SC*.Hα-helixtrans-58.1-46.4-179.4-62.7175.8176.200111.4N100 L104 Q105 V106N100-E102 PolarHBondContact OD1-N 3.35Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 3.41Å; E102-Q105 PolarHBondContact O-N 2.9Å; E102-V106 WeakPolarHBondContact O-CG2 3.23Å; E102-V106 PolarHBondContact O-N 3.04Å; E102-V106 VanDerWaalsContact O-N 3.08Å
103K96.5Very high97.8Very high117 Ų11754.4 Ų54.451%0.50926%0.263SS..Hα-helixtrans-65-36.8175.9-71.4-175.8179.4-174.90112T76 N100 E101 V107T76-K103 HydrophobicContact CG2-CB 3.85Å; N100-K103 HydrophobicContact CB-CB 4.28Å; N100-K103 HydrophobicContact CB-CD 4.4Å; N100-K103 HydrophobicContact CB-CG 4.48Å; N100-K103 WeakPolarHBondContact OD1-CB 3.41Å; N100-K103 WeakPolarHBondContact OD1-CG 3.44Å; N100-K103 PolarHBondContact OD1-N 2.9Å; E101-K103 VanDerWaalsContact C-N 3.34Å; E101-K103 PolarHBondContact O-N 2.94Å; K103-V107 WeakPolarHBondContact O-CB 3.42Å; K103-V107 VanDerWaalsContact O-CG2 3.27Å; K103-V107 WeakPolarHBondContact O-CG2 3.37Å; K103-V107 PolarHBondContact O-N 3.44Å
104L97.6Very high97.8Very high0 Ų058.2 Ų58.20%029%0.287CS..Hα-helixtrans-62.4-48.1175.4-83.7168.7000111.1T76 L96 S98 N100 E101 E102 V106 V107 A108 I121 V123T76-L104 HydrophobicContact CG2-CB 4.36Å; T76-L104 HydrophobicContact CG2-CD2 3.73Å; T76-L104 HydrophobicContact CG2-CG 3.65Å; L96-L104 HydrophobicContact CB-CD2 3.46Å; L96-L104 VanDerWaalsContact CB-CD2 3.46Å; S98-L104 WeakPolarHBondContact O-CD1 3.47Å; N100-L104 WeakPolarHBondContact O-CG 3.43Å; N100-L104 PolarHBondContact O-N 3.13Å; N100-L104 VanDerWaalsContact O-N 3.08Å; E101-L104 WeakPolarHBondContact O-CA 3.4Å; E101-L104 WeakPolarHBondContact O-CB 3.44Å; E101-L104 PolarHBondContact O-N 3.01Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 3.41Å; L104-V106 VanDerWaalsContact C-N 3.34Å; L104-V106 PolarHBondContact O-N 3.45Å; L104-V107 PolarHBondContact O-N 2.91Å; L104-A108 WeakPolarHBondContact O-CB 3.22Å; L104-A108 PolarHBondContact O-N 3.41Å; L104-I121 HydrophobicContact CB-CB 4.25Å; L104-I121 HydrophobicContact CB-CD1 4.27Å; L104-I121 HydrophobicContact CB-CG2 4.06Å; L104-V123 HydrophobicContact CD1-CG2 4.12Å
105Q98.2Very high97.7Very high101 Ų10162 Ų6247%0.47230%0.302SS..Hα-helixtrans-59.7-44.5179.5-70.3176.6-1.400111.5E101 E102 K109 I121E101-Q105 HydrophobicContact CG-CG 4.39Å; E101-Q105 WeakPolarHBondContact O-CG 3.49Å; E101-Q105 PolarHBondContact O-N 3.23Å; E101-Q105 PolarHBondContact OE1-NE2 3.44Å; E102-Q105 PolarHBondContact O-N 2.9Å; Q105-K109 VanDerWaalsContact O-CB 3.31Å; Q105-K109 WeakPolarHBondContact O-CB 3.36Å; Q105-K109 PolarHBondContact O-N 2.75Å; Q105-I121 HydrophobicContact CG-CD1 3.67Å
106V98.2Very high97.7Very high84 Ų8469.9 Ų69.951%0.50934%0.336SS..Hα-helixtrans-60.8-51.9176172.50000111.1E102 L104 A108 K109 D110E102-V106 WeakPolarHBondContact O-CG2 3.23Å; E102-V106 PolarHBondContact O-N 3.04Å; E102-V106 VanDerWaalsContact O-N 3.08Å; L104-V106 VanDerWaalsContact C-N 3.34Å; L104-V106 PolarHBondContact O-N 3.45Å; V106-A108 PolarHBondContact O-N 3.32Å; V106-K109 PolarHBondContact O-N 2.77Å; V106-D110 WeakPolarHBondContact O-CB 3.41Å; V106-D110 VanDerWaalsContact O-CG 3.25Å; V106-D110 PolarHBondContact O-N 3.36Å
107V98.2Very high97.7Very high5 Ų570.7 Ų70.73%0.0334%0.341CS..Hα-helixtrans-66-39.1-177.5175.80000112K81 L96 K103 L104 D110 I111K81-V107 HydrophobicContact CD-CG1 4.21Å; K81-V107 HydrophobicContact CD-CG2 3.94Å; K81-V107 HydrophobicContact CG-CG1 4.01Å; L96-V107 HydrophobicContact CD2-CB 4.23Å; L96-V107 HydrophobicContact CD2-CG1 3.54Å; K103-V107 WeakPolarHBondContact O-CB 3.42Å; K103-V107 VanDerWaalsContact O-CG2 3.27Å; K103-V107 WeakPolarHBondContact O-CG2 3.37Å; K103-V107 PolarHBondContact O-N 3.44Å; L104-V107 PolarHBondContact O-N 2.91Å; V107-D110 PolarHBondContact O-N 3.32Å; V107-I111 HydrophobicContact CG1-CD1 3.82Å; V107-I111 HydrophobicContact CG1-CG1 4.48Å; V107-I111 WeakPolarHBondContact O-CB 3.26Å; V107-I111 WeakPolarHBondContact O-CG1 3.34Å; V107-I111 PolarHBondContact O-N 3.17Å
108A98.5Very high97.7Very high6 Ų675.2 Ų75.25%0.0536%0.362CS..Hα-helixtrans-61.2-48.8176.400000110.9L96 L104 V106 D110 I111 A112 T119 I121L96-A108 HydrophobicContact CD1-CB 3.98Å; L104-A108 WeakPolarHBondContact O-CB 3.22Å; L104-A108 PolarHBondContact O-N 3.41Å; V106-A108 PolarHBondContact O-N 3.32Å; A108-D110 PolarHBondContact O-N 2.88Å; A108-I111 PolarHBondContact O-N 2.9Å; A108-A112 WeakPolarHBondContact O-CB 3.29Å; A108-A112 PolarHBondContact O-N 3.2Å; A108-T119 WeakPolarHBondContact O-CG2 3.44Å; A108-T119 PolarHBondContact O-OG1 3.12Å; A108-I121 HydrophobicContact CB-CG2 3.61Å
109K98.4Very high97.8Very high134 Ų13476.6 Ų76.658%0.58337%0.37SS*.Hα-helixtrans-60.3-47.3176.8-174.7178179.2-177.30111.9Q105 V106 I111 A112 D113Q105-K109 VanDerWaalsContact O-CB 3.31Å; Q105-K109 WeakPolarHBondContact O-CB 3.36Å; Q105-K109 PolarHBondContact O-N 2.75Å; V106-K109 PolarHBondContact O-N 2.77Å; K109-I111 VanDerWaalsContact C-N 3.29Å; K109-I111 PolarHBondContact O-N 2.93Å; K109-A112 PolarHBondContact O-N 3.42Å; K109-D113 WeakPolarHBondContact CE-OD2 3.33Å; K109-D113 WeakPolarHBondContact CG-OD2 3.33Å; K109-D113 WeakPolarHBondContact O-CB 3.24Å; K109-D113 PolarHBondContact O-N 3.3Å
110D98.2Very high97.9Very high72 Ų7271 Ų7139%0.38535%0.353SS..Hα-helixtrans-56.9-43.1177.7-72.7-12000111.6V106 V107 A108 T114V106-D110 WeakPolarHBondContact O-CB 3.41Å; V106-D110 VanDerWaalsContact O-CG 3.25Å; V106-D110 PolarHBondContact O-N 3.36Å; V107-D110 PolarHBondContact O-N 3.32Å; A108-D110 PolarHBondContact O-N 2.88Å; D110-T114 WeakPolarHBondContact O-CB 3.5Å; D110-T114 PolarHBondContact O-N 3.01Å; D110-T114 PolarHBondContact O-OG1 3.47Å
111I98.6Very high98.1Very high1 Ų170.3 Ų70.31%0.00535%0.349CS..Hα-helixtrans-66.5-48.2178.1-74.5168.6000111.1A84 E85 A88 I94 L96 V107 A108 K109 D113 T114 Y115 V117 T119A84-I111 HydrophobicContact CB-CD1 4.01Å; E85-I111 HydrophobicContact CG-CD1 4.27Å; E85-I111 HydrophobicContact CG-CG1 4.01Å; A88-I111 HydrophobicContact CB-CG2 3.49Å; A88-I111 VanDerWaalsContact CB-CG2 3.49Å; I94-I111 HydrophobicContact CG1-CG2 4.2Å; L96-I111 HydrophobicContact CD2-CD1 4.04Å; V107-I111 HydrophobicContact CG1-CD1 3.82Å; V107-I111 HydrophobicContact CG1-CG1 4.48Å; V107-I111 WeakPolarHBondContact O-CB 3.26Å; V107-I111 WeakPolarHBondContact O-CG1 3.34Å; V107-I111 PolarHBondContact O-N 3.17Å; A108-I111 PolarHBondContact O-N 2.9Å; K109-I111 VanDerWaalsContact C-N 3.29Å; K109-I111 PolarHBondContact O-N 2.93Å; I111-D113 PolarHBondContact O-N 2.92Å; I111-T114 PolarHBondContact O-N 3.31Å; I111-Y115 HydrophobicContact CB-CD2 4.45Å; I111-Y115 HydrophobicContact CG2-CD2 4.13Å; I111-Y115 WeakPolarHBondContact O-CD2 3.46Å; I111-Y115 PolarHBondContact O-N 3.4Å; I111-V117 HydrophobicContact CG2-CG2 3.92Å; I111-T119 HydrophobicContact CB-CG2 4.06Å; I111-T119 HydrophobicContact CG2-CG2 3.63Å
112A98.5Very high98.1Very high25 Ų2566.4 Ų66.421%0.20733%0.331CS..Hα-helixtrans-60.1-46.8179.100000111.4A108 K109 K116 V117 T119A108-A112 WeakPolarHBondContact O-CB 3.29Å; A108-A112 PolarHBondContact O-N 3.2Å; K109-A112 PolarHBondContact O-N 3.42Å; A112-K116 VanDerWaalsContact O-CA 3.24Å; A112-K116 WeakPolarHBondContact O-CA 3.41Å; A112-K116 PolarHBondContact O-N 2.93Å; A112-V117 WeakPolarHBondContact CA-O 3.46Å; A112-T119 HydrophobicContact CB-CG2 4.04Å
113D98.3Very high98.2Very high89 Ų8962.7 Ų62.748%0.47632%0.318SS..Hα-helixtrans-68.4-38.7-177.9-74.6-20.2000112K109 I111 K116K109-D113 WeakPolarHBondContact CE-OD2 3.33Å; K109-D113 WeakPolarHBondContact CG-OD2 3.33Å; K109-D113 WeakPolarHBondContact O-CB 3.24Å; K109-D113 PolarHBondContact O-N 3.3Å; I111-D113 PolarHBondContact O-N 2.92Å; D113-K116 VanDerWaalsContact O-CE 3.25Å; D113-K116 WeakPolarHBondContact O-CE 3.46Å; D113-K116 PolarHBondContact O-NZ 2.84Å
114T98.3Very high98.2Very high93 Ų9357.5 Ų57.557%0.57130%0.297SS*.Hα-helixtrans-76.8-47.5-177.4-57.70000112.3D110 I111D110-T114 WeakPolarHBondContact O-CB 3.5Å; D110-T114 PolarHBondContact O-N 3.01Å; D110-T114 PolarHBondContact O-OG1 3.47Å; I111-T114 PolarHBondContact O-N 3.31Å
115Y98.1Very high98.1Very high79 Ų7959.7 Ų59.731%0.3131%0.309SS..Hα-helixtrans-103.1-5.3-169.5-56.6-69.6000113.8E85 A88 I111 V117E85-Y115 HydrophobicContact CB-CE2 4.04Å; E85-Y115 HydrophobicContact CG-CE2 4.24Å; A88-Y115 HydrophobicContact CB-CD2 3.58Å; A88-Y115 HydrophobicContact CB-CE2 4.27Å; A88-Y115 HydrophobicContact CB-CG 3.88Å; I111-Y115 HydrophobicContact CB-CD2 4.45Å; I111-Y115 HydrophobicContact CG2-CD2 4.13Å; I111-Y115 WeakPolarHBondContact O-CD2 3.46Å; I111-Y115 PolarHBondContact O-N 3.4Å; Y115-V117 VanDerWaalsContact C-N 3.3Å; Y115-V117 PolarHBondContact O-N 3.47Å
116K98.2Very high98Very high167 Ų16755.2 Ų55.273%0.72629%0.288SS*.  trans57.941.2179.3-50.8-53.6-174.4-165.10112.8A112 D113A112-K116 VanDerWaalsContact O-CA 3.24Å; A112-K116 WeakPolarHBondContact O-CA 3.41Å; A112-K116 PolarHBondContact O-N 2.93Å; D113-K116 VanDerWaalsContact O-CE 3.25Å; D113-K116 WeakPolarHBondContact O-CE 3.46Å; D113-K116 PolarHBondContact O-NZ 2.84Å
117V98.3Very high97.9Very high16 Ų1652.8 Ų52.810%0.09728%0.275CS..  trans-113.2162.9175.1-60.40000110.4A88 I111 A112 Y115A88-V117 HydrophobicContact CB-CG2 3.85Å; I111-V117 HydrophobicContact CG2-CG2 3.92Å; A112-V117 WeakPolarHBondContact CA-O 3.46Å; Y115-V117 VanDerWaalsContact C-N 3.3Å; Y115-V117 PolarHBondContact O-N 3.47Å
118E98.4Very high97.5Very high96 Ų9656.3 Ų56.345%0.44930%0.299SS..  trans-77.7143.5171.9-59.1166.2-129.400110.4W69 N93 I94W69-E118 HydrophobicContact CH2-CB 3.7Å; W69-E118 HydrophobicContact CZ2-CB 4.04Å; W69-E118 WeakPolarHBondContact CZ2-OE2 3.19Å; N93-E118 CarbonylContact C-O 3.48Å; N93-E118 VanDerWaalsContact CA-O 3.23Å; N93-E118 WeakPolarHBondContact CA-O 3.38Å; N93-E118 HydrophobicContact CB-CB 4.11Å; N93-E118 WeakPolarHBondContact CB-O 3.46Å; N93-E118 PolarHBondContact ND2-OE1 3.21Å; N93-E118 PolarHBondContact OD1-N 2.87Å; I94-E118 PolarHBondContact N-O 3.14Å
119T98.5Very high97.1Very high41 Ų4156.8 Ų56.825%0.25231%0.305SS..EExtended strand (participates in β ladder)trans-128.8143.8173.659.50000111.3I94 A108 I111 A112I94-T119 HydrophobicContact CB-CG2 4.43Å; I94-T119 CarbonylContact O-C 3.58Å; I94-T119 WeakPolarHBondContact O-CA 3.44Å; A108-T119 WeakPolarHBondContact O-CG2 3.44Å; A108-T119 PolarHBondContact O-OG1 3.12Å; I111-T119 HydrophobicContact CB-CG2 4.06Å; I111-T119 HydrophobicContact CG2-CG2 3.63Å; A112-T119 HydrophobicContact CB-CG2 4.04Å
120D98Very high96.8Very high54 Ų5460.9 Ų60.929%0.28932%0.317SS..EExtended strand (participates in β ladder)trans-131.4157172.5-153.2-13.8000109.2W69 I94 I95 L96 R143W69-D120 HydrophobicContact CH2-CB 4.45Å; W69-D120 HydrophobicContact CZ3-CB 4.19Å; I94-D120 PolarHBondContact O-N 3.07Å; I95-D120 CarbonylContact C-O 3.47Å; I95-D120 WeakPolarHBondContact CA-O 3.34Å; I95-D120 HydrophobicContact CG1-CB 4.12Å; I95-D120 HydrophobicContact CG2-CB 4.37Å; L96-D120 PolarHBondContact N-O 3.49Å; D120-R143 IonicContact OD2-CZ 3.57Å; D120-R143 IonicContact OD2-NE 2.87Å; D120-R143 IonicContact OD2-NH2 3.3Å; D120-R143 PolarHBondContact OD2-NH2 3.5Å
121I98.3Very high96.5Very high44 Ų4465.5 Ų65.523%0.22634%0.336CS..EExtended strand (participates in β ladder)trans-127.1143.2-179.367.1170.9000110.8L96 L104 Q105 A108L96-I121 HydrophobicContact CB-CG2 4.49Å; L96-I121 WeakPolarHBondContact O-CA 3.31Å; L104-I121 HydrophobicContact CB-CB 4.25Å; L104-I121 HydrophobicContact CB-CD1 4.27Å; L104-I121 HydrophobicContact CB-CG2 4.06Å; Q105-I121 HydrophobicContact CG-CD1 3.67Å; A108-I121 HydrophobicContact CB-CG2 3.61Å
122I98.2Very high96.4Very high21 Ų2166.7 Ų66.711%0.10834%0.342CS..EExtended strand (participates in β ladder)trans-128.1116.4170.4-55.3172.4000107.8I95 L96 I97 S98 A124 I136 A139 L140I95-I122 HydrophobicContact CG2-CD1 3.74Å; I95-I122 HydrophobicContact CG2-CG1 3.95Å; L96-I122 PolarHBondContact O-N 2.94Å; I97-I122 WeakPolarHBondContact CA-O 3.49Å; I97-I122 HydrophobicContact CD1-CB 4.45Å; I97-I122 HydrophobicContact CD1-CD1 4.1Å; I97-I122 HydrophobicContact CG1-CB 4.1Å; I97-I122 HydrophobicContact CG1-CD1 4.36Å; I97-I122 HydrophobicContact CG2-CB 4.39Å; S98-I122 PolarHBondContact N-O 3.08Å; I122-A124 PolarHBondContact O-N 3.08Å; I122-I136 HydrophobicContact CG2-CG1 3.93Å; I122-A139 HydrophobicContact CD1-CB 3.82Å; I122-A139 HydrophobicContact CG1-CB 4.32Å; I122-L140 HydrophobicContact CD1-CD2 3.98Å; I122-L140 HydrophobicContact CD1-CG 4.26Å
123V97.8Very high96.3Very high71 Ų7166.3 Ų66.343%0.4334%0.336SS..EExtended strand (participates in β ladder)trans-81.1113.9175.4-1740000108.2S98 E101 L104S98-V123 WeakPolarHBondContact O-CA 2.98Å; E101-V123 HydrophobicContact CB-CG2 3.74Å; E101-V123 HydrophobicContact CG-CG2 3.76Å; L104-V123 HydrophobicContact CD1-CG2 4.12Å
124A97Very high96.2Very high8 Ų867.5 Ų67.57%0.06634%0.342CS..  trans-150.5131.917800000111.1I97 S98 R99 I122 I132 I136I97-A124 HydrophobicContact CG2-CB 3.91Å; S98-A124 CarbonylContact C-O 3.52Å; S98-A124 VanDerWaalsContact C-O 3.28Å; S98-A124 PolarHBondContact O-N 3.49Å; R99-A124 PolarHBondContact N-O 2.79Å; I122-A124 PolarHBondContact O-N 3.08Å; A124-I132 HydrophobicContact CB-CB 4.44Å; A124-I132 HydrophobicContact CB-CD1 4.31Å; A124-I136 HydrophobicContact CB-CD1 3.97Å; A124-I136 HydrophobicContact CB-CG1 4.46Å
125D96.4Very high96.1Very high47 Ų4767 Ų6725%0.25134%0.34SS..  trans-99108.7169.3-165.2-26000110.3R99 S127 S128R99-D125 HydrophobicContact CB-CB 3.94Å; D125-S127 PolarHBondContact O-N 3.18Å; D125-S127 VanDerWaalsContact O-N 3.17Å; D125-S127 WeakPolarHBondContact OD1-CB 3.49Å; D125-S127 PolarHBondContact OD1-N 2.78Å; D125-S127 PolarHBondContact OD1-OG 2.9Å; D125-S127 PolarHBondContact OD2-OG 2.87Å; D125-S128 WeakPolarHBondContact O-CB 3.16Å; D125-S128 PolarHBondContact O-N 3Å; D125-S128 VanDerWaalsContact O-N 3.08Å; D125-S128 PolarHBondContact O-OG 3.04Å
126F96.1Very high96.1Very high6 Ų663.3 Ų63.33%0.02633%0.326CS..G310 helixtrans-66-13.3-179.6-69.6-80.3000114I97 S128 I132 Y133 I136 V152 V176 A180 M184I97-F126 HydrophobicContact CG2-CE2 3.77Å; I97-F126 HydrophobicContact CG2-CZ 3.81Å; F126-S128 VanDerWaalsContact C-N 3.3Å; F126-I132 HydrophobicContact CB-CD1 4.35Å; F126-I132 HydrophobicContact CD1-CD1 3.49Å; F126-I132 VanDerWaalsContact CD1-CD1 3.49Å; F126-I132 HydrophobicContact CE1-CD1 3.95Å; F126-I132 HydrophobicContact CG-CD1 4Å; F126-Y133 HydrophobicContact CD1-CE1 4.16Å; F126-Y133 AromaticContact CE1-CE1 3.98Å; F126-Y133 HydrophobicContact CE1-CE1 3.98Å; F126-I136 HydrophobicContact CE1-CD1 4.4Å; F126-V152 HydrophobicContact CD2-CB 4.2Å; F126-V152 HydrophobicContact CD2-CG1 3.88Å; F126-V152 HydrophobicContact CD2-CG2 3.83Å; F126-V152 HydrophobicContact CE2-CB 4.36Å; F126-V152 HydrophobicContact CE2-CG1 4.09Å; F126-V152 HydrophobicContact CE2-CG2 4.37Å; F126-V152 HydrophobicContact CG-CG1 4.17Å; F126-V176 HydrophobicContact CB-CB 4.5Å; F126-V176 HydrophobicContact CB-CG1 4.27Å; F126-V176 HydrophobicContact CB-CG2 4.13Å; F126-A180 HydrophobicContact CB-CB 4.07Å; F126-A180 HydrophobicContact CD1-CB 3.41Å; F126-A180 VanDerWaalsContact CD1-CB 3.41Å; F126-A180 HydrophobicContact CE1-CB 4Å; F126-A180 HydrophobicContact CG-CB 3.86Å; F126-M184 HydrophobicContact CE1-CG 3.9Å; F126-M184 HydrophobicContact CE1-SD 4.02Å; F126-M184 HydrophobicContact CZ-CG 4.23Å; F126-M184 HydrophobicContact CZ-SD 4.21Å
127S94.7Very high96Very high34 Ų3459.4 Ų59.424%0.23831%0.306CS..G310 helixtrans-72.7-24.3172.466.50000112.6D125 G129 N175D125-S127 PolarHBondContact O-N 3.18Å; D125-S127 VanDerWaalsContact O-N 3.17Å; D125-S127 WeakPolarHBondContact OD1-CB 3.49Å; D125-S127 PolarHBondContact OD1-N 2.78Å; D125-S127 PolarHBondContact OD1-OG 2.9Å; D125-S127 PolarHBondContact OD2-OG 2.87Å; S127-G129 PolarHBondContact O-N 2.84Å; S127-N175 PolarHBondContact O-ND2 3.44Å
128S91.7Very high95.9Very high78 Ų7863.5 Ų63.555%0.54532%0.324SS..G310 helixtrans-71.82.6-177.5-51.40000114.7D125 F126D125-S128 WeakPolarHBondContact O-CB 3.16Å; D125-S128 PolarHBondContact O-N 3Å; D125-S128 VanDerWaalsContact O-N 3.08Å; D125-S128 PolarHBondContact O-OG 3.04Å; F126-S128 VanDerWaalsContact C-N 3.3Å
129G89.6Confident95.8Very high17 Ų1761.3 Ų61.318%0.17532%0.322CS..G310 helixtrans81.4-143.5172.700000114S127 E131 Y133S127-G129 PolarHBondContact O-N 2.84Å; G129-E131 PolarHBondContact O-N 3.19Å; G129-Y133 VanDerWaalsContact O-CE2 3.25Å; G129-Y133 WeakPolarHBondContact O-CE2 3.31Å
130R92.3Very high95.8Very high220 Ų22059.8 Ų59.883%0.8331%0.313SS*.G310 helixtrans-75.8-23.1-163.8-175.6177.5175.6-173.5-1114.7I132 Y133R130-I132 VanDerWaalsContact C-N 3.29Å; R130-I132 PolarHBondContact O-N 2.69Å; R130-Y133 VanDerWaalsContact O-CD2 3.32Å; R130-Y133 WeakPolarHBondContact O-CD2 3.46Å; R130-Y133 PolarHBondContact O-N 2.96Å
131E92.2Very high95.4Very high169 Ų16964.1 Ų64.179%0.7933%0.329SS*.G310 helixtrans-69.5-27.4-166.8-61.3-178.1-179.100113.1G129 Y133 P135G129-E131 PolarHBondContact O-N 3.19Å; E131-Y133 VanDerWaalsContact C-N 3.29Å; E131-Y133 PolarHBondContact O-N 3.12Å; E131-P135 VanDerWaalsContact O-CD 3.23Å; E131-P135 WeakPolarHBondContact O-CD 3.33Å
132I95.8Very high95Very high25 Ų2569.1 Ų69.113%0.12836%0.356CS..G310 helixtrans-68.5-22.9-17767169.4000114A124 F126 R130 L134 P135 I136A124-I132 HydrophobicContact CB-CB 4.44Å; A124-I132 HydrophobicContact CB-CD1 4.31Å; F126-I132 HydrophobicContact CB-CD1 4.35Å; F126-I132 HydrophobicContact CD1-CD1 3.49Å; F126-I132 VanDerWaalsContact CD1-CD1 3.49Å; F126-I132 HydrophobicContact CE1-CD1 3.95Å; F126-I132 HydrophobicContact CG-CD1 4Å; R130-I132 VanDerWaalsContact C-N 3.29Å; R130-I132 PolarHBondContact O-N 2.69Å; I132-L134 PolarHBondContact O-N 2.87Å; I132-P135 WeakPolarHBondContact O-CD 3.28Å; I132-I136 HydrophobicContact CB-CD1 4.35Å; I132-I136 HydrophobicContact CD1-CD1 4.25Å; I132-I136 HydrophobicContact CG1-CD1 4.22Å; I132-I136 WeakPolarHBondContact O-CD1 3.44Å; I132-I136 WeakPolarHBondContact O-CG1 3.33Å; I132-I136 PolarHBondContact O-N 3.2Å
133Y96.8Very high94.8Very high17 Ų1772.3 Ų72.37%0.06737%0.367CS..Hα-helixtrans-78.9-22.6-169.8-60.1-80.5000113.4F126 G129 R130 E131 I136 R137 A180 L183 M184F126-Y133 HydrophobicContact CD1-CE1 4.16Å; F126-Y133 AromaticContact CE1-CE1 3.98Å; F126-Y133 HydrophobicContact CE1-CE1 3.98Å; G129-Y133 VanDerWaalsContact O-CE2 3.25Å; G129-Y133 WeakPolarHBondContact O-CE2 3.31Å; R130-Y133 VanDerWaalsContact O-CD2 3.32Å; R130-Y133 WeakPolarHBondContact O-CD2 3.46Å; R130-Y133 PolarHBondContact O-N 2.96Å; E131-Y133 VanDerWaalsContact C-N 3.29Å; E131-Y133 PolarHBondContact O-N 3.12Å; Y133-I136 HydrophobicContact CD1-CD1 4.47Å; Y133-R137 VanDerWaalsContact O-CB 3.3Å; Y133-R137 WeakPolarHBondContact O-CB 3.28Å; Y133-R137 PolarHBondContact O-N 3.13Å; Y133-A180 WeakPolarHBondContact OH-CA 3.46Å; Y133-A180 PolarHBondContact OH-N 3.23Å; Y133-L183 HydrophobicContact CD1-CB 3.59Å; Y133-L183 HydrophobicContact CD2-CB 4.2Å; Y133-L183 HydrophobicContact CD2-CD1 3.64Å; Y133-L183 HydrophobicContact CD2-CG 4.49Å; Y133-L183 HydrophobicContact CE1-CB 3.4Å; Y133-L183 HydrophobicContact CE1-CD1 4.17Å; Y133-L183 HydrophobicContact CE1-CG 4.42Å; Y133-L183 HydrophobicContact CE2-CB 4.07Å; Y133-L183 HydrophobicContact CE2-CD1 3.24Å; Y133-L183 HydrophobicContact CE2-CG 4.28Å; Y133-L183 HydrophobicContact CG-CB 4Å; Y133-L183 HydrophobicContact CG-CD1 4.29Å; Y133-M184 HydrophobicContact CD1-SD 4.3Å; Y133-M184 HydrophobicContact CE1-CG 4.34Å; Y133-M184 HydrophobicContact CE1-SD 4.36Å
134L95.6Very high94.6Very high115 Ų11571.4 Ų71.460%0.60236%0.36SS*.Hα-helixtrans-69.5-52.3175.3176.268.4000110.7I132 I136 R137 E138I132-L134 PolarHBondContact O-N 2.87Å; L134-I136 VanDerWaalsContact C-N 3.31Å; L134-I136 PolarHBondContact O-N 2.8Å; L134-R137 WeakPolarHBondContact O-CB 3.33Å; L134-R137 PolarHBondContact O-N 3.28Å; L134-R137 VanDerWaalsContact O-N 3.13Å; L134-E138 PolarHBondContact O-N 3.04Å; L134-E138 VanDerWaalsContact O-N 3.08Å
135P96.4Very high94.7Very high83 Ų8371.3 Ų71.354%0.53936%0.358SS..Hα-helixtrans-55.3-42.6171.4-26.533.6000113.6E131 I132 R137 E138 A139E131-P135 VanDerWaalsContact O-CD 3.23Å; E131-P135 WeakPolarHBondContact O-CD 3.33Å; I132-P135 WeakPolarHBondContact O-CD 3.28Å; P135-R137 VanDerWaalsContact C-N 3.34Å; P135-R137 PolarHBondContact O-N 3.23Å; P135-E138 PolarHBondContact O-N 2.83Å; P135-A139 WeakPolarHBondContact O-CB 3.5Å; P135-A139 PolarHBondContact O-N 3.42Å
136I97.6Very high94.8Very high1 Ų169 Ų691%0.00535%0.346CS..Hα-helixtrans-60.6-44176.6-67.1164.5000110.7I97 I122 A124 F126 I132 Y133 L134 E138 A139 L140 M184 V187I97-I136 HydrophobicContact CD1-CG2 4.2Å; I122-I136 HydrophobicContact CG2-CG1 3.93Å; A124-I136 HydrophobicContact CB-CD1 3.97Å; A124-I136 HydrophobicContact CB-CG1 4.46Å; F126-I136 HydrophobicContact CE1-CD1 4.4Å; I132-I136 HydrophobicContact CB-CD1 4.35Å; I132-I136 HydrophobicContact CD1-CD1 4.25Å; I132-I136 HydrophobicContact CG1-CD1 4.22Å; I132-I136 WeakPolarHBondContact O-CD1 3.44Å; I132-I136 WeakPolarHBondContact O-CG1 3.33Å; I132-I136 PolarHBondContact O-N 3.2Å; Y133-I136 HydrophobicContact CD1-CD1 4.47Å; L134-I136 VanDerWaalsContact C-N 3.31Å; L134-I136 PolarHBondContact O-N 2.8Å; I136-E138 PolarHBondContact O-N 3.43Å; I136-A139 PolarHBondContact O-N 2.98Å; I136-L140 HydrophobicContact CG2-CD1 3.77Å; I136-L140 HydrophobicContact CG2-CG 4.35Å; I136-L140 VanDerWaalsContact O-CG 3.24Å; I136-L140 WeakPolarHBondContact O-CG 3.32Å; I136-L140 PolarHBondContact O-N 3.24Å; I136-L140 VanDerWaalsContact O-N 3.16Å; I136-M184 HydrophobicContact CD1-SD 4.18Å; I136-M184 HydrophobicContact CG2-CE 3.94Å; I136-M184 HydrophobicContact CG2-SD 3.9Å; I136-V187 HydrophobicContact CG2-CG1 4.48Å
137R97.2Very high94.9Very high84 Ų8468.8 Ų68.832%0.31735%0.345SS..Hα-helixtrans-60.5-46.2179179.5-178.2-65.6-87.5-5111.7Y133 L134 P135 L140 K141 H186 V187Y133-R137 VanDerWaalsContact O-CB 3.3Å; Y133-R137 WeakPolarHBondContact O-CB 3.28Å; Y133-R137 PolarHBondContact O-N 3.13Å; L134-R137 WeakPolarHBondContact O-CB 3.33Å; L134-R137 PolarHBondContact O-N 3.28Å; L134-R137 VanDerWaalsContact O-N 3.13Å; P135-R137 VanDerWaalsContact C-N 3.34Å; P135-R137 PolarHBondContact O-N 3.23Å; R137-L140 PolarHBondContact O-N 3.32Å; R137-K141 PolarHBondContact O-N 3.47Å; R137-K141 VanDerWaalsContact O-N 3.15Å; R137-H186 PolarHBondContact NH2-O 3.36Å; R137-H186 VanDerWaalsContact NH2-O 3.13Å; R137-V187 HydrophobicContact CB-CG1 4.07Å; R137-V187 HydrophobicContact CB-CG2 4.36Å; R137-V187 HydrophobicContact CG-CG1 4.42Å
138E96.1Very high95.1Very high103 Ų10367.1 Ų67.148%0.48133%0.333SS..Hα-helixtrans-64-41.6179.1-65.8-52.2132.600111.5L134 P135 I136 L140 K141L134-E138 PolarHBondContact O-N 3.04Å; L134-E138 VanDerWaalsContact O-N 3.08Å; P135-E138 PolarHBondContact O-N 2.83Å; I136-E138 PolarHBondContact O-N 3.43Å; E138-L140 PolarHBondContact O-N 2.81Å; E138-K141 WeakPolarHBondContact O-CB 3.48Å; E138-K141 PolarHBondContact O-N 3.38Å
139A96.3Very high95.4Very high49 Ų4963.4 Ų63.441%0.40531%0.307SS..Hα-helixtrans-62.8-26.717700000113.8I122 P135 I136I122-A139 HydrophobicContact CD1-CB 3.82Å; I122-A139 HydrophobicContact CG1-CB 4.32Å; P135-A139 WeakPolarHBondContact O-CB 3.5Å; P135-A139 PolarHBondContact O-N 3.42Å; I136-A139 PolarHBondContact O-N 2.98Å
140L96.9Very high95.9Very high10 Ų1062.9 Ų62.95%0.05230%0.301CS..Hα-helixtrans-96.7-10.5-177.6-63179.6000114.1V71 I95 I122 I136 R137 E138 D142 R143 I145 M184 V187 V188V71-L140 HydrophobicContact CG2-CD1 4.2Å; V71-L140 HydrophobicContact CG2-CD2 3.75Å; I95-L140 HydrophobicContact CD1-CD2 3.46Å; I95-L140 VanDerWaalsContact CD1-CD2 3.46Å; I95-L140 HydrophobicContact CG2-CD2 4.2Å; I122-L140 HydrophobicContact CD1-CD2 3.98Å; I122-L140 HydrophobicContact CD1-CG 4.26Å; I136-L140 HydrophobicContact CG2-CD1 3.77Å; I136-L140 HydrophobicContact CG2-CG 4.35Å; I136-L140 VanDerWaalsContact O-CG 3.24Å; I136-L140 WeakPolarHBondContact O-CG 3.32Å; I136-L140 PolarHBondContact O-N 3.24Å; I136-L140 VanDerWaalsContact O-N 3.16Å; R137-L140 PolarHBondContact O-N 3.32Å; E138-L140 PolarHBondContact O-N 2.81Å; L140-D142 PolarHBondContact O-N 2.94Å; L140-R143 PolarHBondContact O-N 3.27Å; L140-I145 HydrophobicContact CB-CG1 4.42Å; L140-I145 HydrophobicContact CD2-CD1 4.02Å; L140-I145 HydrophobicContact CD2-CG1 4.44Å; L140-M184 HydrophobicContact CD1-CE 4.38Å; L140-V187 HydrophobicContact CD1-CG1 3.98Å; L140-V188 HydrophobicContact CD1-CG1 4.09Å
141K91.3Very high96.1Very high144 Ų14453.6 Ų53.663%0.62627%0.267SS*.THydrogen-bonded Turntrans-57-42.8-165.8-175.1-178.7176.4-176.60114.4R137 E138R137-K141 PolarHBondContact O-N 3.47Å; R137-K141 VanDerWaalsContact O-N 3.15Å; E138-K141 WeakPolarHBondContact O-CB 3.48Å; E138-K141 PolarHBondContact O-N 3.38Å
142D89.3Confident96.2Very high149 Ų14947 Ų4780%0.79724%0.239SC*.THydrogen-bonded Turntrans-99.410.5-174.3-58.1-42.1000113.2L140L140-D142 PolarHBondContact O-N 2.94Å
143R93.4Very high96Very high88 Ų8846.8 Ų46.833%0.33224%0.243SC..SBendtrans-99.3138.5-178.9-57.2-68.2-163.7179.87.2110.3I95 D120 L140 I145I95-R143 HydrophobicContact CD1-CG 4.18Å; D120-R143 IonicContact OD2-CZ 3.57Å; D120-R143 IonicContact OD2-NE 2.87Å; D120-R143 IonicContact OD2-NH2 3.3Å; D120-R143 PolarHBondContact OD2-NH2 3.5Å; L140-R143 PolarHBondContact O-N 3.27Å; R143-I145 HydrophobicContact CB-CD1 3.43Å; R143-I145 VanDerWaalsContact CB-CD1 3.43Å; R143-I145 HydrophobicContact CB-CG1 4.05Å; R143-I145 HydrophobicContact CG-CD1 4.39Å; R143-I145 PolarHBondContact O-N 2.82Å
144D95Very high95.8Very high53 Ų5347.3 Ų47.328%0.28325%0.247SC..  trans-73.973.2169.617836.9000110.7G67 R68 W69 G146 R195G67-D144 WeakPolarHBondContact CA-OD2 3.32Å; R68-D144 PolarHBondContact N-OD2 3.45Å; W69-D144 WeakPolarHBondContact CB-O 3.12Å; W69-D144 PolarHBondContact N-O 2.91Å; D144-G146 PolarHBondContact O-N 3.46Å; D144-R195 IonicContact OD1-CZ 2.81Å; D144-R195 IonicContact OD1-NE 2.94Å; D144-R195 PolarHBondContact OD1-NE 3.37Å; D144-R195 IonicContact OD1-NH2 3.82Å
145I98.2Very high95.6Very high5 Ų544.4 Ų44.43%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-70.2102.1178.9-53.4-49.9000109.2W69 V71 I95 L140 R143 V188 M192 R195W69-I145 HydrophobicContact CB-CD1 3.77Å; V71-I145 HydrophobicContact CG2-CD1 3.8Å; V71-I145 HydrophobicContact CG2-CG1 4.28Å; V71-I145 HydrophobicContact CG2-CG2 3.74Å; I95-I145 HydrophobicContact CD1-CD1 3.77Å; L140-I145 HydrophobicContact CB-CG1 4.42Å; L140-I145 HydrophobicContact CD2-CD1 4.02Å; L140-I145 HydrophobicContact CD2-CG1 4.44Å; R143-I145 HydrophobicContact CB-CD1 3.43Å; R143-I145 VanDerWaalsContact CB-CD1 3.43Å; R143-I145 HydrophobicContact CB-CG1 4.05Å; R143-I145 HydrophobicContact CG-CD1 4.39Å; R143-I145 PolarHBondContact O-N 2.82Å; I145-V188 HydrophobicContact CG2-CB 4.32Å; I145-V188 HydrophobicContact CG2-CG1 4.12Å; I145-M192 HydrophobicContact CG2-CE 4.02Å; I145-R195 PolarHBondContact O-NH2 3.42Å
146G98Very high95.3Very high0 Ų040.8 Ų40.80%021%0.206CC..EExtended strand (participates in β ladder)trans-89.9-35.4178.400000113.3Y66 W69 D144 G198 A199Y66-G146 VanDerWaalsContact C-CA 3.45Å; Y66-G146 WeakPolarHBondContact O-CA 3.47Å; W69-G146 PolarHBondContact O-N 3.01Å; D144-G146 PolarHBondContact O-N 3.46Å; G146-G198 CarbonylContact O-C 3.53Å; G146-G198 VanDerWaalsContact O-CA 3.26Å; G146-G198 WeakPolarHBondContact O-CA 3.43Å; G146-A199 PolarHBondContact O-N 3.29Å
147I98.8Very high94.8Very high0 Ų044.9 Ų44.90%023%0.232CC..EExtended strand (participates in β ladder)trans-129.5132.6-176.4-53.7-175.9000110.4L62 Y66 W69 A70 V71 L87 L92 V149 A199 L283L62-I147 HydrophobicContact CB-CD1 4.46Å; L62-I147 HydrophobicContact CD1-CD1 4.36Å; Y66-I147 HydrophobicContact CD2-CD1 4.11Å; Y66-I147 HydrophobicContact CD2-CG1 4.36Å; Y66-I147 HydrophobicContact CG-CG1 4.33Å; W69-I147 PolarHBondContact O-N 2.8Å; W69-I147 VanDerWaalsContact O-N 3.16Å; A70-I147 CarbonylContact C-O 3.48Å; A70-I147 VanDerWaalsContact CA-O 3.24Å; A70-I147 WeakPolarHBondContact CA-O 3.36Å; A70-I147 HydrophobicContact CB-CB 3.96Å; V71-I147 PolarHBondContact N-O 3.1Å; L87-I147 HydrophobicContact CD1-CG2 4.42Å; L87-I147 HydrophobicContact CD2-CD1 4.08Å; L92-I147 HydrophobicContact CD2-CD1 3.55Å; L92-I147 HydrophobicContact CD2-CG1 4.02Å; I147-V149 HydrophobicContact CG2-CG2 4.04Å; I147-A199 CarbonylContact C-O 3.55Å; I147-A199 VanDerWaalsContact CA-O 3.29Å; I147-A199 WeakPolarHBondContact CA-O 3.24Å; I147-A199 HydrophobicContact CG1-CB 4.32Å; I147-L283 HydrophobicContact CD1-CD2 3.94Å
148L98.9Very high94.4Very high0 Ų044.1 Ų44.10%023%0.23CC..EExtended strand (participates in β ladder)trans-112.8127.7165.8170.866000109.7V71 M184 V185 V188 M192 A199 I200 V201V71-L148 HydrophobicContact CB-CD1 4.01Å; V71-L148 HydrophobicContact CG1-CD1 4Å; V71-L148 CarbonylContact O-C 3.57Å; L148-M184 HydrophobicContact CD1-CB 4.32Å; L148-M184 HydrophobicContact CD1-CE 4.02Å; L148-M184 HydrophobicContact CD2-CB 3.97Å; L148-V185 HydrophobicContact CD2-CG2 4Å; L148-V188 HydrophobicContact CB-CG2 3.95Å; L148-V188 HydrophobicContact CD2-CG2 3.55Å; L148-V188 HydrophobicContact CG-CG2 4.31Å; L148-M192 HydrophobicContact CB-CE 4.3Å; L148-A199 PolarHBondContact N-O 3.46Å; L148-I200 HydrophobicContact CB-CG1 4.44Å; L148-I200 CarbonylContact O-C 3.6Å; L148-I200 WeakPolarHBondContact O-CA 3.46Å; L148-V201 PolarHBondContact O-N 2.65Å
149V98.8Very high94.2Very high0 Ų039.5 Ų39.50%021%0.209CC..EExtended strand (participates in β ladder)trans-111.9101.5173.3-172.50000109.5V71 V72 S73 Y83 L87 I147 N151 V201V71-V149 PolarHBondContact O-N 3.33Å; V72-V149 HydrophobicContact CB-CB 4.38Å; V72-V149 HydrophobicContact CG1-CB 4.11Å; V72-V149 HydrophobicContact CG1-CG1 4.3Å; V72-V149 HydrophobicContact CG2-CB 4.11Å; V72-V149 HydrophobicContact CG2-CG2 4.1Å; S73-V149 PolarHBondContact N-O 2.7Å; S73-V149 PolarHBondContact OG-O 3Å; Y83-V149 HydrophobicContact CD1-CG1 4.04Å; Y83-V149 HydrophobicContact CD1-CG2 3.76Å; Y83-V149 HydrophobicContact CE1-CG1 4.29Å; Y83-V149 HydrophobicContact CE1-CG2 3.66Å; Y83-V149 HydrophobicContact CG-CG1 4.31Å; L87-V149 HydrophobicContact CD1-CG2 3.95Å; I147-V149 HydrophobicContact CG2-CG2 4.04Å; V149-N151 HydrophobicContact CG1-CB 4.17Å; V149-N151 PolarHBondContact O-N 2.92Å; V149-V201 CarbonylContact C-O 3.46Å; V149-V201 WeakPolarHBondContact CA-O 3.4Å; V149-V201 HydrophobicContact CG2-CB 4.42Å
150N98.3Very high94.1Very high6 Ų637.9 Ų37.93%0.03219%0.193CC..EExtended strand (participates in β ladder)trans-80.389171.6-71.5-39.2000109.5S73 A181 M184 V185 V201 T202 I203S73-N150 WeakPolarHBondContact OG-CA 3.31Å; N150-A181 HydrophobicContact CB-CB 4.1Å; N150-A181 PolarHBondContact ND2-O 3.33Å; N150-M184 WeakPolarHBondContact OD1-CB 3.18Å; N150-V185 WeakPolarHBondContact ND2-CG2 3.44Å; N150-V201 PolarHBondContact N-O 3.39Å; N150-T202 HydrophobicContact CB-CG2 4.17Å; N150-I203 PolarHBondContact O-N 3.34Å
151N97.5Very high94Very high24 Ų2442.6 Ų42.613%0.12821%0.211CC..  trans-111.7-24.5-179161.687.1000113.1S73 G74 G80 V149 G153 I203S73-N151 VanDerWaalsContact O-CB 3.29Å; S73-N151 WeakPolarHBondContact O-CB 3.21Å; S73-N151 PolarHBondContact O-ND2 2.84Å; S73-N151 PolarHBondContact OG-N 3.35Å; G74-N151 PolarHBondContact O-ND2 2.87Å; G74-N151 VanDerWaalsContact O-ND2 3.16Å; G80-N151 WeakPolarHBondContact CA-ND2 3.32Å; G80-N151 PolarHBondContact N-ND2 2.95Å; G80-N151 PolarHBondContact N-OD1 3.44Å; V149-N151 HydrophobicContact CG1-CB 4.17Å; V149-N151 PolarHBondContact O-N 2.92Å; N151-G153 PolarHBondContact O-N 3.47Å; N151-I203 HydrophobicContact CB-CB 4.45Å; N151-I203 HydrophobicContact CB-CG1 3.69Å
152V93.5Very high94.1Very high31 Ų3141.2 Ų41.219%0.18821%0.205CC..  trans-53.3138.8-178.172.80000111.2S73 F126 V176 A180S73-V152 PolarHBondContact O-N 3.07Å; S73-V152 PolarHBondContact OG-N 3.12Å; F126-V152 HydrophobicContact CD2-CB 4.2Å; F126-V152 HydrophobicContact CD2-CG1 3.88Å; F126-V152 HydrophobicContact CD2-CG2 3.83Å; F126-V152 HydrophobicContact CE2-CB 4.36Å; F126-V152 HydrophobicContact CE2-CG1 4.09Å; F126-V152 HydrophobicContact CE2-CG2 4.37Å; F126-V152 HydrophobicContact CG-CG1 4.17Å; V152-V176 HydrophobicContact CB-CG1 4.47Å; V152-V176 HydrophobicContact CG1-CG1 4.23Å; V152-V176 HydrophobicContact CG2-CG1 3.7Å; V152-A180 HydrophobicContact CG1-CB 3.83Å
153G92.3Very high94.5Very high21 Ų2140.4 Ų40.422%0.21621%0.206CC..  trans-170.2150.6-179.500000112N151 N177 M255N151-G153 PolarHBondContact O-N 3.47Å; G153-N177 WeakPolarHBondContact CA-OD1 3.41Å; G153-M255 WeakPolarHBondContact O-CE 3.42Å
154V92.8Very high94.5Very high27 Ų2741.4 Ų41.416%0.16421%0.214CC..  trans-114.5145.7170.3-65.80000110.1D172 I173 V176 N177 F218V154-D172 HydrophobicContact CG2-CB 4.21Å; V154-I173 HydrophobicContact CG2-CG1 4.02Å; V154-V176 HydrophobicContact CG1-CB 4.2Å; V154-V176 HydrophobicContact CG1-CG1 4.08Å; V154-V176 HydrophobicContact CG1-CG2 4.19Å; V154-V176 HydrophobicContact CG2-CB 4.12Å; V154-N177 PolarHBondContact N-OD1 3.24Å; V154-N177 PolarHBondContact O-ND2 3.46Å; V154-N177 PolarHBondContact O-OD1 3.06Å; V154-F218 VanDerWaalsContact O-CD2 3.32Å; V154-F218 WeakPolarHBondContact O-CD2 3.28Å; V154-F218 WeakPolarHBondContact O-CE2 3.27Å
155F91Very high94.4Very high55 Ų5539.7 Ų39.724%0.24120%0.204CC..  trans-111.1170.6172.5-166.9-113.3000110K169 L215 F218 M255F155-K169 WeakPolarHBondContact O-CE 3.33Å; F155-K169 PolarHBondContact O-NZ 2.95Å; F155-L215 HydrophobicContact CE1-CD2 4.06Å; F155-L215 HydrophobicContact CE2-CD1 3.95Å; F155-L215 HydrophobicContact CE2-CD2 3.63Å; F155-L215 HydrophobicContact CE2-CG 4.39Å; F155-L215 HydrophobicContact CZ-CD1 3.68Å; F155-L215 HydrophobicContact CZ-CD2 3.28Å; F155-L215 HydrophobicContact CZ-CG 4.14Å; F155-F218 HydrophobicContact CB-CE2 4.47Å; F155-F218 AromaticContact CD2-CD1 3.77Å; F155-F218 HydrophobicContact CD2-CD1 3.77Å; F155-F218 AromaticContact CD2-CD2 3.65Å; F155-F218 HydrophobicContact CD2-CD2 3.65Å; F155-F218 AromaticContact CD2-CE1 3.72Å; F155-F218 HydrophobicContact CD2-CE1 3.72Å; F155-F218 AromaticContact CD2-CE2 3.61Å; F155-F218 HydrophobicContact CD2-CE2 3.61Å; F155-F218 AromaticContact CD2-CG 3.73Å; F155-F218 HydrophobicContact CD2-CG 3.73Å; F155-F218 AromaticContact CD2-CZ 3.63Å; F155-F218 HydrophobicContact CD2-CZ 3.63Å; F155-F218 AromaticContact CE2-CD1 3.62Å; F155-F218 HydrophobicContact CE2-CD1 3.62Å; F155-F218 HydrophobicContact CE2-CD2 4.33Å; F155-F218 AromaticContact CE2-CE1 3.69Å; F155-F218 HydrophobicContact CE2-CE1 3.69Å; F155-F218 HydrophobicContact CE2-CE2 4.41Å; F155-F218 AromaticContact CE2-CG 3.95Å; F155-F218 HydrophobicContact CE2-CG 3.95Å; F155-F218 HydrophobicContact CE2-CZ 4.09Å; F155-M255 HydrophobicContact CB-CE 4.39Å; F155-M255 HydrophobicContact CB-CG 3.95Å; F155-M255 HydrophobicContact CB-SD 3.74Å; F155-M255 HydrophobicContact CG-SD 4.45Å
156Y90.9Very high94.3Very high7 Ų742.6 Ų42.63%0.02723%0.225CC..  trans-65.3156.6169.6-71.931.8000108.9Y158 Q160 L165 I173 L215 A217 F218Y156-Y158 VanDerWaalsContact CB-O 3.3Å; Y156-Y158 WeakPolarHBondContact CB-O 3.23Å; Y156-Y158 PolarHBondContact O-N 3.31Å; Y156-Q160 HydrophobicContact CD2-CG 3.83Å; Y156-Q160 HydrophobicContact CE2-CG 4.31Å; Y156-L165 HydrophobicContact CD2-CD1 4.02Å; Y156-L165 HydrophobicContact CE1-CD2 4.02Å; Y156-L165 HydrophobicContact CE2-CD1 4.09Å; Y156-L165 HydrophobicContact CE2-CD2 4Å; Y156-L165 HydrophobicContact CG-CD1 4.23Å; Y156-I173 HydrophobicContact CD1-CD1 3.84Å; Y156-I173 HydrophobicContact CE1-CD1 3.41Å; Y156-I173 VanDerWaalsContact CE1-CD1 3.41Å; Y156-L215 HydrophobicContact CD1-CD2 4.4Å; Y156-L215 HydrophobicContact CD2-CD2 4.01Å; Y156-L215 HydrophobicContact CG-CD2 3.98Å; Y156-A217 HydrophobicContact CE1-CB 4.37Å; Y156-A217 WeakPolarHBondContact OH-CB 3.35Å; Y156-A217 PolarHBondContact OH-N 2.93Å; Y156-F218 HydrophobicContact CD1-CB 3.98Å; Y156-F218 HydrophobicContact CE1-CB 3.68Å
157P86.4Confident94.2Very high86 Ų8649 Ų4956%0.55826%0.256SS*.SBendtrans-55.5-40.9171.5-24.835000111.9
158Y88.8Confident94Very high69 Ų6954.9 Ų54.927%0.27129%0.287SS..SBendtrans-157.9166.2168.846.7-98.3000108.1Y156 Q160 R322 A325 L326Y156-Y158 VanDerWaalsContact CB-O 3.3Å; Y156-Y158 WeakPolarHBondContact CB-O 3.23Å; Y156-Y158 PolarHBondContact O-N 3.31Å; Y158-Q160 HydrophobicContact CD2-CB 4.14Å; Y158-Q160 HydrophobicContact CE2-CB 3.97Å; Y158-Q160 PolarHBondContact O-N 2.9Å; Y158-Q160 VanDerWaalsContact O-N 3.09Å; Y158-R322 HydrophobicContact CD2-CG 3.95Å; Y158-R322 HydrophobicContact CE2-CG 4.29Å; Y158-A325 HydrophobicContact CD1-CB 4.07Å; Y158-A325 HydrophobicContact CG-CB 4Å; Y158-L326 HydrophobicContact CE1-CD2 4.07Å; Y158-L326 HydrophobicContact CE2-CD2 4.25Å
159P92.4Very high93.8Very high5 Ų556.6 Ų56.63%0.03229%0.294CS..SBendtrans-58.9118.6176.9-23.834.7000110.8Q214 L215 N318 L321 R322P159-Q214 HydrophobicContact CB-CB 4.14Å; P159-L215 HydrophobicContact CB-CD2 4.14Å; P159-L215 HydrophobicContact CB-CG 4.31Å; P159-L215 HydrophobicContact CG-CD2 4.33Å; P159-N318 HydrophobicContact CB-CB 3.64Å; P159-N318 HydrophobicContact CG-CB 4.08Å; P159-L321 HydrophobicContact CG-CB 3.98Å; P159-L321 HydrophobicContact CG-CD1 4.33Å; P159-R322 VanDerWaalsContact O-CZ 3.28Å; P159-R322 PolarHBondContact O-NE 2.99Å; P159-R322 PolarHBondContact O-NH2 3.3Å; P159-R322 VanDerWaalsContact O-NH2 3.12Å
160Q93.2Very high93.7Very high16 Ų1658.6 Ų58.68%0.07530%0.304CS..  trans-138.7159.7-175.263.9-178.635.700111.8Y156 Y158 Q164 L165 Q214 R322Y156-Q160 HydrophobicContact CD2-CG 3.83Å; Y156-Q160 HydrophobicContact CE2-CG 4.31Å; Y158-Q160 HydrophobicContact CD2-CB 4.14Å; Y158-Q160 HydrophobicContact CE2-CB 3.97Å; Y158-Q160 PolarHBondContact O-N 2.9Å; Y158-Q160 VanDerWaalsContact O-N 3.09Å; Q160-Q164 PolarHBondContact NE2-O 2.92Å; Q160-L165 HydrophobicContact CG-CD1 4.35Å; Q160-Q214 PolarHBondContact N-O 2.98Å; Q160-Q214 CarbonylContact O-C 3.29Å; Q160-Q214 VanDerWaalsContact O-C 3.29Å; Q160-Q214 WeakPolarHBondContact O-CA 3.27Å; Q160-R322 VanDerWaalsContact C-NH2 3.34Å
161Y94.6Very high93.6Very high108 Ų10864.6 Ų64.642%0.42433%0.327SS..  trans-67.7151.1177.5-68.6-69.4000110.6T163 Q164 Q214 R322Y161-T163 VanDerWaalsContact C-N 3.27Å; Y161-T163 PolarHBondContact O-N 3.46Å; Y161-Q164 WeakPolarHBondContact O-CB 3.33Å; Y161-Q164 PolarHBondContact O-N 3.35Å; Y161-Q214 HydrophobicContact CD1-CG 4.26Å; Y161-Q214 HydrophobicContact CE1-CG 4.11Å; Y161-R322 VanDerWaalsContact CD2-NH1 3.3Å
162F95Very high93.5Very high116 Ų11665.9 Ų65.951%0.50933%0.334SS..G310 helixtrans-58.2-39.8-174.5-177.4-102.6000112.5Q164 L165 L170 A216 A217F162-Q164 PolarHBondContact O-N 3.38Å; F162-Q164 VanDerWaalsContact O-N 3.15Å; F162-L165 WeakPolarHBondContact O-CB 3.2Å; F162-L165 PolarHBondContact O-N 2.79Å; F162-L165 VanDerWaalsContact O-N 3.15Å; F162-L170 HydrophobicContact CD2-CD2 4.49Å; F162-L170 HydrophobicContact CE2-CD1 4.46Å; F162-L170 HydrophobicContact CE2-CD2 3.61Å; F162-L170 HydrophobicContact CZ-CD1 4.22Å; F162-L170 HydrophobicContact CZ-CD2 4.12Å; F162-A216 HydrophobicContact CD2-CB 4.47Å; F162-A217 HydrophobicContact CE2-CB 4.49Å
163T95.8Very high93.7Very high132 Ų13264.5 Ų64.581%0.8133%0.325SS*.G310 helixtrans-65.7-12.7177.553.30000114.5Y161Y161-T163 VanDerWaalsContact C-N 3.27Å; Y161-T163 PolarHBondContact O-N 3.46Å
164Q94.1Very high93.9Very high109 Ų10967 Ų6751%0.50933%0.333SS..G310 helixtrans-96.8-6.1179.4-58.3176.1-46.300112.2Q160 Y161 F162Q160-Q164 PolarHBondContact NE2-O 2.92Å; Y161-Q164 WeakPolarHBondContact O-CB 3.33Å; Y161-Q164 PolarHBondContact O-N 3.35Å; F162-Q164 PolarHBondContact O-N 3.38Å; F162-Q164 VanDerWaalsContact O-N 3.15Å
165L94.1Very high94.1Very high16 Ų1667.3 Ų67.38%0.08433%0.334CS..SBendtrans-84.1130.7179-159.269.9000109.3Y156 Q160 F162 K169 L170 I173Y156-L165 HydrophobicContact CD2-CD1 4.02Å; Y156-L165 HydrophobicContact CE1-CD2 4.02Å; Y156-L165 HydrophobicContact CE2-CD1 4.09Å; Y156-L165 HydrophobicContact CE2-CD2 4Å; Y156-L165 HydrophobicContact CG-CD1 4.23Å; Q160-L165 HydrophobicContact CG-CD1 4.35Å; F162-L165 WeakPolarHBondContact O-CB 3.2Å; F162-L165 PolarHBondContact O-N 2.79Å; F162-L165 VanDerWaalsContact O-N 3.15Å; L165-K169 HydrophobicContact CD1-CB 4.03Å; L165-K169 HydrophobicContact CD1-CG 3.54Å; L165-K169 HydrophobicContact CD2-CG 4.39Å; L165-K169 HydrophobicContact CG-CB 4.02Å; L165-K169 HydrophobicContact CG-CG 3.98Å; L165-L170 HydrophobicContact CD2-CD2 3.54Å; L165-L170 HydrophobicContact CD2-CG 3.9Å; L165-L170 HydrophobicContact CG-CG 4.43Å; L165-I173 HydrophobicContact CD2-CD1 4Å
166S95.4Very high94.4Very high66 Ų6665 Ų6546%0.46232%0.324SS..  trans-66.6154.6174.561.30000111.1D168 K169 L170S166-D168 VanDerWaalsContact C-N 3.33Å; S166-D168 PolarHBondContact O-N 3.32Å; S166-K169 PolarHBondContact O-N 2.84Å; S166-K169 WeakPolarHBondContact OG-CB 3.4Å; S166-K169 PolarHBondContact OG-N 2.78Å; S166-L170 PolarHBondContact O-N 3.44Å; S166-L170 VanDerWaalsContact O-N 3.16Å
167E95.8Very high94.7Very high136 Ų13664.8 Ų64.864%0.63632%0.324SS*.Hα-helixtrans-60.1-43.4174.9-170-178.7167.400111.6K169 L170 W171E167-K169 PolarHBondContact O-N 3.4Å; E167-L170 WeakPolarHBondContact O-CA 3.33Å; E167-L170 WeakPolarHBondContact O-CB 3.4Å; E167-L170 PolarHBondContact O-N 3.04Å; E167-W171 PolarHBondContact O-N 3.39Å; E167-W171 PolarHBondContact OE1-NE1 3.41Å
168D95.1Very high95.2Very high122 Ų12262.8 Ų62.865%0.65231%0.308SS*.Hα-helixtrans-53.9-41.1175.5-60.5-25.6000111.6S166 L170 W171 D172S166-D168 VanDerWaalsContact C-N 3.33Å; S166-D168 PolarHBondContact O-N 3.32Å; D168-L170 VanDerWaalsContact C-N 3.33Å; D168-L170 PolarHBondContact O-N 3.25Å; D168-W171 PolarHBondContact O-N 2.77Å; D168-D172 PolarHBondContact O-N 3.23Å
169K95Very high95.7Very high36 Ų3660.7 Ų60.716%0.15730%0.304CS..Hα-helixtrans-72-29.1-179.9-171.656.2177.1-1800112.6F155 L165 S166 E167 D172 I173F155-K169 WeakPolarHBondContact O-CE 3.33Å; F155-K169 PolarHBondContact O-NZ 2.95Å; L165-K169 HydrophobicContact CD1-CB 4.03Å; L165-K169 HydrophobicContact CD1-CG 3.54Å; L165-K169 HydrophobicContact CD2-CG 4.39Å; L165-K169 HydrophobicContact CG-CB 4.02Å; L165-K169 HydrophobicContact CG-CG 3.98Å; S166-K169 PolarHBondContact O-N 2.84Å; S166-K169 WeakPolarHBondContact OG-CB 3.4Å; S166-K169 PolarHBondContact OG-N 2.78Å; E167-K169 PolarHBondContact O-N 3.4Å; K169-D172 HydrophobicContact CD-CB 4.21Å; K169-I173 WeakPolarHBondContact O-CD1 3.19Å; K169-I173 VanDerWaalsContact O-CG1 3.31Å; K169-I173 WeakPolarHBondContact O-CG1 3.38Å; K169-I173 PolarHBondContact O-N 3.43Å
170L95.8Very high95.9Very high42 Ų4260.4 Ų60.422%0.2230%0.303CS..Hα-helixtrans-67-45.3170.9-71.3168.6000110.7F162 L165 S166 E167 D168 D172 I173 I174 A217F162-L170 HydrophobicContact CD2-CD2 4.49Å; F162-L170 HydrophobicContact CE2-CD1 4.46Å; F162-L170 HydrophobicContact CE2-CD2 3.61Å; F162-L170 HydrophobicContact CZ-CD1 4.22Å; F162-L170 HydrophobicContact CZ-CD2 4.12Å; L165-L170 HydrophobicContact CD2-CD2 3.54Å; L165-L170 HydrophobicContact CD2-CG 3.9Å; L165-L170 HydrophobicContact CG-CG 4.43Å; S166-L170 PolarHBondContact O-N 3.44Å; S166-L170 VanDerWaalsContact O-N 3.16Å; E167-L170 WeakPolarHBondContact O-CA 3.33Å; E167-L170 WeakPolarHBondContact O-CB 3.4Å; E167-L170 PolarHBondContact O-N 3.04Å; D168-L170 VanDerWaalsContact C-N 3.33Å; D168-L170 PolarHBondContact O-N 3.25Å; L170-D172 VanDerWaalsContact C-N 3.35Å; L170-D172 PolarHBondContact O-N 3.11Å; L170-I173 PolarHBondContact O-N 2.72Å; L170-I174 WeakPolarHBondContact O-CG1 3.36Å; L170-I174 PolarHBondContact O-N 2.89Å; L170-A217 HydrophobicContact CD2-CB 3.95Å
171W96.3Very high96.1Very high132 Ų13259.9 Ų59.950%0.530%0.301SS..Hα-helixtrans-61.2-41.6174.9-82.3116.3000112.4E167 D168 I173 I174 N175E167-W171 PolarHBondContact O-N 3.39Å; E167-W171 PolarHBondContact OE1-NE1 3.41Å; D168-W171 PolarHBondContact O-N 2.77Å; W171-I173 VanDerWaalsContact C-N 3.32Å; W171-I173 PolarHBondContact O-N 3.21Å; W171-I174 HydrophobicContact CE3-CD1 4.4Å; W171-I174 HydrophobicContact CZ3-CG2 4.48Å; W171-I174 PolarHBondContact O-N 3.49Å; W171-N175 WeakPolarHBondContact O-CB 3.45Å; W171-N175 PolarHBondContact O-N 2.84Å
172D95.9Very high96.3Very high51 Ų5155.9 Ų55.927%0.27329%0.289SS..Hα-helixtrans-55.2-46.3172.3-81.6-12.7000112V154 D168 K169 L170 V176V154-D172 HydrophobicContact CG2-CB 4.21Å; D168-D172 PolarHBondContact O-N 3.23Å; K169-D172 HydrophobicContact CD-CB 4.21Å; L170-D172 VanDerWaalsContact C-N 3.35Å; L170-D172 PolarHBondContact O-N 3.11Å; D172-V176 VanDerWaalsContact O-CB 3.24Å; D172-V176 WeakPolarHBondContact O-CB 3.36Å; D172-V176 VanDerWaalsContact O-CG2 3.29Å; D172-V176 WeakPolarHBondContact O-CG2 3.43Å; D172-V176 PolarHBondContact O-N 3.5Å
173I96.7Very high96.4Very high3 Ų353.3 Ų53.32%0.01528%0.28CS..Iπ-helixtrans-64.3-42.7179.5-69.9160.7000110.4V154 Y156 L165 K169 L170 W171 N177 A217V154-I173 HydrophobicContact CG2-CG1 4.02Å; Y156-I173 HydrophobicContact CD1-CD1 3.84Å; Y156-I173 HydrophobicContact CE1-CD1 3.41Å; Y156-I173 VanDerWaalsContact CE1-CD1 3.41Å; L165-I173 HydrophobicContact CD2-CD1 4Å; K169-I173 WeakPolarHBondContact O-CD1 3.19Å; K169-I173 VanDerWaalsContact O-CG1 3.31Å; K169-I173 WeakPolarHBondContact O-CG1 3.38Å; K169-I173 PolarHBondContact O-N 3.43Å; L170-I173 PolarHBondContact O-N 2.72Å; W171-I173 VanDerWaalsContact C-N 3.32Å; W171-I173 PolarHBondContact O-N 3.21Å; I173-N177 WeakPolarHBondContact O-CA 3.21Å; I173-N177 WeakPolarHBondContact O-CB 3.46Å; I173-N177 PolarHBondContact O-N 3.28Å; I173-A217 HydrophobicContact CD1-CB 4.07Å; I173-A217 HydrophobicContact CG2-CB 4.32Å
174I96.9Very high96.5Very high74 Ų7447 Ų4738%0.37924%0.241SC..Iπ-helixtrans-65.1-51.9178.9-66.9165.8000110.2L170 W171 I178 A179L170-I174 WeakPolarHBondContact O-CG1 3.36Å; L170-I174 PolarHBondContact O-N 2.89Å; W171-I174 HydrophobicContact CE3-CD1 4.4Å; W171-I174 HydrophobicContact CZ3-CG2 4.48Å; W171-I174 PolarHBondContact O-N 3.49Å; I174-I178 WeakPolarHBondContact O-CA 3.46Å; I174-I178 VanDerWaalsContact O-CB 3.27Å; I174-I178 WeakPolarHBondContact O-CB 3.25Å; I174-I178 PolarHBondContact O-N 2.86Å; I174-I178 VanDerWaalsContact O-N 3.14Å; I174-A179 PolarHBondContact O-N 2.82Å
175N96.9Very high96.7Very high33 Ų3342 Ų4218%0.17622%0.218CC..Iπ-helixtrans-65.9-48.1-176-71.6-19.4000111.5S127 W171 A179 A180S127-N175 PolarHBondContact O-ND2 3.44Å; W171-N175 WeakPolarHBondContact O-CB 3.45Å; W171-N175 PolarHBondContact O-N 2.84Å; N175-A179 WeakPolarHBondContact O-CB 3.09Å; N175-A179 PolarHBondContact O-N 2.67Å; N175-A180 PolarHBondContact O-N 2.93Å
176V97Very high96.9Very high7 Ų747.1 Ų47.14%0.04224%0.241CC..Iπ-helixtrans-83.5-41.3-173.3-173.70000112.7F126 V152 V154 D172 A180F126-V176 HydrophobicContact CB-CB 4.5Å; F126-V176 HydrophobicContact CB-CG1 4.27Å; F126-V176 HydrophobicContact CB-CG2 4.13Å; V152-V176 HydrophobicContact CB-CG1 4.47Å; V152-V176 HydrophobicContact CG1-CG1 4.23Å; V152-V176 HydrophobicContact CG2-CG1 3.7Å; V154-V176 HydrophobicContact CG1-CB 4.2Å; V154-V176 HydrophobicContact CG1-CG1 4.08Å; V154-V176 HydrophobicContact CG1-CG2 4.19Å; V154-V176 HydrophobicContact CG2-CB 4.12Å; D172-V176 VanDerWaalsContact O-CB 3.24Å; D172-V176 WeakPolarHBondContact O-CB 3.36Å; D172-V176 VanDerWaalsContact O-CG2 3.29Å; D172-V176 WeakPolarHBondContact O-CG2 3.43Å; D172-V176 PolarHBondContact O-N 3.5Å; V176-A180 VanDerWaalsContact O-CB 3.24Å; V176-A180 WeakPolarHBondContact O-CB 3.22Å
177N97.3Very high97Very high2 Ų244.7 Ų44.71%0.01122%0.224CC..Iπ-helixtrans-88.6-23.4-175.4-60.9-1.6000113.3G153 V154 I173 F218 S221 L225G153-N177 WeakPolarHBondContact CA-OD1 3.41Å; V154-N177 PolarHBondContact N-OD1 3.24Å; V154-N177 PolarHBondContact O-ND2 3.46Å; V154-N177 PolarHBondContact O-OD1 3.06Å; I173-N177 WeakPolarHBondContact O-CA 3.21Å; I173-N177 WeakPolarHBondContact O-CB 3.46Å; I173-N177 PolarHBondContact O-N 3.28Å; N177-F218 WeakPolarHBondContact ND2-CD2 3.44Å; N177-S221 WeakPolarHBondContact CB-OG 3.41Å; N177-S221 PolarHBondContact ND2-OG 3.4Å; N177-S221 VanDerWaalsContact ND2-OG 3.16Å; N177-L225 WeakPolarHBondContact O-CD2 3.35Å
178I97.9Very high97.1Very high44 Ų4438.6 Ų38.623%0.22620%0.196CC..Iπ-helixtrans-112.9-60.4-175.4-57178.8000110.4I174 A180 S182 Y224I174-I178 WeakPolarHBondContact O-CA 3.46Å; I174-I178 VanDerWaalsContact O-CB 3.27Å; I174-I178 WeakPolarHBondContact O-CB 3.25Å; I174-I178 PolarHBondContact O-N 2.86Å; I174-I178 VanDerWaalsContact O-N 3.14Å; I178-A180 PolarHBondContact O-N 3Å; I178-S182 PolarHBondContact O-N 3.09Å; I178-S182 PolarHBondContact O-OG 2.81Å; I178-Y224 HydrophobicContact CB-CD1 4.37Å; I178-Y224 HydrophobicContact CB-CE1 4.49Å; I178-Y224 HydrophobicContact CG1-CD1 4.33Å; I178-Y224 HydrophobicContact CG2-CD1 3.74Å; I178-Y224 HydrophobicContact CG2-CD2 4.36Å; I178-Y224 HydrophobicContact CG2-CE1 3.57Å; I178-Y224 HydrophobicContact CG2-CE2 4.19Å; I178-Y224 HydrophobicContact CG2-CG 4.15Å
179A97.8Very high97.3Very high24 Ų2433.4 Ų33.420%0.19817%0.168CC..Iπ-helixtrans-65.3-42.8-173.100000111.7I174 N175 A181 S182 L183I174-A179 PolarHBondContact O-N 2.82Å; N175-A179 WeakPolarHBondContact O-CB 3.09Å; N175-A179 PolarHBondContact O-N 2.67Å; A179-A181 PolarHBondContact O-N 2.81Å; A179-S182 PolarHBondContact O-N 3.19Å; A179-L183 HydrophobicContact CB-CD1 4.27Å; A179-L183 VanDerWaalsContact O-CB 3.31Å; A179-L183 WeakPolarHBondContact O-CB 3.34Å; A179-L183 WeakPolarHBondContact O-CG 3.29Å; A179-L183 PolarHBondContact O-N 2.74Å
180A97.6Very high97.4Very high0 Ų035 Ų350%018%0.183CC..Hα-helixtrans-54-53.5177.900000113.1F126 Y133 V152 N175 V176 I178 S182 L183 M184F126-A180 HydrophobicContact CB-CB 4.07Å; F126-A180 HydrophobicContact CD1-CB 3.41Å; F126-A180 VanDerWaalsContact CD1-CB 3.41Å; F126-A180 HydrophobicContact CE1-CB 4Å; F126-A180 HydrophobicContact CG-CB 3.86Å; Y133-A180 WeakPolarHBondContact OH-CA 3.46Å; Y133-A180 PolarHBondContact OH-N 3.23Å; V152-A180 HydrophobicContact CG1-CB 3.83Å; N175-A180 PolarHBondContact O-N 2.93Å; V176-A180 VanDerWaalsContact O-CB 3.24Å; V176-A180 WeakPolarHBondContact O-CB 3.22Å; I178-A180 PolarHBondContact O-N 3Å; A180-S182 VanDerWaalsContact C-N 3.32Å; A180-S182 PolarHBondContact O-N 3Å; A180-L183 PolarHBondContact O-N 2.88Å; A180-M184 WeakPolarHBondContact O-CB 3.29Å; A180-M184 WeakPolarHBondContact O-CG 3.32Å; A180-M184 PolarHBondContact O-N 3.31Å
181A97.1Very high97.4Very high5 Ų534 Ų344%0.04118%0.182CC..Hα-helixtrans-62.3-42.2-18000000111.8N150 A179 V185 L225N150-A181 HydrophobicContact CB-CB 4.1Å; N150-A181 PolarHBondContact ND2-O 3.33Å; A179-A181 PolarHBondContact O-N 2.81Å; A181-V185 VanDerWaalsContact O-CG2 3.29Å; A181-V185 WeakPolarHBondContact O-CG2 3.44Å; A181-V185 PolarHBondContact O-N 2.84Å; A181-V185 VanDerWaalsContact O-N 3.14Å; A181-L225 HydrophobicContact CB-CD2 3.37Å
182S98.2Very high97.5Very high24 Ų2427.8 Ų27.817%0.16816%0.159CC..Hα-helixtrans-65-47.2-178.3-51.70000111.8I178 A179 A180 H186 Y224I178-S182 PolarHBondContact O-N 3.09Å; I178-S182 PolarHBondContact O-OG 2.81Å; A179-S182 PolarHBondContact O-N 3.19Å; A180-S182 VanDerWaalsContact C-N 3.32Å; A180-S182 PolarHBondContact O-N 3Å; S182-H186 PolarHBondContact O-N 2.81Å; S182-Y224 PolarHBondContact OG-OH 3.49Å
183L98.1Very high97.6Very high61 Ų6127.2 Ų27.232%0.31916%0.157SC..Hα-helixtrans-77.3-35.3-175.8-67.9170.7000111.9Y133 A179 A180 V185 H186 V187Y133-L183 HydrophobicContact CD1-CB 3.59Å; Y133-L183 HydrophobicContact CD2-CB 4.2Å; Y133-L183 HydrophobicContact CD2-CD1 3.64Å; Y133-L183 HydrophobicContact CD2-CG 4.49Å; Y133-L183 HydrophobicContact CE1-CB 3.4Å; Y133-L183 HydrophobicContact CE1-CD1 4.17Å; Y133-L183 HydrophobicContact CE1-CG 4.42Å; Y133-L183 HydrophobicContact CE2-CB 4.07Å; Y133-L183 HydrophobicContact CE2-CD1 3.24Å; Y133-L183 HydrophobicContact CE2-CG 4.28Å; Y133-L183 HydrophobicContact CG-CB 4Å; Y133-L183 HydrophobicContact CG-CD1 4.29Å; A179-L183 HydrophobicContact CB-CD1 4.27Å; A179-L183 VanDerWaalsContact O-CB 3.31Å; A179-L183 WeakPolarHBondContact O-CB 3.34Å; A179-L183 WeakPolarHBondContact O-CG 3.29Å; A179-L183 PolarHBondContact O-N 2.74Å; A180-L183 PolarHBondContact O-N 2.88Å; L183-V185 VanDerWaalsContact C-N 3.34Å; L183-V185 PolarHBondContact O-N 3Å; L183-H186 CarbonylContact O-C 3.55Å; L183-H186 WeakPolarHBondContact O-CB 3.37Å; L183-H186 PolarHBondContact O-N 3.26Å; L183-H186 VanDerWaalsContact O-N 3.14Å; L183-V187 WeakPolarHBondContact O-CG2 3.36Å; L183-V187 PolarHBondContact O-N 3.02Å
184M98.4Very high97.6Very high0 Ų034.9 Ų34.90%019%0.193CC..Hα-helixtrans-62.6-40.7172-74.4-56.8-58.200111.9V71 I97 F126 Y133 I136 L140 L148 N150 A180 H186 V187 V188V71-M184 HydrophobicContact CG1-CE 4.03Å; I97-M184 HydrophobicContact CD1-CE 3.71Å; I97-M184 HydrophobicContact CD1-SD 4.47Å; F126-M184 HydrophobicContact CE1-CG 3.9Å; F126-M184 HydrophobicContact CE1-SD 4.02Å; F126-M184 HydrophobicContact CZ-CG 4.23Å; F126-M184 HydrophobicContact CZ-SD 4.21Å; Y133-M184 HydrophobicContact CD1-SD 4.3Å; Y133-M184 HydrophobicContact CE1-CG 4.34Å; Y133-M184 HydrophobicContact CE1-SD 4.36Å; I136-M184 HydrophobicContact CD1-SD 4.18Å; I136-M184 HydrophobicContact CG2-CE 3.94Å; I136-M184 HydrophobicContact CG2-SD 3.9Å; L140-M184 HydrophobicContact CD1-CE 4.38Å; L148-M184 HydrophobicContact CD1-CB 4.32Å; L148-M184 HydrophobicContact CD1-CE 4.02Å; L148-M184 HydrophobicContact CD2-CB 3.97Å; N150-M184 WeakPolarHBondContact OD1-CB 3.18Å; A180-M184 WeakPolarHBondContact O-CB 3.29Å; A180-M184 WeakPolarHBondContact O-CG 3.32Å; A180-M184 PolarHBondContact O-N 3.31Å; M184-H186 VanDerWaalsContact C-N 3.34Å; M184-V187 PolarHBondContact O-N 2.88Å; M184-V188 PolarHBondContact O-N 3.45Å
185V98.4Very high97.6Very high4 Ų436 Ų362%0.02419%0.192CC..Hα-helixtrans-59.5-47.6170.7169.80000110.4L148 N150 A181 L183 V187 V188 L189 I200 F228 L232L148-V185 HydrophobicContact CD2-CG2 4Å; N150-V185 WeakPolarHBondContact ND2-CG2 3.44Å; A181-V185 VanDerWaalsContact O-CG2 3.29Å; A181-V185 WeakPolarHBondContact O-CG2 3.44Å; A181-V185 PolarHBondContact O-N 2.84Å; A181-V185 VanDerWaalsContact O-N 3.14Å; L183-V185 VanDerWaalsContact C-N 3.34Å; L183-V185 PolarHBondContact O-N 3Å; V185-V187 PolarHBondContact O-N 3.36Å; V185-V188 PolarHBondContact O-N 3.4Å; V185-L189 HydrophobicContact CG1-CB 4.09Å; V185-L189 HydrophobicContact CG1-CD2 3.9Å; V185-L189 WeakPolarHBondContact O-CB 3.37Å; V185-L189 PolarHBondContact O-N 3.27Å; V185-I200 HydrophobicContact CG1-CD1 3.82Å; V185-I200 HydrophobicContact CG2-CD1 4.1Å; V185-I200 HydrophobicContact CG2-CG2 3.77Å; V185-F228 HydrophobicContact CB-CE1 4.49Å; V185-F228 HydrophobicContact CB-CZ 4.41Å; V185-F228 HydrophobicContact CG2-CE1 4.15Å; V185-L232 HydrophobicContact CG1-CD1 3.83Å; V185-L232 HydrophobicContact CG2-CD1 4.35Å
186H97.3Very high97.6Very high123 Ų12342 Ų4257%0.56922%0.217SC*.Hα-helixtrans-63.6-21.4178.8-166.9-95.7000113.9R137 S182 L183 M184R137-H186 PolarHBondContact NH2-O 3.36Å; R137-H186 VanDerWaalsContact NH2-O 3.13Å; S182-H186 PolarHBondContact O-N 2.81Å; L183-H186 CarbonylContact O-C 3.55Å; L183-H186 WeakPolarHBondContact O-CB 3.37Å; L183-H186 PolarHBondContact O-N 3.26Å; L183-H186 VanDerWaalsContact O-N 3.14Å; M184-H186 VanDerWaalsContact C-N 3.34Å
187V97.8Very high97.6Very high15 Ų1544.7 Ų44.79%0.09123%0.228CC..Hα-helixtrans-75-48.9172.8168.70000111.2I136 R137 L140 L183 M184 V185I136-V187 HydrophobicContact CG2-CG1 4.48Å; R137-V187 HydrophobicContact CB-CG1 4.07Å; R137-V187 HydrophobicContact CB-CG2 4.36Å; R137-V187 HydrophobicContact CG-CG1 4.42Å; L140-V187 HydrophobicContact CD1-CG1 3.98Å; L183-V187 WeakPolarHBondContact O-CG2 3.36Å; L183-V187 PolarHBondContact O-N 3.02Å; M184-V187 PolarHBondContact O-N 2.88Å; V185-V187 PolarHBondContact O-N 3.36Å
188V98Very high97.6Very high9 Ų944.6 Ų44.66%0.05523%0.227CC..Hα-helixtrans-92.2-28.6-170.2-54.70000114.5L140 I145 L148 M184 V185 G191 M192L140-V188 HydrophobicContact CD1-CG1 4.09Å; I145-V188 HydrophobicContact CG2-CB 4.32Å; I145-V188 HydrophobicContact CG2-CG1 4.12Å; L148-V188 HydrophobicContact CB-CG2 3.95Å; L148-V188 HydrophobicContact CD2-CG2 3.55Å; L148-V188 HydrophobicContact CG-CG2 4.31Å; M184-V188 PolarHBondContact O-N 3.45Å; V185-V188 PolarHBondContact O-N 3.4Å; V188-G191 PolarHBondContact O-N 3.49Å; V188-M192 HydrophobicContact CB-CE 4.19Å; V188-M192 HydrophobicContact CG2-CE 3.83Å; V188-M192 HydrophobicContact CG2-SD 4.17Å; V188-M192 PolarHBondContact O-N 3.05Å
189L98.1Very high97.7Very high12 Ų1242.5 Ų42.56%0.06322%0.217CC..Hα-helixtrans-61.2-40.1-169.9-178.162.9000113.8V185 G191 M192 V193 I200 Y236 I241V185-L189 HydrophobicContact CG1-CB 4.09Å; V185-L189 HydrophobicContact CG1-CD2 3.9Å; V185-L189 WeakPolarHBondContact O-CB 3.37Å; V185-L189 PolarHBondContact O-N 3.27Å; L189-G191 VanDerWaalsContact C-N 3.34Å; L189-G191 PolarHBondContact O-N 3.32Å; L189-M192 PolarHBondContact O-N 3.44Å; L189-V193 HydrophobicContact CD1-CG2 3.9Å; L189-V193 HydrophobicContact CG-CG2 4.14Å; L189-V193 WeakPolarHBondContact O-CG2 3.38Å; L189-V193 PolarHBondContact O-N 3.08Å; L189-I200 HydrophobicContact CD1-CD1 4.01Å; L189-Y236 HydrophobicContact CD1-CD1 4.09Å; L189-Y236 HydrophobicContact CD1-CE1 4.41Å; L189-Y236 HydrophobicContact CD1-CG 4.25Å; L189-Y236 HydrophobicContact CD2-CD1 4.22Å; L189-Y236 HydrophobicContact CD2-CD2 4.08Å; L189-Y236 HydrophobicContact CD2-CE1 3.83Å; L189-Y236 HydrophobicContact CD2-CE2 3.7Å; L189-Y236 HydrophobicContact CD2-CG 4.36Å; L189-Y236 HydrophobicContact CG-CD1 4.38Å; L189-Y236 HydrophobicContact CG-CE1 4.19Å; L189-I241 HydrophobicContact CD1-CG1 4.19Å; L189-I241 HydrophobicContact CD1-CG2 4.1Å
190P97.1Very high97.7Very high71 Ų7141.4 Ų41.446%0.46121%0.207SC..Hα-helixtrans-55.8-46.8178.3-27.236.3000113V193 E194P190-V193 PolarHBondContact O-N 3.29Å; P190-E194 PolarHBondContact O-N 3.22Å
191G96.9Very high97.8Very high21 Ų2141.4 Ų41.422%0.21621%0.207CC..Hα-helixtrans-66.4-38.8178.300000112.8V188 L189 V193 E194 R195V188-G191 PolarHBondContact O-N 3.49Å; L189-G191 VanDerWaalsContact C-N 3.34Å; L189-G191 PolarHBondContact O-N 3.32Å; G191-V193 VanDerWaalsContact C-N 3.32Å; G191-V193 PolarHBondContact O-N 2.81Å; G191-E194 PolarHBondContact O-N 3.43Å; G191-R195 VanDerWaalsContact C-NH1 3.32Å; G191-R195 WeakPolarHBondContact O-CG 3.49Å; G191-R195 PolarHBondContact O-N 3.03Å; G191-R195 VanDerWaalsContact O-N 3.13Å; G191-R195 PolarHBondContact O-NH1 3.04Å
192M98.1Very high97.9Very high0 Ų041.1 Ų41.10%021%0.205CC..Hα-helixtrans-61.9-41.3174.4-66.2-179.6173.400111.7I145 L148 V188 L189 R195 K196 K197 I200 I241I145-M192 HydrophobicContact CG2-CE 4.02Å; L148-M192 HydrophobicContact CB-CE 4.3Å; V188-M192 HydrophobicContact CB-CE 4.19Å; V188-M192 HydrophobicContact CG2-CE 3.83Å; V188-M192 HydrophobicContact CG2-SD 4.17Å; V188-M192 PolarHBondContact O-N 3.05Å; L189-M192 PolarHBondContact O-N 3.44Å; M192-R195 CarbonylContact O-C 3.58Å; M192-R195 PolarHBondContact O-N 3.25Å; M192-K196 PolarHBondContact O-N 3.16Å; M192-K197 PolarHBondContact O-N 3.34Å; M192-I200 HydrophobicContact SD-CD1 4.5Å; M192-I200 HydrophobicContact SD-CG1 4.15Å; M192-I241 HydrophobicContact CB-CD1 3.69Å; M192-I241 WeakPolarHBondContact O-CD1 3.33Å
193V97.9Very high97.9Very high40 Ų4040.3 Ų40.324%0.24220%0.199CC..Hα-helixtrans-67.4-42.2179.6169.10000111.5L189 P190 G191 R195 K196 Y236 K239 I241L189-V193 HydrophobicContact CD1-CG2 3.9Å; L189-V193 HydrophobicContact CG-CG2 4.14Å; L189-V193 WeakPolarHBondContact O-CG2 3.38Å; L189-V193 PolarHBondContact O-N 3.08Å; P190-V193 PolarHBondContact O-N 3.29Å; G191-V193 VanDerWaalsContact C-N 3.32Å; G191-V193 PolarHBondContact O-N 2.81Å; V193-R195 VanDerWaalsContact C-N 3.28Å; V193-R195 PolarHBondContact O-N 3.24Å; V193-K196 PolarHBondContact O-N 2.81Å; V193-Y236 HydrophobicContact CG2-CD1 3.59Å; V193-Y236 HydrophobicContact CG2-CE1 3.87Å; V193-K239 HydrophobicContact CG1-CD 4.12Å; V193-K239 HydrophobicContact CG2-CD 4.45Å; V193-I241 HydrophobicContact CG2-CD1 4.36Å; V193-I241 HydrophobicContact CG2-CG1 4.01Å
194E96.8Very high97.8Very high164 Ų16437.6 Ų37.677%0.76619%0.185SC*.Hα-helixtrans-57.9-43.3175-175.4175.8-168.800111.4P190 G191 K196P190-E194 PolarHBondContact O-N 3.22Å; G191-E194 PolarHBondContact O-N 3.43Å; E194-K196 VanDerWaalsContact C-N 3.25Å; E194-K196 PolarHBondContact O-N 2.96Å
195R96.4Very high97.7Very high97 Ų9738.7 Ų38.737%0.36619%0.193SC..THydrogen-bonded Turntrans-77.4-7.2175.4-63.3-169.9-62-77.7-0.1114.1D144 I145 G191 M192 V193 K197D144-R195 IonicContact OD1-CZ 2.81Å; D144-R195 IonicContact OD1-NE 2.94Å; D144-R195 PolarHBondContact OD1-NE 3.37Å; D144-R195 IonicContact OD1-NH2 3.82Å; I145-R195 PolarHBondContact O-NH2 3.42Å; G191-R195 VanDerWaalsContact C-NH1 3.32Å; G191-R195 WeakPolarHBondContact O-CG 3.49Å; G191-R195 PolarHBondContact O-N 3.03Å; G191-R195 VanDerWaalsContact O-N 3.13Å; G191-R195 PolarHBondContact O-NH1 3.04Å; M192-R195 CarbonylContact O-C 3.58Å; M192-R195 PolarHBondContact O-N 3.25Å; V193-R195 VanDerWaalsContact C-N 3.28Å; V193-R195 PolarHBondContact O-N 3.24Å; R195-K197 HydrophobicContact CB-CB 4.41Å; R195-K197 WeakPolarHBondContact O-CB 3.44Å; R195-K197 PolarHBondContact O-N 3.47Å
196K97.3Very high97.4Very high160 Ų16038.7 Ų38.770%0.69619%0.193SC*.THydrogen-bonded Turntrans50.133.8-171.9-60.2179.7179.41760113.2M192 V193 E194 K239M192-K196 PolarHBondContact O-N 3.16Å; V193-K196 PolarHBondContact O-N 2.81Å; E194-K196 VanDerWaalsContact C-N 3.25Å; E194-K196 PolarHBondContact O-N 2.96Å; K196-K239 VanDerWaalsContact CA-O 3.32Å; K196-K239 WeakPolarHBondContact CA-O 3.16Å
197K97.1Very high97.2Very high63 Ų6333.6 Ų33.627%0.27417%0.171SC..  trans-156.4122.4-168.3-168.6-173.2172.8-167.70109.9I63 K64 Q65 Y66 M192 R195I63-K197 PolarHBondContact O-NZ 3.44Å; K64-K197 WeakPolarHBondContact O-CE 3.37Å; K64-K197 PolarHBondContact O-NZ 3.43Å; Q65-K197 WeakPolarHBondContact O-CE 3.27Å; Q65-K197 WeakPolarHBondContact O-CG 3.43Å; Y66-K197 VanDerWaalsContact C-CE 3.4Å; M192-K197 PolarHBondContact O-N 3.34Å; R195-K197 HydrophobicContact CB-CB 4.41Å; R195-K197 WeakPolarHBondContact O-CB 3.44Å; R195-K197 PolarHBondContact O-N 3.47Å
198G98.2Very high97Very high0 Ų033.6 Ų33.60%017%0.172CC..EExtended strand (participates in β ladder)trans166.7163.7173.600000113.1G146 F242G146-G198 CarbonylContact O-C 3.53Å; G146-G198 VanDerWaalsContact O-CA 3.26Å; G146-G198 WeakPolarHBondContact O-CA 3.43Å; G198-F242 PolarHBondContact O-N 3.41Å
199A98.7Very high96.7Very high0 Ų034.8 Ų34.80%018%0.18CC..EExtended strand (participates in β ladder)trans-130.8140.4174.800000112.5Y66 G146 I147 L148 F242 L283Y66-A199 HydrophobicContact CD1-CB 3.64Å; Y66-A199 HydrophobicContact CD2-CB 4.14Å; Y66-A199 HydrophobicContact CE1-CB 3.87Å; Y66-A199 HydrophobicContact CE2-CB 4.35Å; Y66-A199 HydrophobicContact CG-CB 3.78Å; G146-A199 PolarHBondContact O-N 3.29Å; I147-A199 CarbonylContact C-O 3.55Å; I147-A199 VanDerWaalsContact CA-O 3.29Å; I147-A199 WeakPolarHBondContact CA-O 3.24Å; I147-A199 HydrophobicContact CG1-CB 4.32Å; L148-A199 PolarHBondContact N-O 3.46Å; A199-F242 CarbonylContact C-O 3.57Å; A199-F242 WeakPolarHBondContact CA-O 3.44Å; A199-F242 HydrophobicContact CB-CB 4.36Å; A199-L283 HydrophobicContact CB-CD1 4.29Å
200I98.9Very high96.5Very high0 Ų035.8 Ų35.80%018%0.184CC..EExtended strand (participates in β ladder)trans-119.7126172.2-64.1163000107.8L148 V185 L189 M192 I241 F242 V243 Q244L148-I200 HydrophobicContact CB-CG1 4.44Å; L148-I200 CarbonylContact O-C 3.6Å; L148-I200 WeakPolarHBondContact O-CA 3.46Å; V185-I200 HydrophobicContact CG1-CD1 3.82Å; V185-I200 HydrophobicContact CG2-CD1 4.1Å; V185-I200 HydrophobicContact CG2-CG2 3.77Å; L189-I200 HydrophobicContact CD1-CD1 4.01Å; M192-I200 HydrophobicContact SD-CD1 4.5Å; M192-I200 HydrophobicContact SD-CG1 4.15Å; I200-I241 HydrophobicContact CD1-CG2 4.41Å; I200-F242 PolarHBondContact N-O 2.93Å; I200-V243 HydrophobicContact CB-CG1 4.15Å; I200-V243 HydrophobicContact CB-CG2 4.25Å; I200-V243 HydrophobicContact CD1-CG2 4.26Å; I200-V243 HydrophobicContact CG2-CG1 4.24Å; I200-V243 CarbonylContact O-C 3.57Å; I200-V243 WeakPolarHBondContact O-CA 3.24Å; I200-Q244 PolarHBondContact O-N 3.35Å
201V98.8Very high96.3Very high0 Ų035.7 Ų35.70%018%0.183CC..EExtended strand (participates in β ladder)trans-118.4121.9176.6-177.20000108.3L148 V149 N150 I203 Q244 L246 L283L148-V201 PolarHBondContact O-N 2.65Å; V149-V201 CarbonylContact C-O 3.46Å; V149-V201 WeakPolarHBondContact CA-O 3.4Å; V149-V201 HydrophobicContact CG2-CB 4.42Å; N150-V201 PolarHBondContact N-O 3.39Å; V201-I203 HydrophobicContact CG1-CD1 4.25Å; V201-Q244 WeakPolarHBondContact CA-O 3.35Å; V201-Q244 HydrophobicContact CG2-CB 4.42Å; V201-L246 HydrophobicContact CG1-CD1 3.44Å; V201-L246 VanDerWaalsContact CG1-CD1 3.44Å; V201-L246 HydrophobicContact CG1-CG 3.84Å; V201-L283 HydrophobicContact CG2-CD1 3.46Å; V201-L283 VanDerWaalsContact CG2-CD1 3.46Å; V201-L283 HydrophobicContact CG2-CD2 4.36Å
202T98.6Very high96.2Very high0 Ų035.2 Ų35.20%018%0.176CC..EExtended strand (participates in β ladder)trans-116.4123.4179.8-56.80000110.4N150 S204 L225 S229 Q244 L246N150-T202 HydrophobicContact CB-CG2 4.17Å; T202-S204 PolarHBondContact O-N 3.21Å; T202-L225 HydrophobicContact CG2-CB 3.85Å; T202-L225 HydrophobicContact CG2-CD1 4.08Å; T202-L225 HydrophobicContact CG2-CD2 3.8Å; T202-L225 HydrophobicContact CG2-CG 4.12Å; T202-S229 WeakPolarHBondContact CB-OG 3.4Å; T202-S229 PolarHBondContact OG1-OG 2.91Å; T202-Q244 PolarHBondContact N-O 2.95Å; T202-L246 PolarHBondContact O-N 3.22Å
203I98.1Very high96Very high7 Ų736.8 Ų36.84%0.03619%0.187CC..EExtended strand (participates in β ladder)trans-84.999178.2-48-54.8000110.1N150 N151 V201 K222 L246 P248N150-I203 PolarHBondContact O-N 3.34Å; N151-I203 HydrophobicContact CB-CB 4.45Å; N151-I203 HydrophobicContact CB-CG1 3.69Å; V201-I203 HydrophobicContact CG1-CD1 4.25Å; I203-K222 PolarHBondContact O-NZ 3.28Å; I203-L246 HydrophobicContact CD1-CB 3.86Å; I203-L246 HydrophobicContact CD1-CD1 3.53Å; I203-L246 HydrophobicContact CD1-CG 4.23Å; I203-P248 HydrophobicContact CG2-CG 3.81Å
204S96.9Very high95.7Very high3 Ų335.3 Ų35.32%0.02118%0.177CC..  trans-82-140.6169.1-172.40000110.6T202 C208 K222 L246T202-S204 PolarHBondContact O-N 3.21Å; S204-C208 WeakPolarHBondContact OG-CB 3.15Å; S204-K222 PolarHBondContact OG-O 3.09Å; S204-L246 WeakPolarHBondContact CA-O 3.44Å; S204-L246 WeakPolarHBondContact CB-O 3.34Å; S204-L246 PolarHBondContact N-O 3.01Å
205S95.4Very high95.7Very high24 Ų2427.8 Ų27.817%0.16814%0.142CC..  trans-165.8151.3179.9173.20000109.8S207 C208 I247 P248S205-S207 WeakPolarHBondContact CB-OG 2.99Å; S205-S207 PolarHBondContact O-N 3.2Å; S205-S207 PolarHBondContact OG-N 3.31Å; S205-S207 PolarHBondContact OG-OG 3.44Å; S205-C208 WeakPolarHBondContact O-CB 3.2Å; S205-C208 PolarHBondContact O-N 3.08Å; S205-C208 PolarHBondContact O-SG 2.88Å; S205-I247 VanDerWaalsContact C-CG2 3.5Å; S205-I247 WeakPolarHBondContact O-CG2 3.39Å; S205-P248 CarbonylContact C-O 3.57Å; S205-P248 WeakPolarHBondContact CA-O 3.46Å
206G93.1Very high95.6Very high3 Ų325.4 Ų25.43%0.03114%0.143CC..G310 helixtrans-52.4-2617000000113.7C208 C209 P248G206-C208 PolarHBondContact O-N 2.99Å; G206-C208 VanDerWaalsContact O-N 3.16Å; G206-C209 WeakPolarHBondContact O-CB 3.42Å; G206-C209 PolarHBondContact O-N 3.36Å; G206-C209 VanDerWaalsContact O-N 3.1Å; G206-C209 PolarHBondContact O-SG 3.46Å; G206-P248 PolarHBondContact N-O 3.02Å
207S92.6Very high95.6Very high16 Ų1618.8 Ų18.811%0.11212%0.118CC..G310 helixtrans-64.1-12.9172.762.60000114.6S205 C209 K210S205-S207 WeakPolarHBondContact CB-OG 2.99Å; S205-S207 PolarHBondContact O-N 3.2Å; S205-S207 PolarHBondContact OG-N 3.31Å; S205-S207 PolarHBondContact OG-OG 3.44Å; S207-C209 PolarHBondContact O-N 3.05Å; S207-K210 VanDerWaalsContact O-O 3.12Å
208C93.8Very high95.5Very high15 Ų1516.5 Ų16.510%0.10111%0.108CC..G310 helixtrans-71.9-17.8173.386.20000112.7S204 S205 G206 K222 A223S204-C208 WeakPolarHBondContact OG-CB 3.15Å; S205-C208 WeakPolarHBondContact O-CB 3.2Å; S205-C208 PolarHBondContact O-N 3.08Å; S205-C208 PolarHBondContact O-SG 2.88Å; G206-C208 PolarHBondContact O-N 2.99Å; G206-C208 VanDerWaalsContact O-N 3.16Å; C208-K222 HydrophobicContact CB-CB 4.08Å; C208-K222 WeakPolarHBondContact CB-O 3.4Å; C208-A223 HydrophobicContact CB-CB 4.41Å
209C91.9Very high95.4Very high34 Ų3416.9 Ų16.923%0.2311%0.111CC..SBendtrans-70.2-37.5-172-61.30000112.1G206 S207 F299 A302G206-C209 WeakPolarHBondContact O-CB 3.42Å; G206-C209 PolarHBondContact O-N 3.36Å; G206-C209 VanDerWaalsContact O-N 3.1Å; G206-C209 PolarHBondContact O-SG 3.46Å; S207-C209 PolarHBondContact O-N 3.05Å; C209-F299 WeakPolarHBondContact SG-CE2 3.4Å; C209-A302 HydrophobicContact CB-CB 4.42Å
210K93.4Very high95.3Very high34 Ų3419.8 Ų19.815%0.14814%0.135CC..SBendtrans-154.6155.8-173.2-75.1-173.1163.271.30111.2S207 T212 A302 Q303 M305 W310S207-K210 VanDerWaalsContact O-O 3.12Å; K210-T212 PolarHBondContact O-N 3.36Å; K210-T212 PolarHBondContact O-OG1 3.34Å; K210-T212 VanDerWaalsContact O-OG1 3.14Å; K210-A302 PolarHBondContact NZ-O 3.23Å; K210-Q303 PolarHBondContact NZ-O 3.44Å; K210-M305 WeakPolarHBondContact CE-O 3.3Å; K210-M305 PolarHBondContact NZ-O 3.18Å; K210-W310 HydrophobicContact CB-CB 4.43Å; K210-W310 VanDerWaalsContact CB-CD1 3.47Å; K210-W310 HydrophobicContact CB-CD2 3.74Å; K210-W310 HydrophobicContact CB-CE3 4.46Å; K210-W310 HydrophobicContact CB-CG 3.64Å; K210-W310 HydrophobicContact CB-CZ2 4.48Å; K210-W310 HydrophobicContact CD-CB 3.54Å; K210-W310 HydrophobicContact CD-CD2 3.93Å; K210-W310 HydrophobicContact CD-CE3 4.21Å; K210-W310 HydrophobicContact CD-CG 3.59Å; K210-W310 HydrophobicContact CG-CD2 4.32Å; K210-W310 HydrophobicContact CG-CG 4.23Å
211P93.8Very high95.3Very high68 Ų6819.8 Ų19.844%0.44214%0.135SC..  trans-50.9128.9175.7-27.535.5000112.1W310P211-W310 PolarHBondContact O-NE1 3.43Å
212T93.9Very high95.2Very high12 Ų1220.4 Ų20.47%0.07414%0.138CC..  trans-119100.1-177.3-57.10000109.4K210 L215 W310 A314K210-T212 PolarHBondContact O-N 3.36Å; K210-T212 PolarHBondContact O-OG1 3.34Å; K210-T212 VanDerWaalsContact O-OG1 3.14Å; T212-L215 HydrophobicContact CG2-CB 4.13Å; T212-L215 HydrophobicContact CG2-CD1 3.97Å; T212-L215 HydrophobicContact CG2-CG 4.48Å; T212-L215 CarbonylContact O-C 3.45Å; T212-L215 PolarHBondContact O-N 3.27Å; T212-W310 PolarHBondContact OG1-NE1 2.85Å; T212-A314 HydrophobicContact CG2-CB 4.19Å
213P93.7Very high95.2Very high33 Ų3322.2 Ų22.221%0.21415%0.153CC..THydrogen-bonded Turntrans-55.6148.7-179.9-23.932.1000112.1L215 V311 N315 N318P213-L215 PolarHBondContact O-N 3.17Å; P213-V311 HydrophobicContact CG-CG1 3.79Å; P213-N315 VanDerWaalsContact CB-OD1 3.3Å; P213-N315 WeakPolarHBondContact CB-OD1 3.47Å; P213-N318 PolarHBondContact O-ND2 3.49Å
214Q93.5Very high95.2Very high9 Ų926.2 Ų26.24%0.04217%0.168CC..THydrogen-bonded Turntrans67.54.1-177.5-45.6175.6-24.500114.6P159 Q160 Y161 N318 R322P159-Q214 HydrophobicContact CB-CB 4.14Å; Q160-Q214 PolarHBondContact N-O 2.98Å; Q160-Q214 CarbonylContact O-C 3.29Å; Q160-Q214 VanDerWaalsContact O-C 3.29Å; Q160-Q214 WeakPolarHBondContact O-CA 3.27Å; Y161-Q214 HydrophobicContact CD1-CG 4.26Å; Y161-Q214 HydrophobicContact CE1-CG 4.11Å; Q214-N318 HydrophobicContact CB-CB 4.41Å; Q214-R322 VanDerWaalsContact CG-NH2 3.27Å
215L94.9Very high95.3Very high6 Ų626.2 Ų26.23%0.03117%0.168CC..  trans-139.534.7175.3-64.1175.5000110.7F155 Y156 P159 T212 P213 A217 F218 S219F155-L215 HydrophobicContact CE1-CD2 4.06Å; F155-L215 HydrophobicContact CE2-CD1 3.95Å; F155-L215 HydrophobicContact CE2-CD2 3.63Å; F155-L215 HydrophobicContact CE2-CG 4.39Å; F155-L215 HydrophobicContact CZ-CD1 3.68Å; F155-L215 HydrophobicContact CZ-CD2 3.28Å; F155-L215 HydrophobicContact CZ-CG 4.14Å; Y156-L215 HydrophobicContact CD1-CD2 4.4Å; Y156-L215 HydrophobicContact CD2-CD2 4.01Å; Y156-L215 HydrophobicContact CG-CD2 3.98Å; P159-L215 HydrophobicContact CB-CD2 4.14Å; P159-L215 HydrophobicContact CB-CG 4.31Å; P159-L215 HydrophobicContact CG-CD2 4.33Å; T212-L215 HydrophobicContact CG2-CB 4.13Å; T212-L215 HydrophobicContact CG2-CD1 3.97Å; T212-L215 HydrophobicContact CG2-CG 4.48Å; T212-L215 CarbonylContact O-C 3.45Å; T212-L215 PolarHBondContact O-N 3.27Å; P213-L215 PolarHBondContact O-N 3.17Å; L215-A217 PolarHBondContact O-N 3.37Å; L215-F218 PolarHBondContact O-N 3.3Å; L215-S219 WeakPolarHBondContact O-CB 3.49Å; L215-S219 PolarHBondContact O-N 2.87Å; L215-S219 PolarHBondContact O-OG 3.42Å
216A95.6Very high95.4Very high47 Ų4725.5 Ų25.539%0.38816%0.162SC..Hα-helixtrans-57.3-55.2-168.800000113.2F162 F218 S219 A220F162-A216 HydrophobicContact CD2-CB 4.47Å; A216-F218 PolarHBondContact O-N 3.45Å; A216-S219 PolarHBondContact O-OG 3.34Å; A216-S219 VanDerWaalsContact O-OG 3.09Å; A216-A220 VanDerWaalsContact O-CB 3.26Å; A216-A220 WeakPolarHBondContact O-CB 3.31Å; A216-A220 PolarHBondContact O-N 2.92Å
217A96.6Very high95.7Very high21 Ų2131.3 Ų31.317%0.17419%0.188CC..Hα-helixtrans-66.9-37.6-178.800000112Y156 F162 L170 I173 L215 S221Y156-A217 HydrophobicContact CE1-CB 4.37Å; Y156-A217 WeakPolarHBondContact OH-CB 3.35Å; Y156-A217 PolarHBondContact OH-N 2.93Å; F162-A217 HydrophobicContact CE2-CB 4.49Å; L170-A217 HydrophobicContact CD2-CB 3.95Å; I173-A217 HydrophobicContact CD1-CB 4.07Å; I173-A217 HydrophobicContact CG2-CB 4.32Å; L215-A217 PolarHBondContact O-N 3.37Å; A217-S221 WeakPolarHBondContact O-CB 3.35Å; A217-S221 PolarHBondContact O-N 2.85Å
218F95.6Very high96Very high14 Ų1432.4 Ų32.46%0.06119%0.191CC..Hα-helixtrans-65.9-52.1177.5178.1-96.2000111.8V154 F155 Y156 N177 L215 A216 A220 S221 K222V154-F218 VanDerWaalsContact O-CD2 3.32Å; V154-F218 WeakPolarHBondContact O-CD2 3.28Å; V154-F218 WeakPolarHBondContact O-CE2 3.27Å; F155-F218 HydrophobicContact CB-CE2 4.47Å; F155-F218 AromaticContact CD2-CD1 3.77Å; F155-F218 HydrophobicContact CD2-CD1 3.77Å; F155-F218 AromaticContact CD2-CD2 3.65Å; F155-F218 HydrophobicContact CD2-CD2 3.65Å; F155-F218 AromaticContact CD2-CE1 3.72Å; F155-F218 HydrophobicContact CD2-CE1 3.72Å; F155-F218 AromaticContact CD2-CE2 3.61Å; F155-F218 HydrophobicContact CD2-CE2 3.61Å; F155-F218 AromaticContact CD2-CG 3.73Å; F155-F218 HydrophobicContact CD2-CG 3.73Å; F155-F218 AromaticContact CD2-CZ 3.63Å; F155-F218 HydrophobicContact CD2-CZ 3.63Å; F155-F218 AromaticContact CE2-CD1 3.62Å; F155-F218 HydrophobicContact CE2-CD1 3.62Å; F155-F218 HydrophobicContact CE2-CD2 4.33Å; F155-F218 AromaticContact CE2-CE1 3.69Å; F155-F218 HydrophobicContact CE2-CE1 3.69Å; F155-F218 HydrophobicContact CE2-CE2 4.41Å; F155-F218 AromaticContact CE2-CG 3.95Å; F155-F218 HydrophobicContact CE2-CG 3.95Å; F155-F218 HydrophobicContact CE2-CZ 4.09Å; Y156-F218 HydrophobicContact CD1-CB 3.98Å; Y156-F218 HydrophobicContact CE1-CB 3.68Å; N177-F218 WeakPolarHBondContact ND2-CD2 3.44Å; L215-F218 PolarHBondContact O-N 3.3Å; A216-F218 PolarHBondContact O-N 3.45Å; F218-A220 VanDerWaalsContact C-N 3.3Å; F218-A220 PolarHBondContact O-N 3.08Å; F218-S221 PolarHBondContact O-N 2.9Å; F218-S221 VanDerWaalsContact O-N 3.11Å; F218-S221 PolarHBondContact O-OG 3.4Å; F218-K222 HydrophobicContact CD1-CG 4.39Å; F218-K222 HydrophobicContact CE1-CG 3.94Å; F218-K222 HydrophobicContact CE2-CG 4.26Å; F218-K222 HydrophobicContact CZ-CD 4.34Å; F218-K222 HydrophobicContact CZ-CG 3.87Å; F218-K222 WeakPolarHBondContact O-CG 3.45Å; F218-K222 PolarHBondContact O-N 3.48Å
219S95.9Very high96.2Very high9 Ų931.7 Ų31.76%0.06319%0.187CC..Hα-helixtrans-60.4-40.6178.857.30000111.7L215 A216 K222 A223L215-S219 WeakPolarHBondContact O-CB 3.49Å; L215-S219 PolarHBondContact O-N 2.87Å; L215-S219 PolarHBondContact O-OG 3.42Å; A216-S219 PolarHBondContact O-OG 3.34Å; A216-S219 VanDerWaalsContact O-OG 3.09Å; S219-K222 PolarHBondContact O-N 3.26Å; S219-A223 PolarHBondContact O-N 2.93Å
220A97.4Very high96.5Very high60 Ų6034.7 Ų34.750%0.49619%0.193SC..Hα-helixtrans-60.6-44.5172.600000112.5A216 F218 K222 A223 Y224A216-A220 VanDerWaalsContact O-CB 3.26Å; A216-A220 WeakPolarHBondContact O-CB 3.31Å; A216-A220 PolarHBondContact O-N 2.92Å; F218-A220 VanDerWaalsContact C-N 3.3Å; F218-A220 PolarHBondContact O-N 3.08Å; A220-K222 VanDerWaalsContact C-N 3.27Å; A220-K222 PolarHBondContact O-N 2.9Å; A220-A223 WeakPolarHBondContact O-CB 3.32Å; A220-A223 PolarHBondContact O-N 3.4Å; A220-Y224 PolarHBondContact O-N 3.14Å
221S97.8Very high96.7Very high1 Ų134.7 Ų34.71%0.00720%0.2CC..Hα-helixtrans-61.4-35.9176.274.30000112.5N177 A217 F218 Y224 L225N177-S221 WeakPolarHBondContact CB-OG 3.41Å; N177-S221 PolarHBondContact ND2-OG 3.4Å; N177-S221 VanDerWaalsContact ND2-OG 3.16Å; A217-S221 WeakPolarHBondContact O-CB 3.35Å; A217-S221 PolarHBondContact O-N 2.85Å; F218-S221 PolarHBondContact O-N 2.9Å; F218-S221 VanDerWaalsContact O-N 3.11Å; F218-S221 PolarHBondContact O-OG 3.4Å; S221-Y224 WeakPolarHBondContact O-CB 3.28Å; S221-Y224 PolarHBondContact O-N 2.91Å; S221-L225 WeakPolarHBondContact O-CG 3.48Å; S221-L225 PolarHBondContact O-N 3.3Å; S221-L225 VanDerWaalsContact O-N 3.09Å
222K97.4Very high97Very high12 Ų1232.1 Ų32.15%0.05218%0.182CC..Hα-helixtrans-75.2-34.2178.2-64.4-56.6-166.1177.20111.5I203 S204 C208 F218 S219 A220 L225 D226I203-K222 PolarHBondContact O-NZ 3.28Å; S204-K222 PolarHBondContact OG-O 3.09Å; C208-K222 HydrophobicContact CB-CB 4.08Å; C208-K222 WeakPolarHBondContact CB-O 3.4Å; F218-K222 HydrophobicContact CD1-CG 4.39Å; F218-K222 HydrophobicContact CE1-CG 3.94Å; F218-K222 HydrophobicContact CE2-CG 4.26Å; F218-K222 HydrophobicContact CZ-CD 4.34Å; F218-K222 HydrophobicContact CZ-CG 3.87Å; F218-K222 WeakPolarHBondContact O-CG 3.45Å; F218-K222 PolarHBondContact O-N 3.48Å; S219-K222 PolarHBondContact O-N 3.26Å; A220-K222 VanDerWaalsContact C-N 3.27Å; A220-K222 PolarHBondContact O-N 2.9Å; K222-L225 HydrophobicContact CD-CD1 3.92Å; K222-L225 PolarHBondContact O-N 3.5Å; K222-D226 PolarHBondContact O-N 3.1Å; K222-D226 VanDerWaalsContact O-N 3.09Å
223A97.9Very high97.2Very high39 Ų3932 Ų3232%0.32218%0.181SC..Hα-helixtrans-61.3-42.2168.800000112.1C208 S219 A220 L225 D226 H227C208-A223 HydrophobicContact CB-CB 4.41Å; S219-A223 PolarHBondContact O-N 2.93Å; A220-A223 WeakPolarHBondContact O-CB 3.32Å; A220-A223 PolarHBondContact O-N 3.4Å; A223-L225 PolarHBondContact O-N 3.43Å; A223-D226 PolarHBondContact O-N 3.47Å; A223-H227 WeakPolarHBondContact O-CB 3.45Å; A223-H227 PolarHBondContact O-N 2.91Å
224Y98.5Very high97.4Very high90 Ų9039.5 Ų39.535%0.35321%0.206SC..Hα-helixtrans-55.4-50.6171.2174.5-87000111.1I178 S182 A220 S221 D226 H227 F228I178-Y224 HydrophobicContact CB-CD1 4.37Å; I178-Y224 HydrophobicContact CB-CE1 4.49Å; I178-Y224 HydrophobicContact CG1-CD1 4.33Å; I178-Y224 HydrophobicContact CG2-CD1 3.74Å; I178-Y224 HydrophobicContact CG2-CD2 4.36Å; I178-Y224 HydrophobicContact CG2-CE1 3.57Å; I178-Y224 HydrophobicContact CG2-CE2 4.19Å; I178-Y224 HydrophobicContact CG2-CG 4.15Å; S182-Y224 PolarHBondContact OG-OH 3.49Å; A220-Y224 PolarHBondContact O-N 3.14Å; S221-Y224 WeakPolarHBondContact O-CB 3.28Å; S221-Y224 PolarHBondContact O-N 2.91Å; Y224-D226 PolarHBondContact O-N 3.39Å; Y224-H227 PolarHBondContact O-N 2.7Å; Y224-F228 HydrophobicContact CD1-CB 4.32Å; Y224-F228 HydrophobicContact CE1-CB 4Å; Y224-F228 HydrophobicContact CE1-CD1 4.43Å; Y224-F228 HydrophobicContact CE1-CG 4.09Å; Y224-F228 WeakPolarHBondContact O-CB 3.44Å; Y224-F228 PolarHBondContact O-N 3.08Å
225L98.4Very high97.6Very high4 Ų444.1 Ų44.12%0.02123%0.228CC..Hα-helixtrans-60.6-40.6-179.1-69-177.5000114N177 A181 T202 S221 K222 A223 S229N177-L225 WeakPolarHBondContact O-CD2 3.35Å; A181-L225 HydrophobicContact CB-CD2 3.37Å; T202-L225 HydrophobicContact CG2-CB 3.85Å; T202-L225 HydrophobicContact CG2-CD1 4.08Å; T202-L225 HydrophobicContact CG2-CD2 3.8Å; T202-L225 HydrophobicContact CG2-CG 4.12Å; S221-L225 WeakPolarHBondContact O-CG 3.48Å; S221-L225 PolarHBondContact O-N 3.3Å; S221-L225 VanDerWaalsContact O-N 3.09Å; K222-L225 HydrophobicContact CD-CD1 3.92Å; K222-L225 PolarHBondContact O-N 3.5Å; A223-L225 PolarHBondContact O-N 3.43Å; L225-S229 WeakPolarHBondContact O-CB 3.5Å; L225-S229 PolarHBondContact O-N 3.17Å; L225-S229 VanDerWaalsContact O-N 3.11Å; L225-S229 PolarHBondContact O-OG 3.43Å
226D98.3Very high97.8Very high8 Ų846.3 Ų46.34%0.04324%0.236CC..Hα-helixtrans-63.8-48.9175.3177.155.1000110.7K222 A223 Y224 R230 S245 R288K222-D226 PolarHBondContact O-N 3.1Å; K222-D226 VanDerWaalsContact O-N 3.09Å; A223-D226 PolarHBondContact O-N 3.47Å; Y224-D226 PolarHBondContact O-N 3.39Å; D226-R230 VanDerWaalsContact O-CD 3.32Å; D226-R230 WeakPolarHBondContact O-CD 3.38Å; D226-R230 VanDerWaalsContact O-CG 3.23Å; D226-R230 WeakPolarHBondContact O-CG 3.47Å; D226-R230 PolarHBondContact O-N 3.32Å; D226-R230 VanDerWaalsContact O-N 3.16Å; D226-R230 WeakPolarHBondContact OD1-CD 3.44Å; D226-R230 IonicContact OD2-NH1 3.5Å; D226-R230 PolarHBondContact OD2-NH1 2.9Å; D226-S245 WeakPolarHBondContact CA-OG 3.13Å; D226-S245 PolarHBondContact OD1-OG 3.36Å; D226-R288 IonicContact OD1-CZ 3.67Å; D226-R288 IonicContact OD1-NE 3.83Å; D226-R288 PolarHBondContact OD1-NE 3.45Å; D226-R288 IonicContact OD1-NH2 3.4Å; D226-R288 IonicContact OD2-CZ 2.9Å; D226-R288 IonicContact OD2-NE 3.41Å; D226-R288 PolarHBondContact OD2-NE 2.93Å; D226-R288 IonicContact OD2-NH2 3.9Å; D226-R288 PolarHBondContact OD2-NH2 3.1Å
227H98.3Very high97.9Very high125 Ų12546.3 Ų46.358%0.57924%0.236SC*.Hα-helixtrans-66.1-46.4-178.1-161.289000112.2A223 Y224 S229 R230 A231A223-H227 WeakPolarHBondContact O-CB 3.45Å; A223-H227 PolarHBondContact O-N 2.91Å; Y224-H227 PolarHBondContact O-N 2.7Å; H227-S229 PolarHBondContact O-N 3.15Å; H227-R230 PolarHBondContact O-N 3.38Å; H227-A231 PolarHBondContact O-N 3.31Å
228F98.6Very high97.9Very high39 Ų3950.7 Ų50.717%0.17127%0.265CS..Hα-helixtrans-55.5-49177174.7-115.1000111.8V185 Y224 R230 A231 L232V185-F228 HydrophobicContact CB-CE1 4.49Å; V185-F228 HydrophobicContact CB-CZ 4.41Å; V185-F228 HydrophobicContact CG2-CE1 4.15Å; Y224-F228 HydrophobicContact CD1-CB 4.32Å; Y224-F228 HydrophobicContact CE1-CB 4Å; Y224-F228 HydrophobicContact CE1-CD1 4.43Å; Y224-F228 HydrophobicContact CE1-CG 4.09Å; Y224-F228 WeakPolarHBondContact O-CB 3.44Å; Y224-F228 PolarHBondContact O-N 3.08Å; F228-R230 VanDerWaalsContact C-N 3.31Å; F228-R230 PolarHBondContact O-N 3.14Å; F228-A231 PolarHBondContact O-N 3.41Å; F228-L232 HydrophobicContact CD1-CD1 4.05Å; F228-L232 HydrophobicContact CD2-CD1 4.36Å; F228-L232 HydrophobicContact CD2-CG 4.44Å; F228-L232 HydrophobicContact CE1-CD1 3.54Å; F228-L232 HydrophobicContact CE2-CD1 3.89Å; F228-L232 HydrophobicContact CE2-CD2 4.38Å; F228-L232 HydrophobicContact CE2-CG 4.12Å; F228-L232 HydrophobicContact CG-CD1 4.45Å; F228-L232 HydrophobicContact CZ-CD1 3.46Å; F228-L232 VanDerWaalsContact CZ-CD1 3.46Å; F228-L232 HydrophobicContact CZ-CG 4.19Å; F228-L232 WeakPolarHBondContact O-CG 3.27Å; F228-L232 PolarHBondContact O-N 3.09Å
229S98.6Very high98.1Very high1 Ų154.3 Ų54.31%0.00728%0.281CS..Hα-helixtrans-63.6-38-180-56.80000112.1T202 L225 H227 Q233 V243T202-S229 WeakPolarHBondContact CB-OG 3.4Å; T202-S229 PolarHBondContact OG1-OG 2.91Å; L225-S229 WeakPolarHBondContact O-CB 3.5Å; L225-S229 PolarHBondContact O-N 3.17Å; L225-S229 VanDerWaalsContact O-N 3.11Å; L225-S229 PolarHBondContact O-OG 3.43Å; H227-S229 PolarHBondContact O-N 3.15Å; S229-Q233 WeakPolarHBondContact O-CB 3.48Å; S229-Q233 PolarHBondContact O-N 3.35Å; S229-V243 VanDerWaalsContact O-CG1 3.26Å; S229-V243 WeakPolarHBondContact O-CG1 3.28Å
230R98.3Very high98.1Very high96 Ų9655.8 Ų55.836%0.36230%0.297SS..Hα-helixtrans-68.8-40.3177.4-70.4163.158.9-166.1-6.6112D226 H227 F228 Q233 Y234D226-R230 VanDerWaalsContact O-CD 3.32Å; D226-R230 WeakPolarHBondContact O-CD 3.38Å; D226-R230 VanDerWaalsContact O-CG 3.23Å; D226-R230 WeakPolarHBondContact O-CG 3.47Å; D226-R230 PolarHBondContact O-N 3.32Å; D226-R230 VanDerWaalsContact O-N 3.16Å; D226-R230 WeakPolarHBondContact OD1-CD 3.44Å; D226-R230 IonicContact OD2-NH1 3.5Å; D226-R230 PolarHBondContact OD2-NH1 2.9Å; H227-R230 PolarHBondContact O-N 3.38Å; F228-R230 VanDerWaalsContact C-N 3.31Å; F228-R230 PolarHBondContact O-N 3.14Å; R230-Q233 WeakPolarHBondContact O-CB 3.4Å; R230-Q233 PolarHBondContact O-N 2.89Å; R230-Y234 WeakPolarHBondContact O-CD2 3.18Å; R230-Y234 PolarHBondContact O-N 3.24Å
231A98.6Very high98.2Very high35 Ų3553 Ų5329%0.28927%0.274SS..Hα-helixtrans-60.2-50.7174.800000110.8H227 F228 Q233 Y234 E235H227-A231 PolarHBondContact O-N 3.31Å; F228-A231 PolarHBondContact O-N 3.41Å; A231-Q233 VanDerWaalsContact C-N 3.28Å; A231-Q233 PolarHBondContact O-N 3.1Å; A231-Y234 PolarHBondContact O-N 2.83Å; A231-E235 PolarHBondContact O-N 2.78Å
232L98.6Very high98.2Very high13 Ų1354.3 Ų54.37%0.06828%0.279CS..Hα-helixtrans-57.8-39.1176.1-71176000113V185 F228 Y234 E235 Y236 V243V185-L232 HydrophobicContact CG1-CD1 3.83Å; V185-L232 HydrophobicContact CG2-CD1 4.35Å; F228-L232 HydrophobicContact CD1-CD1 4.05Å; F228-L232 HydrophobicContact CD2-CD1 4.36Å; F228-L232 HydrophobicContact CD2-CG 4.44Å; F228-L232 HydrophobicContact CE1-CD1 3.54Å; F228-L232 HydrophobicContact CE2-CD1 3.89Å; F228-L232 HydrophobicContact CE2-CD2 4.38Å; F228-L232 HydrophobicContact CE2-CG 4.12Å; F228-L232 HydrophobicContact CG-CD1 4.45Å; F228-L232 HydrophobicContact CZ-CD1 3.46Å; F228-L232 VanDerWaalsContact CZ-CD1 3.46Å; F228-L232 HydrophobicContact CZ-CG 4.19Å; F228-L232 WeakPolarHBondContact O-CG 3.27Å; F228-L232 PolarHBondContact O-N 3.09Å; L232-Y234 VanDerWaalsContact C-N 3.27Å; L232-Y234 PolarHBondContact O-N 3.15Å; L232-E235 PolarHBondContact O-N 3.03Å; L232-Y236 HydrophobicContact CD2-CD2 4.03Å; L232-Y236 HydrophobicContact CD2-CE2 3.78Å; L232-Y236 WeakPolarHBondContact O-CD2 3.25Å; L232-Y236 PolarHBondContact O-N 2.96Å; L232-V243 HydrophobicContact CB-CG1 4.13Å; L232-V243 HydrophobicContact CB-CG2 4.17Å
233Q98.3Very high98.2Very high10 Ų1053.8 Ų53.85%0.04728%0.277CS..Hα-helixtrans-60.3-37.3175.5179.353.578.500112.1S229 R230 A231 A237 V243 K287S229-Q233 WeakPolarHBondContact O-CB 3.48Å; S229-Q233 PolarHBondContact O-N 3.35Å; R230-Q233 WeakPolarHBondContact O-CB 3.4Å; R230-Q233 PolarHBondContact O-N 2.89Å; A231-Q233 VanDerWaalsContact C-N 3.28Å; A231-Q233 PolarHBondContact O-N 3.1Å; Q233-A237 WeakPolarHBondContact O-CB 3.34Å; Q233-A237 PolarHBondContact O-N 3.4Å; Q233-V243 HydrophobicContact CB-CB 3.95Å; Q233-V243 PolarHBondContact OE1-O 3.08Å; Q233-K287 HydrophobicContact CG-CB 4.09Å; Q233-K287 HydrophobicContact CG-CD 3.54Å; Q233-K287 HydrophobicContact CG-CG 3.77Å
234Y98.3Very high98.3Very high190 Ų19051.9 Ų51.975%0.74526%0.262SS*.Hα-helixtrans-73.6-36.4175.5-75.8-68.1000112.3R230 A231 L232R230-Y234 WeakPolarHBondContact O-CD2 3.18Å; R230-Y234 PolarHBondContact O-N 3.24Å; A231-Y234 PolarHBondContact O-N 2.83Å; L232-Y234 VanDerWaalsContact C-N 3.27Å; L232-Y234 PolarHBondContact O-N 3.15Å
235E98.3Very high98.3Very high107 Ų10747.6 Ų47.650%0.525%0.245SC..Hα-helixtrans-70.9-37.7-179.7-71.5176.2-15700113.7A231 L232A231-E235 PolarHBondContact O-N 2.78Å; L232-E235 PolarHBondContact O-N 3.03Å
236Y98.5Very high98.2Very high51 Ų5147.4 Ų47.420%0.224%0.244CC..Hα-helixtrans-114.3-0.7-168.9-64.3-88.7000114.7L189 V193 L232 S238 K239 G240 I241L189-Y236 HydrophobicContact CD1-CD1 4.09Å; L189-Y236 HydrophobicContact CD1-CE1 4.41Å; L189-Y236 HydrophobicContact CD1-CG 4.25Å; L189-Y236 HydrophobicContact CD2-CD1 4.22Å; L189-Y236 HydrophobicContact CD2-CD2 4.08Å; L189-Y236 HydrophobicContact CD2-CE1 3.83Å; L189-Y236 HydrophobicContact CD2-CE2 3.7Å; L189-Y236 HydrophobicContact CD2-CG 4.36Å; L189-Y236 HydrophobicContact CG-CD1 4.38Å; L189-Y236 HydrophobicContact CG-CE1 4.19Å; V193-Y236 HydrophobicContact CG2-CD1 3.59Å; V193-Y236 HydrophobicContact CG2-CE1 3.87Å; L232-Y236 HydrophobicContact CD2-CD2 4.03Å; L232-Y236 HydrophobicContact CD2-CE2 3.78Å; L232-Y236 WeakPolarHBondContact O-CD2 3.25Å; L232-Y236 PolarHBondContact O-N 2.96Å; Y236-S238 VanDerWaalsContact C-N 3.33Å; Y236-S238 PolarHBondContact O-N 3.4Å; Y236-K239 HydrophobicContact CD1-CD 3.55Å; Y236-K239 HydrophobicContact CE1-CD 4Å; Y236-K239 HydrophobicContact CG-CD 4.45Å; Y236-K239 CarbonylContact O-C 3.59Å; Y236-K239 WeakPolarHBondContact O-CA 3.5Å; Y236-K239 WeakPolarHBondContact O-CB 3.49Å; Y236-K239 PolarHBondContact O-N 2.95Å; Y236-G240 PolarHBondContact O-N 3.16Å; Y236-I241 PolarHBondContact O-N 3.33Å; Y236-I241 VanDerWaalsContact O-N 3.16Å
237A97.7Very high98.2Very high47 Ų4747 Ų4739%0.38824%0.242SC..G310 helixtrans-52.9-49.5174.200000112.5Q233 K239 G240Q233-A237 WeakPolarHBondContact O-CB 3.34Å; Q233-A237 PolarHBondContact O-N 3.4Å; A237-K239 PolarHBondContact O-N 3.3Å; A237-G240 PolarHBondContact O-N 3.48Å; A237-G240 VanDerWaalsContact O-N 3.1Å
238S97.5Very high98.1Very high113 Ų11341.5 Ų41.579%0.7922%0.217SC*.G310 helixtrans-68.3-14.7-17956.60000112.9Y236 G240Y236-S238 VanDerWaalsContact C-N 3.33Å; Y236-S238 PolarHBondContact O-N 3.4Å; S238-G240 VanDerWaalsContact C-N 3.35Å
239K98.1Very high97.9Very high91 Ų9141.1 Ų41.140%0.39622%0.215SC..G310 helixtrans-94.39.3176.3-60.5175.2178.4177.20112.5V193 K196 Y236 A237V193-K239 HydrophobicContact CG1-CD 4.12Å; V193-K239 HydrophobicContact CG2-CD 4.45Å; K196-K239 VanDerWaalsContact CA-O 3.32Å; K196-K239 WeakPolarHBondContact CA-O 3.16Å; Y236-K239 HydrophobicContact CD1-CD 3.55Å; Y236-K239 HydrophobicContact CE1-CD 4Å; Y236-K239 HydrophobicContact CG-CD 4.45Å; Y236-K239 CarbonylContact O-C 3.59Å; Y236-K239 WeakPolarHBondContact O-CA 3.5Å; Y236-K239 WeakPolarHBondContact O-CB 3.49Å; Y236-K239 PolarHBondContact O-N 2.95Å; A237-K239 PolarHBondContact O-N 3.3Å
240G97Very high97.5Very high39 Ų3944.6 Ų44.640%0.40223%0.229SC..THydrogen-bonded Turntrans80.414.6177.900000114.6Y236 A237 S238Y236-G240 PolarHBondContact O-N 3.16Å; A237-G240 PolarHBondContact O-N 3.48Å; A237-G240 VanDerWaalsContact O-N 3.1Å; S238-G240 VanDerWaalsContact C-N 3.35Å
241I98.5Very high97Very high3 Ų340.2 Ų40.22%0.01521%0.213CC..EExtended strand (participates in β ladder)trans-99.8128.8179.8-46.6-50.3000110.3L189 M192 V193 I200 Y236 V243L189-I241 HydrophobicContact CD1-CG1 4.19Å; L189-I241 HydrophobicContact CD1-CG2 4.1Å; M192-I241 HydrophobicContact CB-CD1 3.69Å; M192-I241 WeakPolarHBondContact O-CD1 3.33Å; V193-I241 HydrophobicContact CG2-CD1 4.36Å; V193-I241 HydrophobicContact CG2-CG1 4.01Å; I200-I241 HydrophobicContact CD1-CG2 4.41Å; Y236-I241 PolarHBondContact O-N 3.33Å; Y236-I241 VanDerWaalsContact O-N 3.16Å; I241-V243 HydrophobicContact CG2-CG2 3.99Å
242F98.5Very high96.5Very high27 Ų2739.2 Ų39.212%0.11820%0.204CC..EExtended strand (participates in β ladder)trans-96.1126171.7-170.4-95.8000110Y66 G198 A199 I200 Q244 L283 G284 S286 K287Y66-F242 HydrophobicContact CE1-CB 3.92Å; G198-F242 PolarHBondContact O-N 3.41Å; A199-F242 CarbonylContact C-O 3.57Å; A199-F242 WeakPolarHBondContact CA-O 3.44Å; A199-F242 HydrophobicContact CB-CB 4.36Å; I200-F242 PolarHBondContact N-O 2.93Å; F242-Q244 HydrophobicContact CD1-CB 4.41Å; F242-Q244 HydrophobicContact CE1-CB 3.85Å; F242-Q244 HydrophobicContact CE1-CG 4.49Å; F242-L283 HydrophobicContact CD1-CD1 3.95Å; F242-L283 HydrophobicContact CE1-CD1 3.96Å; F242-G284 VanDerWaalsContact CZ-CA 3.45Å; F242-S286 WeakPolarHBondContact CZ-O 3.24Å; F242-K287 HydrophobicContact CE2-CG 4.08Å; F242-K287 HydrophobicContact CZ-CG 4.32Å
243V98.7Very high95.8Very high1 Ų139.7 Ų39.71%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-124123.2178.2-173.40000109.2I200 S229 L232 Q233 I241I200-V243 HydrophobicContact CB-CG1 4.15Å; I200-V243 HydrophobicContact CB-CG2 4.25Å; I200-V243 HydrophobicContact CD1-CG2 4.26Å; I200-V243 HydrophobicContact CG2-CG1 4.24Å; I200-V243 CarbonylContact O-C 3.57Å; I200-V243 WeakPolarHBondContact O-CA 3.24Å; S229-V243 VanDerWaalsContact O-CG1 3.26Å; S229-V243 WeakPolarHBondContact O-CG1 3.28Å; L232-V243 HydrophobicContact CB-CG1 4.13Å; L232-V243 HydrophobicContact CB-CG2 4.17Å; Q233-V243 HydrophobicContact CB-CB 3.95Å; Q233-V243 PolarHBondContact OE1-O 3.08Å; I241-V243 HydrophobicContact CG2-CG2 3.99Å
244Q98.5Very high94.7Very high0 Ų042.5 Ų42.50%023%0.229CC..EExtended strand (participates in β ladder)trans-118128.3-176.4-173.2177.164.600111.2I200 V201 T202 F242 L246 T282 S286 K287 T289I200-Q244 PolarHBondContact O-N 3.35Å; V201-Q244 WeakPolarHBondContact CA-O 3.35Å; V201-Q244 HydrophobicContact CG2-CB 4.42Å; T202-Q244 PolarHBondContact N-O 2.95Å; F242-Q244 HydrophobicContact CD1-CB 4.41Å; F242-Q244 HydrophobicContact CE1-CB 3.85Å; F242-Q244 HydrophobicContact CE1-CG 4.49Å; Q244-L246 HydrophobicContact CG-CD2 4.15Å; Q244-L246 HydrophobicContact CG-CG 4.29Å; Q244-T282 PolarHBondContact NE2-O 2.93Å; Q244-T282 PolarHBondContact NE2-OG1 3.09Å; Q244-S286 WeakPolarHBondContact CG-O 3.35Å; Q244-S286 PolarHBondContact NE2-O 3.46Å; Q244-K287 CarbonylContact C-O 3.54Å; Q244-K287 WeakPolarHBondContact CA-O 3.4Å; Q244-T289 HydrophobicContact CG-CG2 4.47Å
245S98.3Very high93.6Very high0 Ų038.1 Ų38.10%022%0.216CC..EExtended strand (participates in β ladder)trans-93.3121.4161.2-168.30000110.4D226 K287 R288 T289D226-S245 WeakPolarHBondContact CA-OG 3.13Å; D226-S245 PolarHBondContact OD1-OG 3.36Å; S245-K287 PolarHBondContact N-O 2.56Å; S245-R288 WeakPolarHBondContact O-CA 3.32Å; S245-T289 PolarHBondContact O-N 3.48Å; S245-T289 VanDerWaalsContact O-N 3.08Å
246L98Very high92.2Very high0 Ų034 Ų340%020%0.199CC..EExtended strand (participates in β ladder)trans-97.3125.6170.4-70.5-178.5000110Y83 V201 T202 I203 S204 Q244 P248 A279 T289Y83-L246 HydrophobicContact CE2-CD1 3.79Å; V201-L246 HydrophobicContact CG1-CD1 3.44Å; V201-L246 VanDerWaalsContact CG1-CD1 3.44Å; V201-L246 HydrophobicContact CG1-CG 3.84Å; T202-L246 PolarHBondContact O-N 3.22Å; I203-L246 HydrophobicContact CD1-CB 3.86Å; I203-L246 HydrophobicContact CD1-CD1 3.53Å; I203-L246 HydrophobicContact CD1-CG 4.23Å; S204-L246 WeakPolarHBondContact CA-O 3.44Å; S204-L246 WeakPolarHBondContact CB-O 3.34Å; S204-L246 PolarHBondContact N-O 3.01Å; Q244-L246 HydrophobicContact CG-CD2 4.15Å; Q244-L246 HydrophobicContact CG-CG 4.29Å; L246-P248 WeakPolarHBondContact O-CD 3.39Å; L246-A279 HydrophobicContact CD1-CB 4.02Å; L246-T289 CarbonylContact C-O 3.49Å; L246-T289 VanDerWaalsContact CA-O 3.25Å; L246-T289 WeakPolarHBondContact CA-O 3.47Å; L246-T289 HydrophobicContact CD2-CG2 3.47Å; L246-T289 VanDerWaalsContact CD2-CG2 3.47Å
247I97.1Very high90.4Very high0 Ų033.6 Ų33.60%021%0.206CC..  trans-115.368.9-176.3-51.7175.5000109.1S205 R288 T289 T290 F299S205-I247 VanDerWaalsContact C-CG2 3.5Å; S205-I247 WeakPolarHBondContact O-CG2 3.39Å; I247-R288 HydrophobicContact CD1-CG 3.86Å; I247-T289 PolarHBondContact N-O 2.85Å; I247-T290 WeakPolarHBondContact O-CA 3.31Å; I247-T290 VanDerWaalsContact O-CB 3.32Å; I247-T290 WeakPolarHBondContact O-CB 3.38Å; I247-T290 VanDerWaalsContact O-CG2 3.29Å; I247-T290 WeakPolarHBondContact O-CG2 3.34Å; I247-F299 HydrophobicContact CD1-CE2 3.76Å; I247-F299 HydrophobicContact CD1-CZ 3.84Å; I247-F299 HydrophobicContact CG2-CD2 4.36Å; I247-F299 HydrophobicContact CG2-CE2 4.19Å
248P96.3Very high88.7Confident8 Ų835 Ų355%0.05221%0.211CC..  trans-64.3142.3177.124.3-31.4000111.2I79 I203 S205 G206 L246 V251 Y275I79-P248 HydrophobicContact CD1-CG 4.48Å; I203-P248 HydrophobicContact CG2-CG 3.81Å; S205-P248 CarbonylContact C-O 3.57Å; S205-P248 WeakPolarHBondContact CA-O 3.46Å; G206-P248 PolarHBondContact N-O 3.02Å; L246-P248 WeakPolarHBondContact O-CD 3.39Å; P248-V251 HydrophobicContact CB-CG2 4.29Å; P248-Y275 HydrophobicContact CB-CE2 3.76Å; P248-Y275 WeakPolarHBondContact CB-OH 3.48Å
249F93.3Very high87Confident31 Ų3130 Ų3014%0.13618%0.176CC..  trans-83.5-159.5156.9-73-102.6000108.4V251 T290 H295 Q298 F299 A302F249-V251 PolarHBondContact O-N 3.49Å; F249-T290 HydrophobicContact CD2-CG2 4.38Å; F249-T290 HydrophobicContact CE2-CG2 4.17Å; F249-H295 VanDerWaalsContact C-CE1 3.49Å; F249-H295 HydrophobicContact CB-CB 4.41Å; F249-H295 HydrophobicContact CD2-CB 3.91Å; F249-H295 WeakPolarHBondContact CE2-O 3.45Å; F249-H295 PolarHBondContact N-CE1 3.14Å; F249-H295 PolarHBondContact N-ND1 3.18Å; F249-H295 PolarHBondContact O-CE1 2.87Å; F249-Q298 HydrophobicContact CD1-CB 3.99Å; F249-Q298 HydrophobicContact CD2-CB 4.05Å; F249-Q298 HydrophobicContact CE1-CB 3.9Å; F249-Q298 HydrophobicContact CE2-CB 3.97Å; F249-Q298 HydrophobicContact CG-CB 4.06Å; F249-Q298 HydrophobicContact CZ-CB 3.89Å; F249-F299 HydrophobicContact CE2-CB 3.89Å; F249-F299 HydrophobicContact CE2-CD2 4.29Å; F249-F299 HydrophobicContact CZ-CB 4.35Å; F249-A302 HydrophobicContact CZ-CB 4.17Å
250Y90.8Very high85.3Confident74 Ų7429.1 Ų29.129%0.2918%0.181SC..  trans-59.8132.8-177.3-66.8-71.2000112.1T256 L262 V269 H295 L317Y250-T256 HydrophobicContact CD1-CG2 4.23Å; Y250-L262 HydrophobicContact CD1-CD1 3.65Å; Y250-L262 HydrophobicContact CD1-CD2 3.88Å; Y250-L262 HydrophobicContact CD1-CG 4.31Å; Y250-L262 HydrophobicContact CD2-CD2 3.78Å; Y250-L262 HydrophobicContact CE1-CD1 3.49Å; Y250-L262 VanDerWaalsContact CE1-CD1 3.49Å; Y250-L262 HydrophobicContact CE1-CD2 4.3Å; Y250-L262 HydrophobicContact CE2-CD2 4.21Å; Y250-L262 HydrophobicContact CG-CD1 4.25Å; Y250-L262 HydrophobicContact CG-CD2 3.59Å; Y250-L262 HydrophobicContact CG-CG 4.49Å; Y250-V269 WeakPolarHBondContact O-CA 3.19Å; Y250-H295 PolarHBondContact O-CE1 3.25Å; Y250-H295 VanDerWaalsContact O-CE1 3.22Å; Y250-H295 PolarHBondContact O-NE2 3.37Å; Y250-H295 VanDerWaalsContact O-NE2 3.09Å; Y250-L317 HydrophobicContact CE2-CD2 3.93Å; Y250-L317 WeakPolarHBondContact OH-CD2 3.38Å
251V89.1Confident83.6Confident4 Ų434 Ų342%0.02419%0.191CC..  trans-127.3135.6173-179.70000106.5I79 P248 F249 T253 T256 P270 P272 Y275I79-V251 HydrophobicContact CD1-CB 4.08Å; I79-V251 HydrophobicContact CD1-CG1 4.36Å; I79-V251 HydrophobicContact CD1-CG2 3.93Å; I79-V251 HydrophobicContact CG1-CB 4.29Å; I79-V251 HydrophobicContact CG1-CG1 4.02Å; I79-V251 HydrophobicContact CG1-CG2 4.43Å; P248-V251 HydrophobicContact CB-CG2 4.29Å; F249-V251 PolarHBondContact O-N 3.49Å; V251-T253 HydrophobicContact CB-CG2 4.32Å; V251-T253 HydrophobicContact CG1-CG2 4.07Å; V251-T253 PolarHBondContact O-N 2.86Å; V251-T253 PolarHBondContact O-OG1 3.3Å; V251-T256 PolarHBondContact O-OG1 3.14Å; V251-P270 WeakPolarHBondContact CG1-O 3.38Å; V251-P270 HydrophobicContact CG2-CG 4.37Å; V251-P272 HydrophobicContact CG1-CB 4.37Å; V251-P272 HydrophobicContact CG1-CG 4.14Å; V251-Y275 HydrophobicContact CG1-CG 4.45Å; V251-Y275 HydrophobicContact CG2-CD1 4.44Å; V251-Y275 HydrophobicContact CG2-CD2 3.81Å; V251-Y275 HydrophobicContact CG2-CE2 4.3Å; V251-Y275 HydrophobicContact CG2-CG 3.9Å
252A88.1Confident82.2Confident14 Ų1434.1 Ų34.112%0.11619%0.192CC..  trans-69.291.3-176.200000110.6V269 P270 P272A252-V269 HydrophobicContact CB-CG1 4.16Å; A252-P270 PolarHBondContact N-O 3.1Å; A252-P272 WeakPolarHBondContact O-CD 3.18Å; A252-P272 WeakPolarHBondContact O-CG 3.35Å
253T83.4Confident80.7Confident23 Ų2338.1 Ų38.114%0.14121%0.211CC..SBendtrans-124.7167.7-178.359.80000110I79 V251 M255 T256 A257 P272I79-T253 HydrophobicContact CG1-CG2 4.15Å; V251-T253 HydrophobicContact CB-CG2 4.32Å; V251-T253 HydrophobicContact CG1-CG2 4.07Å; V251-T253 PolarHBondContact O-N 2.86Å; V251-T253 PolarHBondContact O-OG1 3.3Å; T253-M255 PolarHBondContact O-N 3.32Å; T253-M255 VanDerWaalsContact O-N 3.13Å; T253-M255 PolarHBondContact OG1-N 3.43Å; T253-T256 PolarHBondContact N-OG1 3.5Å; T253-T256 CarbonylContact O-C 3.51Å; T253-T256 PolarHBondContact O-N 2.82Å; T253-T256 PolarHBondContact O-OG1 3.49Å; T253-A257 PolarHBondContact O-N 3.22Å; T253-P272 HydrophobicContact CG2-CG 3.92Å
254S74.8Confident79.4Confident70 Ų7046.8 Ų46.849%0.4924%0.244SC..THydrogen-bonded Turntrans-56-28.6171.6-54.30000113D77 T256 A257D77-S254 WeakPolarHBondContact OD2-CB 3.49Å; D77-S254 PolarHBondContact OD2-OG 2.89Å; S254-T256 VanDerWaalsContact C-N 3.3Å; S254-T256 PolarHBondContact O-N 2.93Å; S254-A257 VanDerWaalsContact O-CB 3.29Å; S254-A257 WeakPolarHBondContact O-CB 3.18Å; S254-A257 PolarHBondContact O-N 2.98Å
255M74.6Confident78.3Confident97 Ų9750.9 Ų50.948%0.47827%0.272SS..THydrogen-bonded Turntrans-66.9-29.4175.2-173.9-179.5-70.900112.8G153 F155 T253G153-M255 WeakPolarHBondContact O-CE 3.42Å; F155-M255 HydrophobicContact CB-CE 4.39Å; F155-M255 HydrophobicContact CB-CG 3.95Å; F155-M255 HydrophobicContact CB-SD 3.74Å; F155-M255 HydrophobicContact CG-SD 4.45Å; T253-M255 PolarHBondContact O-N 3.32Å; T253-M255 VanDerWaalsContact O-N 3.13Å; T253-M255 PolarHBondContact OG1-N 3.43Å
256T69.3Low77.6Confident21 Ų2153.3 Ų53.313%0.12929%0.288CS..THydrogen-bonded Turntrans-99-1.5177.1600000112.8Y250 V251 T253 S254 S259Y250-T256 HydrophobicContact CD1-CG2 4.23Å; V251-T256 PolarHBondContact O-OG1 3.14Å; T253-T256 PolarHBondContact N-OG1 3.5Å; T253-T256 CarbonylContact O-C 3.51Å; T253-T256 PolarHBondContact O-N 2.82Å; T253-T256 PolarHBondContact O-OG1 3.49Å; S254-T256 VanDerWaalsContact C-N 3.3Å; S254-T256 PolarHBondContact O-N 2.93Å; T256-S259 PolarHBondContact O-N 3.35Å; T256-S259 VanDerWaalsContact O-N 3.16Å
257A61.3Low76.8Confident42 Ų4260.3 Ų60.335%0.34732%0.315SS..THydrogen-bonded Turntrans-59.1-31.5-177.600000115.5T253 S254 S259T253-A257 PolarHBondContact O-N 3.22Å; S254-A257 VanDerWaalsContact O-CB 3.29Å; S254-A257 WeakPolarHBondContact O-CB 3.18Å; S254-A257 PolarHBondContact O-N 2.98Å; A257-S259 PolarHBondContact O-N 3.49Å
258P60.9Low76.4Confident77 Ų7763.2 Ų63.250%0.533%0.33SS..THydrogen-bonded Turntrans-61.7-14.5175.6-25.835.8000114.6
259S62.3Low76.1Confident8 Ų863.1 Ų63.16%0.05633%0.329CS..  trans-103.2121.4174.3-178.40000111.8T256 A257 F261 L262 H263 L321 E324T256-S259 PolarHBondContact O-N 3.35Å; T256-S259 VanDerWaalsContact O-N 3.16Å; A257-S259 PolarHBondContact O-N 3.49Å; S259-F261 PolarHBondContact O-N 3.36Å; S259-F261 PolarHBondContact OG-N 3.23Å; S259-L262 PolarHBondContact O-N 2.98Å; S259-H263 VanDerWaalsContact O-CB 3.29Å; S259-H263 WeakPolarHBondContact O-CB 3.39Å; S259-H263 PolarHBondContact O-N 2.8Å; S259-L321 VanDerWaalsContact OG-CD2 3.31Å; S259-L321 WeakPolarHBondContact OG-CD2 3.4Å; S259-E324 WeakPolarHBondContact CA-OE2 3.39Å; S259-E324 WeakPolarHBondContact CB-OE2 3.4Å; S259-E324 PolarHBondContact OG-OE2 2.98Å
260S63.1Low76.1Confident72 Ų7261.8 Ų61.850%0.50332%0.324SS..THydrogen-bonded Turntrans-60.1-27.3176.464.60000113R264 E324S260-R264 WeakPolarHBondContact O-CG 3.37Å; S260-E324 WeakPolarHBondContact CB-OE1 3.47Å; S260-E324 PolarHBondContact N-OE1 3.47Å; S260-E324 PolarHBondContact OG-OE1 3.45Å
261F61.2Low76.2Confident141 Ų14159.8 Ų59.862%0.61832%0.321SS*.THydrogen-bonded Turntrans-78.5-46.6175.6178.7-106.5000112S259 R264S259-F261 PolarHBondContact O-N 3.36Å; S259-F261 PolarHBondContact OG-N 3.23Å; F261-R264 PolarHBondContact O-N 3.25Å
262L68.1Low76.5Confident6 Ų660.7 Ų60.73%0.03133%0.327CS..THydrogen-bonded Turntrans-82.8-13.2-174.5-58.5174.9000113.8Y250 S259 V269 L321Y250-L262 HydrophobicContact CD1-CD1 3.65Å; Y250-L262 HydrophobicContact CD1-CD2 3.88Å; Y250-L262 HydrophobicContact CD1-CG 4.31Å; Y250-L262 HydrophobicContact CD2-CD2 3.78Å; Y250-L262 HydrophobicContact CE1-CD1 3.49Å; Y250-L262 VanDerWaalsContact CE1-CD1 3.49Å; Y250-L262 HydrophobicContact CE1-CD2 4.3Å; Y250-L262 HydrophobicContact CE2-CD2 4.21Å; Y250-L262 HydrophobicContact CG-CD1 4.25Å; Y250-L262 HydrophobicContact CG-CD2 3.59Å; Y250-L262 HydrophobicContact CG-CG 4.49Å; S259-L262 PolarHBondContact O-N 2.98Å; L262-V269 HydrophobicContact CD2-CG2 4.5Å; L262-L321 HydrophobicContact CD1-CD1 4.21Å; L262-L321 HydrophobicContact CD1-CD2 3.78Å; L262-L321 HydrophobicContact CG-CD2 4.47Å
263H66.8Low76.8Confident111 Ų11166.7 Ų66.751%0.51435%0.35SS..THydrogen-bonded Turntrans-78.6-20.9172-172.2-99.1000112.7S259S259-H263 VanDerWaalsContact O-CB 3.29Å; S259-H263 WeakPolarHBondContact O-CB 3.39Å; S259-H263 PolarHBondContact O-N 2.8Å
264R71.5Confident77.4Confident183 Ų18368.4 Ų68.469%0.69136%0.361SS*.SBendtrans-81.2124.1-179.6-69179-174.2-162.70.9110.9S260 F261 S266S260-R264 WeakPolarHBondContact O-CG 3.37Å; F261-R264 PolarHBondContact O-N 3.25Å; R264-S266 PolarHBondContact O-N 2.76Å
265C76.4Confident78.4Confident87 Ų8765.1 Ų65.159%0.58834%0.337SS*.  trans-63.3126.7173-70.10000110.1V269C265-V269 WeakPolarHBondContact CA-O 3.16Å
266S82.6Confident79.5Confident50 Ų5060.5 Ų60.535%0.3531%0.314SS..  trans-143.4173174.667.70000109.8R264 L268 V269R264-S266 PolarHBondContact O-N 2.76Å; S266-L268 PolarHBondContact O-N 3.22Å; S266-L268 PolarHBondContact OG-N 3.34Å; S266-V269 PolarHBondContact N-O 2.94Å; S266-V269 CarbonylContact O-C 3.52Å; S266-V269 PolarHBondContact O-N 3Å; S266-V269 VanDerWaalsContact O-N 3.14Å; S266-V269 PolarHBondContact OG-N 3.38Å; S266-V269 VanDerWaalsContact OG-N 3.1Å
267W82.4Confident80.7Confident148 Ų14862.5 Ų62.556%0.56132%0.322SS*.SBendtrans-64.8-20.2175.772.2-85.5000113Y292 W293 S294W267-Y292 WeakPolarHBondContact O-CE1 3.32Å; W267-W293 HydrophobicContact CE3-CH2 4.02Å; W267-W293 HydrophobicContact CZ3-CH2 4.45Å; W267-S294 WeakPolarHBondContact O-CB 3.5Å; W267-S294 PolarHBondContact O-OG 3.18Å
268L87.9Confident82.2Confident60 Ų6061.6 Ų61.631%0.31431%0.311SS..SBendtrans-90.3-25.9173.1-70.6170.9000112.9S266 H295 Q298S266-L268 PolarHBondContact O-N 3.22Å; S266-L268 PolarHBondContact OG-N 3.34Å; L268-H295 PolarHBondContact O-CD2 3.27Å; L268-H295 PolarHBondContact O-NE2 3.13Å; L268-Q298 HydrophobicContact CD2-CG 4.2Å
269V90.1Very high83.9Confident6 Ų658 Ų584%0.03629%0.287CS..SBendtrans-12580.6-178-171.80000108.4Y250 A252 L262 C265 S266Y250-V269 WeakPolarHBondContact O-CA 3.19Å; A252-V269 HydrophobicContact CB-CG1 4.16Å; L262-V269 HydrophobicContact CD2-CG2 4.5Å; C265-V269 WeakPolarHBondContact CA-O 3.16Å; S266-V269 PolarHBondContact N-O 2.94Å; S266-V269 CarbonylContact O-C 3.52Å; S266-V269 PolarHBondContact O-N 3Å; S266-V269 VanDerWaalsContact O-N 3.14Å; S266-V269 PolarHBondContact OG-N 3.38Å; S266-V269 VanDerWaalsContact OG-N 3.1Å
270P93.3Very high85.5Confident4 Ų457.6 Ų57.63%0.02629%0.285CS..  trans-67.4160.7-177.530.3-37000111.3V251 A252 V274 Y275 Y292 H295V251-P270 WeakPolarHBondContact CG1-O 3.38Å; V251-P270 HydrophobicContact CG2-CG 4.37Å; A252-P270 PolarHBondContact N-O 3.1Å; P270-V274 HydrophobicContact CB-CB 4.29Å; P270-V274 HydrophobicContact CB-CG1 4.12Å; P270-Y275 HydrophobicContact CG-CD2 4.33Å; P270-Y292 HydrophobicContact CB-CD1 4.22Å; P270-Y292 HydrophobicContact CB-CE1 3.81Å; P270-Y292 HydrophobicContact CB-CE2 4.42Å; P270-Y292 HydrophobicContact CG-CD1 3.69Å; P270-Y292 HydrophobicContact CG-CE1 3.73Å; P270-Y292 HydrophobicContact CG-CG 4.21Å; P270-H295 WeakPolarHBondContact CD-NE2 3.44Å
271S93.8Very high87Confident32 Ų3255.2 Ų55.222%0.22427%0.268CS..  trans-67.7157.2164.9740000110.4K273 V274 Y275S271-K273 VanDerWaalsContact C-N 3.25Å; S271-K273 PolarHBondContact O-N 3.11Å; S271-V274 PolarHBondContact O-N 3.01Å; S271-V274 WeakPolarHBondContact OG-CG2 3.29Å; S271-V274 PolarHBondContact OG-N 3.2Å; S271-Y275 WeakPolarHBondContact O-CB 3.26Å; S271-Y275 PolarHBondContact O-N 2.81Å
272P95Very high88.6Confident23 Ų2348.5 Ų48.515%0.14924%0.238CC..Hα-helixtrans-60.1-36.6-179.7-2536.3000112.6G78 A82 V251 A252 T253 Y275 A276G78-P272 WeakPolarHBondContact O-CB 3.49Å; A82-P272 HydrophobicContact CB-CB 3.78Å; A82-P272 VanDerWaalsContact CB-O 3.27Å; A82-P272 WeakPolarHBondContact CB-O 3.39Å; V251-P272 HydrophobicContact CG1-CB 4.37Å; V251-P272 HydrophobicContact CG1-CG 4.14Å; A252-P272 WeakPolarHBondContact O-CD 3.18Å; A252-P272 WeakPolarHBondContact O-CG 3.35Å; T253-P272 HydrophobicContact CG2-CG 3.92Å; P272-Y275 PolarHBondContact O-N 3.38Å; P272-A276 VanDerWaalsContact O-CB 3.26Å; P272-A276 WeakPolarHBondContact O-CB 3.36Å; P272-A276 PolarHBondContact O-N 3.06Å
273K95Very high89.9Confident140 Ų14048.5 Ų48.561%0.60924%0.238SC*.Hα-helixtrans-62.5-48.4176.3-67.9-171175-169.20112.2A82 E85 S271 Y275 A276 H277A82-K273 HydrophobicContact CB-CG 4.35Å; E85-K273 VanDerWaalsContact OE2-CE 3.31Å; E85-K273 WeakPolarHBondContact OE2-CE 3.23Å; E85-K273 IonicContact OE2-NZ 2.93Å; S271-K273 VanDerWaalsContact C-N 3.25Å; S271-K273 PolarHBondContact O-N 3.11Å; K273-Y275 VanDerWaalsContact C-N 3.35Å; K273-A276 PolarHBondContact O-N 2.95Å; K273-H277 WeakPolarHBondContact O-CB 3.35Å; K273-H277 PolarHBondContact O-N 2.63Å
274V94.8Very high91.1Very high59 Ų5944.6 Ų44.636%0.35823%0.228SC..Hα-helixtrans-63.2-44.4176.5172.30000110.3P270 S271 H278 Y292P270-V274 HydrophobicContact CB-CB 4.29Å; P270-V274 HydrophobicContact CB-CG1 4.12Å; S271-V274 PolarHBondContact O-N 3.01Å; S271-V274 WeakPolarHBondContact OG-CG2 3.29Å; S271-V274 PolarHBondContact OG-N 3.2Å; V274-H278 PolarHBondContact O-CD2 2.85Å; V274-H278 PolarHBondContact O-N 3.29Å; V274-Y292 HydrophobicContact CG1-CE2 3.84Å
275Y96.4Very high92.1Very high0 Ų039.7 Ų39.70%022%0.215CC..Hα-helixtrans-59.5-50177.5176.7-94.5000112I79 P248 V251 P270 S271 P272 K273 H277 H278 A279 T290I79-Y275 HydrophobicContact CD1-CD1 4.31Å; I79-Y275 HydrophobicContact CD1-CE1 4.2Å; I79-Y275 HydrophobicContact CG1-CD1 4.13Å; I79-Y275 HydrophobicContact CG1-CE1 4.41Å; I79-Y275 HydrophobicContact CG2-CD1 3.96Å; I79-Y275 HydrophobicContact CG2-CE1 3.8Å; P248-Y275 HydrophobicContact CB-CE2 3.76Å; P248-Y275 WeakPolarHBondContact CB-OH 3.48Å; V251-Y275 HydrophobicContact CG1-CG 4.45Å; V251-Y275 HydrophobicContact CG2-CD1 4.44Å; V251-Y275 HydrophobicContact CG2-CD2 3.81Å; V251-Y275 HydrophobicContact CG2-CE2 4.3Å; V251-Y275 HydrophobicContact CG2-CG 3.9Å; P270-Y275 HydrophobicContact CG-CD2 4.33Å; S271-Y275 WeakPolarHBondContact O-CB 3.26Å; S271-Y275 PolarHBondContact O-N 2.81Å; P272-Y275 PolarHBondContact O-N 3.38Å; K273-Y275 VanDerWaalsContact C-N 3.35Å; Y275-H277 PolarHBondContact O-N 3.26Å; Y275-H278 PolarHBondContact O-N 3.24Å; Y275-A279 HydrophobicContact CD1-CB 4.41Å; Y275-A279 HydrophobicContact CE1-CB 3.98Å; Y275-A279 VanDerWaalsContact O-CB 3.29Å; Y275-A279 WeakPolarHBondContact O-CB 3.5Å; Y275-A279 PolarHBondContact O-N 3.16Å; Y275-T290 VanDerWaalsContact CE2-O 3.27Å; Y275-T290 WeakPolarHBondContact CE2-O 3.32Å; Y275-T290 PolarHBondContact OH-O 3Å
276A97Very high92.9Very high0 Ų036.8 Ų36.80%020%0.195CC..Hα-helixtrans-60.5-45.7-178.900000112.1A82 E86 P272 K273 H278 A279 V280A82-A276 VanDerWaalsContact C-CB 3.41Å; A82-A276 HydrophobicContact CB-CB 3.71Å; A82-A276 WeakPolarHBondContact O-CB 3.39Å; E86-A276 HydrophobicContact CB-CB 4.34Å; P272-A276 VanDerWaalsContact O-CB 3.26Å; P272-A276 WeakPolarHBondContact O-CB 3.36Å; P272-A276 PolarHBondContact O-N 3.06Å; K273-A276 PolarHBondContact O-N 2.95Å; A276-H278 VanDerWaalsContact C-N 3.29Å; A276-H278 PolarHBondContact O-N 2.83Å; A276-A279 PolarHBondContact O-N 3.03Å; A276-A279 VanDerWaalsContact O-N 3.13Å; A276-V280 WeakPolarHBondContact O-CG2 3.44Å; A276-V280 PolarHBondContact O-N 3.16Å
277H94.6Very high93.5Very high64 Ų6439.3 Ų39.330%0.29620%0.2SC..Hα-helixtrans-53.3-48.4176.5-177.467.2000112.1E86 K273 Y275 S281E86-H277 IonicContact OE1-ND1 3.23Å; E86-H277 WeakPolarHBondContact OE2-CA 2.97Å; E86-H277 IonicContact OE2-CG 2.82Å; E86-H277 IonicContact OE2-ND1 3.99Å; E86-H277 PolarHBondContact OE2-ND1 3.14Å; K273-H277 WeakPolarHBondContact O-CB 3.35Å; K273-H277 PolarHBondContact O-N 2.63Å; Y275-H277 PolarHBondContact O-N 3.26Å; H277-S281 PolarHBondContact O-N 2.8Å
278H94.2Very high94.1Very high23 Ų2336 Ų3611%0.10619%0.188CC..Hα-helixtrans-68-44.2176.7-76.6-113.4000111.8R55 V274 Y275 A276 V280 S281 T282 G291 Y292 W293R55-H278 PolarHBondContact NH2-CE1 3.32Å; R55-H278 PolarHBondContact NH2-ND1 3.16Å; V274-H278 PolarHBondContact O-CD2 2.85Å; V274-H278 PolarHBondContact O-N 3.29Å; Y275-H278 PolarHBondContact O-N 3.24Å; A276-H278 VanDerWaalsContact C-N 3.29Å; A276-H278 PolarHBondContact O-N 2.83Å; H278-V280 PolarHBondContact O-N 3.42Å; H278-S281 WeakPolarHBondContact O-CB 3.16Å; H278-S281 PolarHBondContact O-N 3.01Å; H278-S281 VanDerWaalsContact O-N 3.17Å; H278-S281 PolarHBondContact O-OG 2.93Å; H278-T282 PolarHBondContact O-N 2.87Å; H278-G291 CarbonylContact C-O 3.54Å; H278-G291 VanDerWaalsContact CB-O 3.22Å; H278-G291 WeakPolarHBondContact CB-O 3.22Å; H278-Y292 HydrophobicContact CB-CD2 3.86Å; H278-Y292 AromaticContact CD2-CE2 3.97Å; H278-Y292 AromaticContact CE1-CE2 3.8Å; H278-Y292 AromaticContact CG-CD2 3.58Å; H278-Y292 AromaticContact CG-CE2 3.93Å; H278-Y292 AromaticContact ND1-CD2 3.62Å; H278-Y292 AromaticContact ND1-CE2 3.82Å; H278-Y292 AromaticContact NE2-CE2 3.88Å; H278-W293 AromaticContact CE1-CD1 3.79Å; H278-W293 AromaticContact ND1-CD1 3.95Å
279A96.2Very high94.5Very high0 Ų033.4 Ų33.40%017%0.174CC..Hα-helixtrans-63.3-46.5-17600000112.1Y83 L246 Y275 A276 S281 T282 G291Y83-A279 HydrophobicContact CD2-CB 4.42Å; Y83-A279 HydrophobicContact CE2-CB 3.84Å; L246-A279 HydrophobicContact CD1-CB 4.02Å; Y275-A279 HydrophobicContact CD1-CB 4.41Å; Y275-A279 HydrophobicContact CE1-CB 3.98Å; Y275-A279 VanDerWaalsContact O-CB 3.29Å; Y275-A279 WeakPolarHBondContact O-CB 3.5Å; Y275-A279 PolarHBondContact O-N 3.16Å; A276-A279 PolarHBondContact O-N 3.03Å; A276-A279 VanDerWaalsContact O-N 3.13Å; A279-S281 PolarHBondContact O-N 2.65Å; A279-T282 PolarHBondContact O-N 3.42Å; A279-T282 PolarHBondContact O-OG1 2.91Å; A279-G291 WeakPolarHBondContact CA-O 3.5Å; A279-G291 PolarHBondContact N-O 3.28Å; A279-G291 VanDerWaalsContact N-O 3.12Å
280V95.8Very high94.7Very high1 Ų133.2 Ų33.21%0.00617%0.173CC..Hα-helixtrans-64.1-30.6177.4-177.50000111.2L62 Y83 E86 L87 A276 H278 T282 L283L62-V280 HydrophobicContact CD1-CG1 3.96Å; Y83-V280 HydrophobicContact CD1-CG2 3.86Å; Y83-V280 HydrophobicContact CD2-CG2 4.03Å; Y83-V280 HydrophobicContact CE1-CG2 3.51Å; Y83-V280 HydrophobicContact CE2-CG2 3.69Å; Y83-V280 HydrophobicContact CG-CG2 4.11Å; Y83-V280 VanDerWaalsContact CZ-CG2 3.41Å; E86-V280 HydrophobicContact CB-CG2 4.08Å; E86-V280 HydrophobicContact CG-CB 3.64Å; E86-V280 HydrophobicContact CG-CG1 4.08Å; E86-V280 HydrophobicContact CG-CG2 3.51Å; L87-V280 HydrophobicContact CD2-CG1 3.86Å; L87-V280 HydrophobicContact CD2-CG2 4.37Å; A276-V280 WeakPolarHBondContact O-CG2 3.44Å; A276-V280 PolarHBondContact O-N 3.16Å; H278-V280 PolarHBondContact O-N 3.42Å; V280-T282 PolarHBondContact O-N 2.65Å; V280-L283 VanDerWaalsContact O-CB 3.3Å; V280-L283 WeakPolarHBondContact O-CB 3.49Å; V280-L283 PolarHBondContact O-N 3.24Å
281S93.3Very high94.8Very high21 Ų2133 Ų3315%0.14717%0.172CC..Hα-helixtrans-63.9-20.4174.380.80000113.9H277 H278 A279 I285H277-S281 PolarHBondContact O-N 2.8Å; H278-S281 WeakPolarHBondContact O-CB 3.16Å; H278-S281 PolarHBondContact O-N 3.01Å; H278-S281 VanDerWaalsContact O-N 3.17Å; H278-S281 PolarHBondContact O-OG 2.93Å; A279-S281 PolarHBondContact O-N 2.65Å; S281-I285 WeakPolarHBondContact O-CD1 3.29Å
282T94.8Very high94.8Very high0 Ų032.3 Ų32.30%016%0.164CC..THydrogen-bonded Turntrans-90.1-9.6177.671.30000113.9L50 Q244 H278 A279 V280 G284 I285 S286 T289L50-T282 HydrophobicContact CD1-CG2 4.1Å; L50-T282 HydrophobicContact CG-CG2 4.12Å; Q244-T282 PolarHBondContact NE2-O 2.93Å; Q244-T282 PolarHBondContact NE2-OG1 3.09Å; H278-T282 PolarHBondContact O-N 2.87Å; A279-T282 PolarHBondContact O-N 3.42Å; A279-T282 PolarHBondContact O-OG1 2.91Å; V280-T282 PolarHBondContact O-N 2.65Å; T282-G284 PolarHBondContact O-N 3.04Å; T282-I285 PolarHBondContact O-N 2.98Å; T282-I285 VanDerWaalsContact O-N 3.08Å; T282-S286 PolarHBondContact O-N 2.94Å; T282-T289 HydrophobicContact CG2-CG2 4.46Å; T282-T289 WeakPolarHBondContact OG1-CG2 3.21Å
283L95.3Very high94.7Very high6 Ų635 Ų353%0.03117%0.172CC..THydrogen-bonded Turntrans-64.4130.2-178.3-175.458.1000110.4L62 Y66 I147 A199 V201 F242 V280 I285L62-L283 HydrophobicContact CD1-CD2 4.46Å; L62-L283 HydrophobicContact CD2-CD2 4.33Å; Y66-L283 HydrophobicContact CE2-CD2 4.49Å; Y66-L283 HydrophobicContact CE2-CG 4.28Å; I147-L283 HydrophobicContact CD1-CD2 3.94Å; A199-L283 HydrophobicContact CB-CD1 4.29Å; V201-L283 HydrophobicContact CG2-CD1 3.46Å; V201-L283 VanDerWaalsContact CG2-CD1 3.46Å; V201-L283 HydrophobicContact CG2-CD2 4.36Å; F242-L283 HydrophobicContact CD1-CD1 3.95Å; F242-L283 HydrophobicContact CE1-CD1 3.96Å; V280-L283 VanDerWaalsContact O-CB 3.3Å; V280-L283 WeakPolarHBondContact O-CB 3.49Å; V280-L283 PolarHBondContact O-N 3.24Å; L283-I285 VanDerWaalsContact C-N 3.27Å; L283-I285 PolarHBondContact O-N 3.43Å
284G92.3Very high94.6Very high29 Ų2928.4 Ų28.430%0.29914%0.143SC..THydrogen-bonded Turntrans83.4-7.7-173.700000115.1Y66 F242 T282Y66-G284 WeakPolarHBondContact OH-CA 3.18Å; F242-G284 VanDerWaalsContact CZ-CA 3.45Å; T282-G284 PolarHBondContact O-N 3.04Å
285I92.2Very high94.6Very high81 Ų8125.6 Ų25.642%0.41513%0.126SC..THydrogen-bonded Turntrans-107.9-50.2-177.2-60.3161.1000111L50 P54 S281 T282 L283L50-I285 HydrophobicContact CD1-CB 4.13Å; L50-I285 HydrophobicContact CD1-CG2 3.63Å; P54-I285 HydrophobicContact CB-CD1 3.73Å; P54-I285 HydrophobicContact CG-CD1 3.61Å; S281-I285 WeakPolarHBondContact O-CD1 3.29Å; T282-I285 PolarHBondContact O-N 2.98Å; T282-I285 VanDerWaalsContact O-N 3.08Å; L283-I285 VanDerWaalsContact C-N 3.27Å; L283-I285 PolarHBondContact O-N 3.43Å
286S93.4Very high94.4Very high25 Ų2525.8 Ų25.818%0.17513%0.127CC..  trans-119.6132.6178.5-177.80000111.9F242 Q244 T282 R288F242-S286 WeakPolarHBondContact CZ-O 3.24Å; Q244-S286 WeakPolarHBondContact CG-O 3.35Å; Q244-S286 PolarHBondContact NE2-O 3.46Å; T282-S286 PolarHBondContact O-N 2.94Å; S286-R288 VanDerWaalsContact C-N 3.34Å; S286-R288 PolarHBondContact OG-N 3.05Å; S286-R288 PolarHBondContact OG-O 3.13Å
287K95.6Very high94.1Very high104 Ų10428.5 Ų28.545%0.45214%0.141SC..SBendtrans-78-21.4177.2-60.4163.4173-173.90112.4Q233 F242 Q244 S245Q233-K287 HydrophobicContact CG-CB 4.09Å; Q233-K287 HydrophobicContact CG-CD 3.54Å; Q233-K287 HydrophobicContact CG-CG 3.77Å; F242-K287 HydrophobicContact CE2-CG 4.08Å; F242-K287 HydrophobicContact CZ-CG 4.32Å; Q244-K287 CarbonylContact C-O 3.54Å; Q244-K287 WeakPolarHBondContact CA-O 3.4Å; S245-K287 PolarHBondContact N-O 2.56Å
288R95.8Very high93.9Very high79 Ų7927.6 Ų27.630%0.29814%0.137SC..EExtended strand (participates in β ladder)trans-145.9112-178.6-169.8-174.9-169.3-135.10.5108.8D226 S245 I247 S286D226-R288 IonicContact OD1-CZ 3.67Å; D226-R288 IonicContact OD1-NE 3.83Å; D226-R288 PolarHBondContact OD1-NE 3.45Å; D226-R288 IonicContact OD1-NH2 3.4Å; D226-R288 IonicContact OD2-CZ 2.9Å; D226-R288 IonicContact OD2-NE 3.41Å; D226-R288 PolarHBondContact OD2-NE 2.93Å; D226-R288 IonicContact OD2-NH2 3.9Å; D226-R288 PolarHBondContact OD2-NH2 3.1Å; S245-R288 WeakPolarHBondContact O-CA 3.32Å; I247-R288 HydrophobicContact CD1-CG 3.86Å; S286-R288 VanDerWaalsContact C-N 3.34Å; S286-R288 PolarHBondContact OG-N 3.05Å; S286-R288 PolarHBondContact OG-O 3.13Å
289T95.6Very high93.8Very high5 Ų527.6 Ų27.63%0.03114%0.136CC..EExtended strand (participates in β ladder)trans-153.6160.6-175.5178.30000110.5L50 Q244 S245 L246 I247 T282 G291L50-T289 VanDerWaalsContact CD2-OG1 3.3Å; L50-T289 WeakPolarHBondContact CD2-OG1 3.38Å; Q244-T289 HydrophobicContact CG-CG2 4.47Å; S245-T289 PolarHBondContact O-N 3.48Å; S245-T289 VanDerWaalsContact O-N 3.08Å; L246-T289 CarbonylContact C-O 3.49Å; L246-T289 VanDerWaalsContact CA-O 3.25Å; L246-T289 WeakPolarHBondContact CA-O 3.47Å; L246-T289 HydrophobicContact CD2-CG2 3.47Å; L246-T289 VanDerWaalsContact CD2-CG2 3.47Å; I247-T289 PolarHBondContact N-O 2.85Å; T282-T289 HydrophobicContact CG2-CG2 4.46Å; T282-T289 WeakPolarHBondContact OG1-CG2 3.21Å; T289-G291 VanDerWaalsContact C-N 3.25Å; T289-G291 PolarHBondContact OG1-N 3.42Å
290T95.3Very high93.5Very high1 Ų129.2 Ų29.21%0.00615%0.145CC..  trans-81.2-7.2171.360.90000113.2I247 F249 Y275 Y292 H295 S296 F299I247-T290 WeakPolarHBondContact O-CA 3.31Å; I247-T290 VanDerWaalsContact O-CB 3.32Å; I247-T290 WeakPolarHBondContact O-CB 3.38Å; I247-T290 VanDerWaalsContact O-CG2 3.29Å; I247-T290 WeakPolarHBondContact O-CG2 3.34Å; F249-T290 HydrophobicContact CD2-CG2 4.38Å; F249-T290 HydrophobicContact CE2-CG2 4.17Å; Y275-T290 VanDerWaalsContact CE2-O 3.27Å; Y275-T290 WeakPolarHBondContact CE2-O 3.32Å; Y275-T290 PolarHBondContact OH-O 3Å; T290-Y292 PolarHBondContact O-N 3.46Å; T290-Y292 PolarHBondContact OG1-O 3.09Å; T290-H295 HydrophobicContact CG2-CB 4.14Å; T290-S296 WeakPolarHBondContact OG1-CA 3.41Å; T290-S296 PolarHBondContact OG1-N 2.87Å; T290-S296 PolarHBondContact OG1-OG 3.19Å; T290-F299 HydrophobicContact CG2-CB 3.59Å; T290-F299 HydrophobicContact CG2-CD1 4.44Å; T290-F299 HydrophobicContact CG2-CD2 4.29Å; T290-F299 HydrophobicContact CG2-CG 3.9Å
291G93.7Very high93.2Very high0 Ų036.1 Ų36.10%018%0.175CC..SBendtrans74-22.6-17700000114.6H278 A279 T289H278-G291 CarbonylContact C-O 3.54Å; H278-G291 VanDerWaalsContact CB-O 3.22Å; H278-G291 WeakPolarHBondContact CB-O 3.22Å; A279-G291 WeakPolarHBondContact CA-O 3.5Å; A279-G291 PolarHBondContact N-O 3.28Å; A279-G291 VanDerWaalsContact N-O 3.12Å; T289-G291 VanDerWaalsContact C-N 3.25Å; T289-G291 PolarHBondContact OG1-N 3.42Å
292Y95Very high93.1Very high18 Ų1835.2 Ų35.27%0.07117%0.169CC..SBendtrans-129.1139.6178.9-172-123.2000112.2W267 P270 V274 H278 T290 S294 H295 S296W267-Y292 WeakPolarHBondContact O-CE1 3.32Å; P270-Y292 HydrophobicContact CB-CD1 4.22Å; P270-Y292 HydrophobicContact CB-CE1 3.81Å; P270-Y292 HydrophobicContact CB-CE2 4.42Å; P270-Y292 HydrophobicContact CG-CD1 3.69Å; P270-Y292 HydrophobicContact CG-CE1 3.73Å; P270-Y292 HydrophobicContact CG-CG 4.21Å; V274-Y292 HydrophobicContact CG1-CE2 3.84Å; H278-Y292 HydrophobicContact CB-CD2 3.86Å; H278-Y292 AromaticContact CD2-CE2 3.97Å; H278-Y292 AromaticContact CE1-CE2 3.8Å; H278-Y292 AromaticContact CG-CD2 3.58Å; H278-Y292 AromaticContact CG-CE2 3.93Å; H278-Y292 AromaticContact ND1-CD2 3.62Å; H278-Y292 AromaticContact ND1-CE2 3.82Å; H278-Y292 AromaticContact NE2-CE2 3.88Å; T290-Y292 PolarHBondContact O-N 3.46Å; T290-Y292 PolarHBondContact OG1-O 3.09Å; Y292-S294 WeakPolarHBondContact CD1-OG 3.3Å; Y292-S294 WeakPolarHBondContact CE1-OG 3.41Å; Y292-S294 PolarHBondContact O-N 3.46Å; Y292-H295 AromaticContact CD1-CD2 3.78Å; Y292-H295 WeakPolarHBondContact O-CB 3.36Å; Y292-H295 PolarHBondContact O-N 3.04Å; Y292-S296 PolarHBondContact O-N 3.18Å; Y292-S296 PolarHBondContact O-OG 3.17Å
293W91.9Very high92.7Very high80 Ų8039 Ų3930%0.30319%0.187SC..Hα-helixtrans-63.9-42.1-168.769.1-85.7000113.3H51 W267 H278 H295 S296 I297H51-W293 HydrophobicContact CB-CB 3.92Å; W267-W293 HydrophobicContact CE3-CH2 4.02Å; W267-W293 HydrophobicContact CZ3-CH2 4.45Å; H278-W293 AromaticContact CE1-CD1 3.79Å; H278-W293 AromaticContact ND1-CD1 3.95Å; W293-H295 VanDerWaalsContact C-N 3.3Å; W293-H295 PolarHBondContact O-N 3.49Å; W293-S296 WeakPolarHBondContact O-CB 3.39Å; W293-S296 PolarHBondContact O-N 3.49Å; W293-S296 VanDerWaalsContact O-N 3.08Å; W293-I297 HydrophobicContact CE3-CD1 4.03Å; W293-I297 HydrophobicContact CZ3-CD1 3.86Å; W293-I297 PolarHBondContact O-N 2.86Å
294S92.5Very high92.3Very high0 Ų043.1 Ų43.10%020%0.203CC..Hα-helixtrans-70.3-32.1179.274.50000111.6W267 Y292 S296 I297 Q298W267-S294 WeakPolarHBondContact O-CB 3.5Å; W267-S294 PolarHBondContact O-OG 3.18Å; Y292-S294 WeakPolarHBondContact CD1-OG 3.3Å; Y292-S294 WeakPolarHBondContact CE1-OG 3.41Å; Y292-S294 PolarHBondContact O-N 3.46Å; S294-S296 PolarHBondContact O-N 3.07Å; S294-I297 WeakPolarHBondContact O-CB 3.31Å; S294-I297 PolarHBondContact O-N 2.97Å; S294-Q298 PolarHBondContact O-N 2.83Å; S294-Q298 VanDerWaalsContact O-N 3.16Å
295H94.7Very high92.2Very high0 Ų044.3 Ų44.30%020%0.201CC..Hα-helixtrans-65.5-31.6171.4-70.4-168.2000111F249 Y250 L268 P270 T290 Y292 W293 I297 Q298 F299F249-H295 VanDerWaalsContact C-CE1 3.49Å; F249-H295 HydrophobicContact CB-CB 4.41Å; F249-H295 HydrophobicContact CD2-CB 3.91Å; F249-H295 WeakPolarHBondContact CE2-O 3.45Å; F249-H295 PolarHBondContact N-CE1 3.14Å; F249-H295 PolarHBondContact N-ND1 3.18Å; F249-H295 PolarHBondContact O-CE1 2.87Å; Y250-H295 PolarHBondContact O-CE1 3.25Å; Y250-H295 VanDerWaalsContact O-CE1 3.22Å; Y250-H295 PolarHBondContact O-NE2 3.37Å; Y250-H295 VanDerWaalsContact O-NE2 3.09Å; L268-H295 PolarHBondContact O-CD2 3.27Å; L268-H295 PolarHBondContact O-NE2 3.13Å; P270-H295 WeakPolarHBondContact CD-NE2 3.44Å; T290-H295 HydrophobicContact CG2-CB 4.14Å; Y292-H295 AromaticContact CD1-CD2 3.78Å; Y292-H295 WeakPolarHBondContact O-CB 3.36Å; Y292-H295 PolarHBondContact O-N 3.04Å; W293-H295 VanDerWaalsContact C-N 3.3Å; W293-H295 PolarHBondContact O-N 3.49Å; H295-I297 VanDerWaalsContact C-N 3.32Å; H295-I297 PolarHBondContact O-N 3.43Å; H295-Q298 PolarHBondContact CD2-NE2 3.3Å; H295-Q298 VanDerWaalsContact CD2-NE2 3.35Å; H295-Q298 CarbonylContact O-C 3.6Å; H295-Q298 WeakPolarHBondContact O-CB 3.31Å; H295-Q298 PolarHBondContact O-N 3.48Å; H295-F299 WeakPolarHBondContact O-CB 3.23Å; H295-F299 PolarHBondContact O-N 2.95Å
296S92.6Very high92.3Very high4 Ų443.4 Ų43.43%0.02820%0.201CC..Hα-helixtrans-69.7-31.9176.4-52.90000112.3H51 T290 Y292 W293 S294 F299 L300H51-S296 PolarHBondContact NE2-OG 3.35Å; T290-S296 WeakPolarHBondContact OG1-CA 3.41Å; T290-S296 PolarHBondContact OG1-N 2.87Å; T290-S296 PolarHBondContact OG1-OG 3.19Å; Y292-S296 PolarHBondContact O-N 3.18Å; Y292-S296 PolarHBondContact O-OG 3.17Å; W293-S296 WeakPolarHBondContact O-CB 3.39Å; W293-S296 PolarHBondContact O-N 3.49Å; W293-S296 VanDerWaalsContact O-N 3.08Å; S294-S296 PolarHBondContact O-N 3.07Å; S296-F299 WeakPolarHBondContact O-CB 2.91Å; S296-F299 PolarHBondContact O-N 2.82Å; S296-L300 WeakPolarHBondContact O-CG 3.31Å; S296-L300 PolarHBondContact O-N 3.31Å
297I90.6Very high92.3Very high58 Ų5847.5 Ų47.530%0.29722%0.217SC..Hα-helixtrans-63.1-48.3169.7-61.9171.7000109.7L47 W293 S294 H295 F299 L300 F301L47-I297 HydrophobicContact CD1-CG1 4.35Å; W293-I297 HydrophobicContact CE3-CD1 4.03Å; W293-I297 HydrophobicContact CZ3-CD1 3.86Å; W293-I297 PolarHBondContact O-N 2.86Å; S294-I297 WeakPolarHBondContact O-CB 3.31Å; S294-I297 PolarHBondContact O-N 2.97Å; H295-I297 VanDerWaalsContact C-N 3.32Å; H295-I297 PolarHBondContact O-N 3.43Å; I297-F299 PolarHBondContact O-N 3.43Å; I297-L300 PolarHBondContact O-N 2.88Å; I297-F301 HydrophobicContact CG2-CD2 3.84Å; I297-F301 HydrophobicContact CG2-CE2 3.53Å; I297-F301 WeakPolarHBondContact O-CD2 3.36Å; I297-F301 PolarHBondContact O-N 3.16Å; I297-F301 VanDerWaalsContact O-N 3.1Å
298Q92.1Very high92.3Very high45 Ų4551.3 Ų51.321%0.2123%0.228CC..Hα-helixtrans-57.9-38.1175-67.2174.567.800111.9F249 L268 S294 H295 F301 A302F249-Q298 HydrophobicContact CD1-CB 3.99Å; F249-Q298 HydrophobicContact CD2-CB 4.05Å; F249-Q298 HydrophobicContact CE1-CB 3.9Å; F249-Q298 HydrophobicContact CE2-CB 3.97Å; F249-Q298 HydrophobicContact CG-CB 4.06Å; F249-Q298 HydrophobicContact CZ-CB 3.89Å; L268-Q298 HydrophobicContact CD2-CG 4.2Å; S294-Q298 PolarHBondContact O-N 2.83Å; S294-Q298 VanDerWaalsContact O-N 3.16Å; H295-Q298 PolarHBondContact CD2-NE2 3.3Å; H295-Q298 VanDerWaalsContact CD2-NE2 3.35Å; H295-Q298 CarbonylContact O-C 3.6Å; H295-Q298 WeakPolarHBondContact O-CB 3.31Å; H295-Q298 PolarHBondContact O-N 3.48Å; Q298-F301 PolarHBondContact O-N 3.06Å; Q298-A302 VanDerWaalsContact O-CB 3.31Å; Q298-A302 WeakPolarHBondContact O-CB 3.29Å; Q298-A302 PolarHBondContact O-N 3.21Å
299F92Very high92.3Very high22 Ų2250.3 Ų50.310%0.09623%0.229CC..Hα-helixtrans-65.3-42.1177.2-170.9-118.9000112.7C209 I247 F249 T290 H295 S296 I297 A302 Q303C209-F299 WeakPolarHBondContact SG-CE2 3.4Å; I247-F299 HydrophobicContact CD1-CE2 3.76Å; I247-F299 HydrophobicContact CD1-CZ 3.84Å; I247-F299 HydrophobicContact CG2-CD2 4.36Å; I247-F299 HydrophobicContact CG2-CE2 4.19Å; F249-F299 HydrophobicContact CE2-CB 3.89Å; F249-F299 HydrophobicContact CE2-CD2 4.29Å; F249-F299 HydrophobicContact CZ-CB 4.35Å; T290-F299 HydrophobicContact CG2-CB 3.59Å; T290-F299 HydrophobicContact CG2-CD1 4.44Å; T290-F299 HydrophobicContact CG2-CD2 4.29Å; T290-F299 HydrophobicContact CG2-CG 3.9Å; H295-F299 WeakPolarHBondContact O-CB 3.23Å; H295-F299 PolarHBondContact O-N 2.95Å; S296-F299 WeakPolarHBondContact O-CB 2.91Å; S296-F299 PolarHBondContact O-N 2.82Å; I297-F299 PolarHBondContact O-N 3.43Å; F299-A302 WeakPolarHBondContact O-CB 3.44Å; F299-A302 PolarHBondContact O-N 2.76Å; F299-Q303 HydrophobicContact CE1-CG 4.45Å; F299-Q303 HydrophobicContact CZ-CG 4.49Å; F299-Q303 VanDerWaalsContact CZ-NE2 3.29Å; F299-Q303 WeakPolarHBondContact O-CG 3.29Å; F299-Q303 PolarHBondContact O-N 3.45Å
300L89.8Confident92.2Very high34 Ų3451.5 Ų51.518%0.17823%0.233CC..Hα-helixtrans-60.6-48.4174-69.9-179.2000110.8D43 L47 S296 I297 A302 Q303 Y304D43-L300 HydrophobicContact CB-CD1 4.39Å; D43-L300 HydrophobicContact CB-CD2 3.75Å; L47-L300 HydrophobicContact CD1-CD1 3.5Å; L47-L300 VanDerWaalsContact CD1-CD1 3.5Å; L47-L300 HydrophobicContact CD1-CG 4.38Å; L47-L300 HydrophobicContact CG-CD1 4.14Å; S296-L300 WeakPolarHBondContact O-CG 3.31Å; S296-L300 PolarHBondContact O-N 3.31Å; I297-L300 PolarHBondContact O-N 2.88Å; L300-A302 VanDerWaalsContact C-N 3.28Å; L300-A302 PolarHBondContact O-N 2.8Å; L300-Q303 PolarHBondContact O-N 3.5Å; L300-Q303 VanDerWaalsContact O-N 3.09Å; L300-Y304 WeakPolarHBondContact O-CD2 3.32Å; L300-Y304 PolarHBondContact O-N 3.16Å; L300-Y304 VanDerWaalsContact O-N 3.14Å
301F89.3Confident92.2Very high146 Ų14653.4 Ų53.464%0.6424%0.244SC*.Hα-helixtrans-56.7-45.5174.3-77.1-67.9000111.5I297 Q298 Q303 Y304 M305I297-F301 HydrophobicContact CG2-CD2 3.84Å; I297-F301 HydrophobicContact CG2-CE2 3.53Å; I297-F301 WeakPolarHBondContact O-CD2 3.36Å; I297-F301 PolarHBondContact O-N 3.16Å; I297-F301 VanDerWaalsContact O-N 3.1Å; Q298-F301 PolarHBondContact O-N 3.06Å; F301-Q303 VanDerWaalsContact C-N 3.27Å; F301-Q303 PolarHBondContact O-N 3.31Å; F301-Y304 PolarHBondContact O-N 3.45Å; F301-M305 WeakPolarHBondContact O-CB 3.37Å; F301-M305 PolarHBondContact O-N 3.22Å
302A89.8Confident92.2Very high2 Ų260.9 Ų60.92%0.01727%0.272CS..Hα-helixtrans-60-35.5177.500000112.4C209 K210 F249 Q298 F299 L300 W310C209-A302 HydrophobicContact CB-CB 4.42Å; K210-A302 PolarHBondContact NZ-O 3.23Å; F249-A302 HydrophobicContact CZ-CB 4.17Å; Q298-A302 VanDerWaalsContact O-CB 3.31Å; Q298-A302 WeakPolarHBondContact O-CB 3.29Å; Q298-A302 PolarHBondContact O-N 3.21Å; F299-A302 WeakPolarHBondContact O-CB 3.44Å; F299-A302 PolarHBondContact O-N 2.76Å; L300-A302 VanDerWaalsContact C-N 3.28Å; L300-A302 PolarHBondContact O-N 2.8Å; A302-W310 HydrophobicContact CB-CE3 4.16Å; A302-W310 HydrophobicContact CB-CZ3 3.58Å
303Q87.7Confident92.1Very high80 Ų8061.4 Ų61.437%0.37428%0.283SS..Hα-helixtrans-70-46.4178.7-75.6-176.9-9.400112.7K210 F299 L300 F301K210-Q303 PolarHBondContact NZ-O 3.44Å; F299-Q303 HydrophobicContact CE1-CG 4.45Å; F299-Q303 HydrophobicContact CZ-CG 4.49Å; F299-Q303 VanDerWaalsContact CZ-NE2 3.29Å; F299-Q303 WeakPolarHBondContact O-CG 3.29Å; F299-Q303 PolarHBondContact O-N 3.45Å; L300-Q303 PolarHBondContact O-N 3.5Å; L300-Q303 VanDerWaalsContact O-N 3.09Å; F301-Q303 VanDerWaalsContact C-N 3.27Å; F301-Q303 PolarHBondContact O-N 3.31Å
304Y87.3Confident92.2Very high93 Ų9358.2 Ų58.237%0.36527%0.274SS..Hα-helixtrans-82.2-19.6-176.9-67.9-73.6000113.7T39 V40 D43 L300 F301T39-Y304 WeakPolarHBondContact CG2-OH 3.47Å; V40-Y304 HydrophobicContact CG2-CE2 4.45Å; D43-Y304 PolarHBondContact OD2-OH 2.96Å; L300-Y304 WeakPolarHBondContact O-CD2 3.32Å; L300-Y304 PolarHBondContact O-N 3.16Å; L300-Y304 VanDerWaalsContact O-N 3.14Å; F301-Y304 PolarHBondContact O-N 3.45Å
305M90.4Very high92.2Very high53 Ų5360 Ų6026%0.26128%0.284SS..SBendtrans-64.9131.3178.7179.2156.162.700111.4K210 F301 L309 W310K210-M305 WeakPolarHBondContact CE-O 3.3Å; K210-M305 PolarHBondContact NZ-O 3.18Å; F301-M305 WeakPolarHBondContact O-CB 3.37Å; F301-M305 PolarHBondContact O-N 3.22Å; M305-L309 HydrophobicContact CG-CB 3.92Å; M305-L309 HydrophobicContact CG-CD2 3.97Å; M305-L309 HydrophobicContact CG-CG 4.04Å; M305-L309 HydrophobicContact SD-CB 4.16Å; M305-L309 HydrophobicContact SD-CD2 3.88Å; M305-L309 HydrophobicContact SD-CG 3.72Å; M305-W310 HydrophobicContact CE-CB 3.8Å; M305-W310 HydrophobicContact CE-CD2 4.07Å; M305-W310 HydrophobicContact CE-CE3 3.35Å; M305-W310 HydrophobicContact CE-CG 4.3Å; M305-W310 HydrophobicContact CE-CZ3 4.21Å; M305-W310 HydrophobicContact CG-CB 4.47Å
306P93.6Very high92.1Very high63 Ų6364.2 Ų64.241%0.40931%0.305SS..  trans-58.2147.6170.4-2534.8000112.2W308 L309 W310P306-W308 HydrophobicContact CB-CG 4.45Å; P306-W308 PolarHBondContact O-N 2.92Å; P306-L309 PolarHBondContact O-N 3.18Å; P306-W310 PolarHBondContact O-N 3.48Å; P306-W310 VanDerWaalsContact O-N 3.13Å
307E94.2Very high92Very high111 Ų11167 Ų6752%0.51932%0.319SS..Hα-helixtrans-60.9-41.5-176.5-173.8171.3107.700113.1L309 W310 V311E307-L309 PolarHBondContact O-N 3.33Å; E307-W310 WeakPolarHBondContact O-CB 3.17Å; E307-W310 PolarHBondContact O-N 3.19Å; E307-V311 HydrophobicContact CG-CG2 4.13Å; E307-V311 WeakPolarHBondContact O-CB 3.49Å; E307-V311 VanDerWaalsContact O-CG2 3.31Å; E307-V311 WeakPolarHBondContact O-CG2 3.44Å; E307-V311 PolarHBondContact O-N 3.48Å
308W94.8Very high92.1Very high183 Ų18364.3 Ų64.369%0.69331%0.306SS*.Hα-helixtrans-58.9-36.6178.668.7-97.7000112.4P306 W312P306-W308 HydrophobicContact CB-CG 4.45Å; P306-W308 PolarHBondContact O-N 2.92Å; W308-W312 VanDerWaalsContact O-CB 3.3Å; W308-W312 WeakPolarHBondContact O-CB 3.3Å; W308-W312 PolarHBondContact O-N 2.94Å
309L94.9Very high92.1Very high58 Ų5868.7 Ų68.730%0.30432%0.32SS..Hα-helixtrans-73.9-40.1179.6-175.761000111.1M305 P306 E307 W312 G313M305-L309 HydrophobicContact CG-CB 3.92Å; M305-L309 HydrophobicContact CG-CD2 3.97Å; M305-L309 HydrophobicContact CG-CG 4.04Å; M305-L309 HydrophobicContact SD-CB 4.16Å; M305-L309 HydrophobicContact SD-CD2 3.88Å; M305-L309 HydrophobicContact SD-CG 3.72Å; P306-L309 PolarHBondContact O-N 3.18Å; E307-L309 PolarHBondContact O-N 3.33Å; L309-W312 HydrophobicContact CD1-CE3 3.9Å; L309-W312 HydrophobicContact CD1-CZ3 4.35Å; L309-W312 PolarHBondContact O-N 3.14Å; L309-G313 PolarHBondContact O-N 3.29Å
310W94Very high92Very high31 Ų3171 Ų7112%0.11734%0.34CS..Hα-helixtrans-56.9-51.2170.5175-84.1000111.2K210 P211 T212 A302 M305 P306 E307 W312 G313 A314K210-W310 HydrophobicContact CB-CB 4.43Å; K210-W310 VanDerWaalsContact CB-CD1 3.47Å; K210-W310 HydrophobicContact CB-CD2 3.74Å; K210-W310 HydrophobicContact CB-CE3 4.46Å; K210-W310 HydrophobicContact CB-CG 3.64Å; K210-W310 HydrophobicContact CB-CZ2 4.48Å; K210-W310 HydrophobicContact CD-CB 3.54Å; K210-W310 HydrophobicContact CD-CD2 3.93Å; K210-W310 HydrophobicContact CD-CE3 4.21Å; K210-W310 HydrophobicContact CD-CG 3.59Å; K210-W310 HydrophobicContact CG-CD2 4.32Å; K210-W310 HydrophobicContact CG-CG 4.23Å; P211-W310 PolarHBondContact O-NE1 3.43Å; T212-W310 PolarHBondContact OG1-NE1 2.85Å; A302-W310 HydrophobicContact CB-CE3 4.16Å; A302-W310 HydrophobicContact CB-CZ3 3.58Å; M305-W310 HydrophobicContact CE-CB 3.8Å; M305-W310 HydrophobicContact CE-CD2 4.07Å; M305-W310 HydrophobicContact CE-CE3 3.35Å; M305-W310 HydrophobicContact CE-CG 4.3Å; M305-W310 HydrophobicContact CE-CZ3 4.21Å; M305-W310 HydrophobicContact CG-CB 4.47Å; P306-W310 PolarHBondContact O-N 3.48Å; P306-W310 VanDerWaalsContact O-N 3.13Å; E307-W310 WeakPolarHBondContact O-CB 3.17Å; E307-W310 PolarHBondContact O-N 3.19Å; W310-W312 VanDerWaalsContact C-N 3.33Å; W310-W312 PolarHBondContact O-N 2.98Å; W310-G313 PolarHBondContact O-N 3Å; W310-A314 VanDerWaalsContact O-CB 3.23Å; W310-A314 WeakPolarHBondContact O-CB 3.35Å; W310-A314 PolarHBondContact O-N 3.12Å
311V94.8Very high92Very high41 Ų4170.5 Ų70.525%0.24834%0.337CS..Hα-helixtrans-62-41.2-178.8166.40000111.1P213 E307 N315P213-V311 HydrophobicContact CG-CG1 3.79Å; E307-V311 HydrophobicContact CG-CG2 4.13Å; E307-V311 WeakPolarHBondContact O-CB 3.49Å; E307-V311 VanDerWaalsContact O-CG2 3.31Å; E307-V311 WeakPolarHBondContact O-CG2 3.44Å; E307-V311 PolarHBondContact O-N 3.48Å; V311-N315 WeakPolarHBondContact O-CB 3.36Å; V311-N315 PolarHBondContact O-N 3.46Å; V311-N315 PolarHBondContact O-ND2 3.07Å
312W94.8Very high92Very high156 Ų15665.2 Ų65.259%0.59131%0.312SS*.Hα-helixtrans-61.7-50.9175175.883.4000111.9W308 L309 W310 N315 I316W308-W312 VanDerWaalsContact O-CB 3.3Å; W308-W312 WeakPolarHBondContact O-CB 3.3Å; W308-W312 PolarHBondContact O-N 2.94Å; L309-W312 HydrophobicContact CD1-CE3 3.9Å; L309-W312 HydrophobicContact CD1-CZ3 4.35Å; L309-W312 PolarHBondContact O-N 3.14Å; W310-W312 VanDerWaalsContact C-N 3.33Å; W310-W312 PolarHBondContact O-N 2.98Å; W312-N315 WeakPolarHBondContact O-CB 3.13Å; W312-N315 PolarHBondContact O-N 2.81Å; W312-I316 HydrophobicContact CD2-CD1 3.8Å; W312-I316 HydrophobicContact CE3-CD1 4.1Å; W312-I316 HydrophobicContact CH2-CD1 3.66Å; W312-I316 HydrophobicContact CZ2-CD1 3.31Å; W312-I316 HydrophobicContact CZ3-CD1 4.04Å; W312-I316 PolarHBondContact O-N 3.07Å; W312-I316 VanDerWaalsContact O-N 3.14Å
313G93.1Very high92Very high29 Ų2972.6 Ų72.630%0.29934%0.344SS..Hα-helixtrans-63.6-43.3178.900000112.9L309 W310 N315 I316 L317L309-G313 PolarHBondContact O-N 3.29Å; W310-G313 PolarHBondContact O-N 3Å; G313-N315 VanDerWaalsContact C-N 3.33Å; G313-N315 PolarHBondContact O-N 3.41Å; G313-I316 PolarHBondContact O-N 2.9Å; G313-L317 PolarHBondContact O-N 3.09Å
314A92.4Very high92Very high13 Ų1370.6 Ų70.611%0.10734%0.335CS..Hα-helixtrans-60.6-40.9175.600000111.9T212 W310 L317 N318T212-A314 HydrophobicContact CG2-CB 4.19Å; W310-A314 VanDerWaalsContact O-CB 3.23Å; W310-A314 WeakPolarHBondContact O-CB 3.35Å; W310-A314 PolarHBondContact O-N 3.12Å; A314-L317 PolarHBondContact O-N 2.68Å; A314-N318 WeakPolarHBondContact O-CB 3.25Å; A314-N318 PolarHBondContact O-N 3.21Å; A314-N318 PolarHBondContact O-ND2 2.98Å
315N93.3Very high91.9Very high39 Ų3966.8 Ų66.821%0.20932%0.322CS..Hα-helixtrans-62.3-41.8175.2-87-51.5000112.4P213 V311 W312 G313 R319P213-N315 VanDerWaalsContact CB-OD1 3.3Å; P213-N315 WeakPolarHBondContact CB-OD1 3.47Å; V311-N315 WeakPolarHBondContact O-CB 3.36Å; V311-N315 PolarHBondContact O-N 3.46Å; V311-N315 PolarHBondContact O-ND2 3.07Å; W312-N315 WeakPolarHBondContact O-CB 3.13Å; W312-N315 PolarHBondContact O-N 2.81Å; G313-N315 VanDerWaalsContact C-N 3.33Å; G313-N315 PolarHBondContact O-N 3.41Å; N315-R319 VanDerWaalsContact O-CB 3.25Å; N315-R319 WeakPolarHBondContact O-CB 3.18Å; N315-R319 WeakPolarHBondContact O-CD 3.5Å; N315-R319 WeakPolarHBondContact O-CG 3.3Å; N315-R319 PolarHBondContact O-N 3.41Å
316I93.1Very high91.7Very high87 Ų8767.8 Ų67.845%0.44633%0.328SS..Hα-helixtrans-63.6-51.2177.8-68.7170.8000110.1W312 G313 R319 S320W312-I316 HydrophobicContact CD2-CD1 3.8Å; W312-I316 HydrophobicContact CE3-CD1 4.1Å; W312-I316 HydrophobicContact CH2-CD1 3.66Å; W312-I316 HydrophobicContact CZ2-CD1 3.31Å; W312-I316 HydrophobicContact CZ3-CD1 4.04Å; W312-I316 PolarHBondContact O-N 3.07Å; W312-I316 VanDerWaalsContact O-N 3.14Å; G313-I316 PolarHBondContact O-N 2.9Å; I316-R319 PolarHBondContact O-N 2.97Å; I316-S320 PolarHBondContact O-N 3.04Å
317L91Very high91.3Very high62 Ų6268.4 Ų68.433%0.32533%0.334SS..Hα-helixtrans-60.4-49.7-180179.460.7000111.5Y250 G313 A314 R319 S320 L321Y250-L317 HydrophobicContact CE2-CD2 3.93Å; Y250-L317 WeakPolarHBondContact OH-CD2 3.38Å; G313-L317 PolarHBondContact O-N 3.09Å; A314-L317 PolarHBondContact O-N 2.68Å; L317-R319 VanDerWaalsContact C-N 3.34Å; L317-R319 PolarHBondContact O-N 2.56Å; L317-S320 WeakPolarHBondContact O-CA 3.34Å; L317-S320 WeakPolarHBondContact O-CB 3.4Å; L317-S320 PolarHBondContact O-N 2.9Å; L317-L321 HydrophobicContact CD1-CD1 4.23Å; L317-L321 HydrophobicContact CD1-CG 4.24Å; L317-L321 HydrophobicContact CG-CD1 4.02Å; L317-L321 HydrophobicContact CG-CG 4.43Å; L317-L321 WeakPolarHBondContact O-CG 3.28Å; L317-L321 PolarHBondContact O-N 3.39Å
318N92.7Very high90.2Very high2 Ų267.7 Ų67.71%0.01134%0.341CS..Hα-helixtrans-66.9-34.2-177.3-72-14.2000112.4P159 P213 Q214 A314 S320 R322P159-N318 HydrophobicContact CB-CB 3.64Å; P159-N318 HydrophobicContact CG-CB 4.08Å; P213-N318 PolarHBondContact O-ND2 3.49Å; Q214-N318 HydrophobicContact CB-CB 4.41Å; A314-N318 WeakPolarHBondContact O-CB 3.25Å; A314-N318 PolarHBondContact O-N 3.21Å; A314-N318 PolarHBondContact O-ND2 2.98Å; N318-S320 VanDerWaalsContact C-N 3.35Å; N318-R322 VanDerWaalsContact O-CB 3.28Å; N318-R322 WeakPolarHBondContact O-CB 3.15Å; N318-R322 PolarHBondContact O-N 3.15Å
319R91.2Very high88.8Confident138 Ų13864.4 Ų64.452%0.52134%0.341SS..Hα-helixtrans-63.2-40.5170.1-76.7172.8-177.9-169.80.2111.8N315 I316 L317 K323N315-R319 VanDerWaalsContact O-CB 3.25Å; N315-R319 WeakPolarHBondContact O-CB 3.18Å; N315-R319 WeakPolarHBondContact O-CD 3.5Å; N315-R319 WeakPolarHBondContact O-CG 3.3Å; N315-R319 PolarHBondContact O-N 3.41Å; I316-R319 PolarHBondContact O-N 2.97Å; L317-R319 VanDerWaalsContact C-N 3.34Å; L317-R319 PolarHBondContact O-N 2.56Å; R319-K323 WeakPolarHBondContact O-CG 3.43Å; R319-K323 PolarHBondContact O-N 3Å
320S89.8Confident86.8Confident71 Ų7168.2 Ų68.250%0.49738%0.381SS..Hα-helixtrans-63.8-50.1176.2-166.20000111.4I316 L317 N318 R322 K323 E324I316-S320 PolarHBondContact O-N 3.04Å; L317-S320 WeakPolarHBondContact O-CA 3.34Å; L317-S320 WeakPolarHBondContact O-CB 3.4Å; L317-S320 PolarHBondContact O-N 2.9Å; N318-S320 VanDerWaalsContact C-N 3.35Å; S320-R322 VanDerWaalsContact C-N 3.32Å; S320-R322 PolarHBondContact O-N 2.98Å; S320-K323 PolarHBondContact O-N 3.41Å; S320-E324 PolarHBondContact O-N 2.99Å
321L89.1Confident86.4Confident22 Ų2270.1 Ų70.112%0.11539%0.394CS..Hα-helixtrans-61.2-39.5178.8-68.1173.9000112.1P159 S259 L262 L317 E324 A325P159-L321 HydrophobicContact CG-CB 3.98Å; P159-L321 HydrophobicContact CG-CD1 4.33Å; S259-L321 VanDerWaalsContact OG-CD2 3.31Å; S259-L321 WeakPolarHBondContact OG-CD2 3.4Å; L262-L321 HydrophobicContact CD1-CD1 4.21Å; L262-L321 HydrophobicContact CD1-CD2 3.78Å; L262-L321 HydrophobicContact CG-CD2 4.47Å; L317-L321 HydrophobicContact CD1-CD1 4.23Å; L317-L321 HydrophobicContact CD1-CG 4.24Å; L317-L321 HydrophobicContact CG-CD1 4.02Å; L317-L321 HydrophobicContact CG-CG 4.43Å; L317-L321 WeakPolarHBondContact O-CG 3.28Å; L317-L321 PolarHBondContact O-N 3.39Å; L321-E324 PolarHBondContact O-N 3.27Å; L321-A325 WeakPolarHBondContact O-CB 3.4Å; L321-A325 PolarHBondContact O-N 3.15Å
322R89.8Confident85.9Confident35 Ų3571.6 Ų71.613%0.13240%0.402CS..Hα-helixtrans-61.4-47.4174.1-177.2-171.8-57.6-170.7-2.1111.7Y158 P159 Q160 Y161 Q214 N318 S320 E324 A325 L326Y158-R322 HydrophobicContact CD2-CG 3.95Å; Y158-R322 HydrophobicContact CE2-CG 4.29Å; P159-R322 VanDerWaalsContact O-CZ 3.28Å; P159-R322 PolarHBondContact O-NE 2.99Å; P159-R322 PolarHBondContact O-NH2 3.3Å; P159-R322 VanDerWaalsContact O-NH2 3.12Å; Q160-R322 VanDerWaalsContact C-NH2 3.34Å; Y161-R322 VanDerWaalsContact CD2-NH1 3.3Å; Q214-R322 VanDerWaalsContact CG-NH2 3.27Å; N318-R322 VanDerWaalsContact O-CB 3.28Å; N318-R322 WeakPolarHBondContact O-CB 3.15Å; N318-R322 PolarHBondContact O-N 3.15Å; S320-R322 VanDerWaalsContact C-N 3.32Å; S320-R322 PolarHBondContact O-N 2.98Å; R322-E324 VanDerWaalsContact C-N 3.33Å; R322-E324 PolarHBondContact O-N 3.04Å; R322-A325 PolarHBondContact O-N 3.07Å; R322-L326 HydrophobicContact CG-CD1 3.9Å; R322-L326 HydrophobicContact CG-CG 4.41Å; R322-L326 WeakPolarHBondContact O-CB 3.36Å; R322-L326 VanDerWaalsContact O-CG 3.29Å; R322-L326 WeakPolarHBondContact O-CG 3.46Å; R322-L326 PolarHBondContact O-N 3.18Å
323K89.6Confident85.5Confident158 Ų15866.9 Ų66.969%0.68739%0.391SS*.Hα-helixtrans-60.4-44.8179.2-76.8178.8177.9-172.50111.3R319 S320 L326 S327R319-K323 WeakPolarHBondContact O-CG 3.43Å; R319-K323 PolarHBondContact O-N 3Å; S320-K323 PolarHBondContact O-N 3.41Å; K323-L326 PolarHBondContact O-N 3.36Å; K323-S327 WeakPolarHBondContact O-CB 3.29Å; K323-S327 PolarHBondContact O-N 3.45Å; K323-S327 PolarHBondContact O-OG 3.49Å
324E87.3Confident85Confident38 Ų3869.2 Ų69.218%0.17840%0.397CS..Hα-helixtrans-60.1-50.7177.5-172.6173.6-157.100111.1S259 S260 S320 L321 R322 L326 S327 C328S259-E324 WeakPolarHBondContact CA-OE2 3.39Å; S259-E324 WeakPolarHBondContact CB-OE2 3.4Å; S259-E324 PolarHBondContact OG-OE2 2.98Å; S260-E324 WeakPolarHBondContact CB-OE1 3.47Å; S260-E324 PolarHBondContact N-OE1 3.47Å; S260-E324 PolarHBondContact OG-OE1 3.45Å; S320-E324 PolarHBondContact O-N 2.99Å; L321-E324 PolarHBondContact O-N 3.27Å; R322-E324 VanDerWaalsContact C-N 3.33Å; R322-E324 PolarHBondContact O-N 3.04Å; E324-L326 PolarHBondContact O-N 3.45Å; E324-S327 PolarHBondContact O-N 3.48Å; E324-S327 VanDerWaalsContact O-N 3.12Å; E324-S327 PolarHBondContact O-OG 3.33Å; E324-C328 PolarHBondContact O-N 3.37Å; E324-C328 VanDerWaalsContact O-N 3.15Å; E324-C328 PolarHBondContact O-SG 3.15Å
325A85.8Confident84.5Confident12 Ų1272.7 Ų72.710%0.09942%0.415CS..Hα-helixtrans-59.3-43.6179.100000112.8Y158 L321 R322 S327 C328 T329Y158-A325 HydrophobicContact CD1-CB 4.07Å; Y158-A325 HydrophobicContact CG-CB 4Å; L321-A325 WeakPolarHBondContact O-CB 3.4Å; L321-A325 PolarHBondContact O-N 3.15Å; R322-A325 PolarHBondContact O-N 3.07Å; A325-S327 VanDerWaalsContact C-N 3.31Å; A325-S327 PolarHBondContact O-N 2.67Å; A325-C328 PolarHBondContact O-N 2.91Å; A325-T329 PolarHBondContact O-N 3.12Å; A325-T329 PolarHBondContact O-OG1 3.01Å
326L86.6Confident84Confident74 Ų7474.9 Ų74.939%0.38743%0.428SS..Hα-helixtrans-67-31.6178-69.9173.8000112.6Y158 R322 K323 E324 T329 A330Y158-L326 HydrophobicContact CE1-CD2 4.07Å; Y158-L326 HydrophobicContact CE2-CD2 4.25Å; R322-L326 HydrophobicContact CG-CD1 3.9Å; R322-L326 HydrophobicContact CG-CG 4.41Å; R322-L326 WeakPolarHBondContact O-CB 3.36Å; R322-L326 VanDerWaalsContact O-CG 3.29Å; R322-L326 WeakPolarHBondContact O-CG 3.46Å; R322-L326 PolarHBondContact O-N 3.18Å; K323-L326 PolarHBondContact O-N 3.36Å; E324-L326 PolarHBondContact O-N 3.45Å; L326-T329 WeakPolarHBondContact CA-OG1 3.43Å; L326-T329 PolarHBondContact O-N 3.45Å; L326-T329 PolarHBondContact O-OG1 3.42Å; L326-A330 PolarHBondContact O-N 3.34Å
327S84.8Confident83.3Confident77 Ų7774.1 Ų74.154%0.53843%0.427SS..Hα-helixtrans-73.4-25.7176.967.70000113.7K323 E324 A325 T329K323-S327 WeakPolarHBondContact O-CB 3.29Å; K323-S327 PolarHBondContact O-N 3.45Å; K323-S327 PolarHBondContact O-OG 3.49Å; E324-S327 PolarHBondContact O-N 3.48Å; E324-S327 VanDerWaalsContact O-N 3.12Å; E324-S327 PolarHBondContact O-OG 3.33Å; A325-S327 VanDerWaalsContact C-N 3.31Å; A325-S327 PolarHBondContact O-N 2.67Å; S327-T329 VanDerWaalsContact C-N 3.34Å
328C72.2Confident82.7Confident96 Ų9675 Ų7565%0.64944%0.435SS*.Hα-helixtrans-81.1-15.3175.1-65.30000113.2E324 A325E324-C328 PolarHBondContact O-N 3.37Å; E324-C328 VanDerWaalsContact O-N 3.15Å; E324-C328 PolarHBondContact O-SG 3.15Å; A325-C328 PolarHBondContact O-N 2.91Å
329T64.1Low81.9Confident113 Ų11381.1 Ų81.169%0.69347%0.47SS*.  trans-98.7-7.5178.951.40000114.1A325 L326 S327A325-T329 PolarHBondContact O-N 3.12Å; A325-T329 PolarHBondContact O-OG1 3.01Å; L326-T329 WeakPolarHBondContact CA-OG1 3.43Å; L326-T329 PolarHBondContact O-N 3.45Å; L326-T329 PolarHBondContact O-OG1 3.42Å; S327-T329 VanDerWaalsContact C-N 3.34Å
330A52.5Low81Confident139 Ų13975.9 Ų75.9100%1.14947%0.466SS*.  trans-96.50177.600000110.4L326L326-A330 PolarHBondContact O-N 3.34Å

Retrieved 330 of 330 residues in 70 ms (Link to these results)

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