A0A067Y1U2_ORYSJ Loading...

Endoglucanase

AlphaFold DB (Q69SG5), UniProt , Accession A0A067Y1U2, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 528 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
1M35.7Very low50.2Low256 Ų256136.3 Ų136.3100%1.26178%0.782SS**  0130.50-76.6160.1111.800108.1
2G39.5Very low52.3Low80 Ų80134.3 Ų134.383%0.82577%0.766SS**  trans151.380.9177.400000113.1
3S45.4Very low54.2Low98 Ų98132.4 Ų132.469%0.68575%0.75SS**  trans-48134.8-177.6174.90000115.5T5S3-T5 PolarHBondContact O-N 3.39Å
4K43.9Very low56.1Low209 Ų209129.6 Ų129.691%0.90974%0.737SS**  trans-74.5101.7160.5-74179.6176.6178.70109.3
5T47.6Very low57.7Low120 Ų120124.9 Ų124.974%0.73672%0.721SS**  trans-135.776.8161.8430000110.1S3S3-T5 PolarHBondContact O-N 3.39Å
6K47.4Very low59.4Low219 Ų219124.1 Ų124.195%0.95271%0.712SS**  trans-140.193.4160.2-76.4-170.3178.4-179.70107.5
7G52.9Low60.9Low57 Ų57121.6 Ų121.659%0.58870%0.699SS**SBendtrans-175.1-2017900000115.3
8C54.7Low62.2Low106 Ų106118.1 Ų118.172%0.71669%0.687SS**Hα-helixtrans-78.5-24.5-176.1-124.90000114.5
9C57.5Low63.5Low99 Ų99115.5 Ų115.567%0.66968%0.676SS**Hα-helixtrans-74.4-28.4-176.7-75.70000114.3I13C9-I13 PolarHBondContact O-N 3.23Å
10G60.2Low64.6Low45 Ų45115.8 Ų115.846%0.46467%0.674SS.*Hα-helixtrans-68-41-178.100000113L12 I13 V14G10-L12 PolarHBondContact O-N 3.39Å; G10-I13 PolarHBondContact O-N 3.43Å; G10-V14 WeakPolarHBondContact O-CG2 3.38Å; G10-V14 PolarHBondContact O-N 2.98Å
11W67.6Low65.8Low210 Ų210114.7 Ų114.780%0.79567%0.669SS**Hα-helixtrans-68-34179.5-80.492.8000113.1A15W11-A15 WeakPolarHBondContact O-CB 3.45Å; W11-A15 PolarHBondContact O-N 3.44Å
12L75.2Confident68.2Low112 Ų112105 Ų10559%0.58663%0.63SS**Hα-helixtrans-65.5-39.7176.3-76.9165.3000112.2G10 A15 L16G10-L12 PolarHBondContact O-N 3.39Å; L12-A15 PolarHBondContact O-N 3.49Å; L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 PolarHBondContact O-N 3.02Å
13I77.6Confident70.3Confident110 Ų110104.9 Ų104.956%0.56461%0.613SS**Hα-helixtrans-67.8-44.6178.3-64170.5000110.7C9 G10 A15 L16 V17C9-I13 PolarHBondContact O-N 3.23Å; G10-I13 PolarHBondContact O-N 3.43Å; I13-A15 VanDerWaalsContact C-N 3.32Å; I13-A15 PolarHBondContact O-N 3.35Å; I13-L16 PolarHBondContact O-N 3.02Å; I13-V17 HydrophobicContact CG2-CG2 4.49Å; I13-V17 WeakPolarHBondContact O-CG2 3.4Å; I13-V17 PolarHBondContact O-N 3.49Å
14V80.2Confident72.1Confident94 Ų94103.2 Ų103.257%0.5761%0.605SS**Hα-helixtrans-61.7-41.7177.71750000111.1G10 V17 A18G10-V14 WeakPolarHBondContact O-CG2 3.38Å; G10-V14 PolarHBondContact O-N 2.98Å; V14-V17 PolarHBondContact O-N 3.41Å; V14-A18 WeakPolarHBondContact O-CB 3.28Å; V14-A18 PolarHBondContact O-N 3.25Å
15A80.8Confident73.9Confident59 Ų5995.4 Ų95.449%0.48858%0.58SS.*Hα-helixtrans-64.1-40.8176.600000112.4W11 L12 I13 S19W11-A15 WeakPolarHBondContact O-CB 3.45Å; W11-A15 PolarHBondContact O-N 3.44Å; L12-A15 PolarHBondContact O-N 3.49Å; I13-A15 VanDerWaalsContact C-N 3.32Å; I13-A15 PolarHBondContact O-N 3.35Å; A15-S19 VanDerWaalsContact O-CB 3.28Å; A15-S19 WeakPolarHBondContact O-CB 3.35Å; A15-S19 PolarHBondContact O-N 3.27Å
16L84Confident75.5Confident112 Ų11293.3 Ų93.359%0.58657%0.567SS**Hα-helixtrans-63-45.3175.5-94.9156.5000112.4L12 I13 S19 L20L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 PolarHBondContact O-N 3.02Å; I13-L16 PolarHBondContact O-N 3.02Å; L16-S19 PolarHBondContact O-N 2.92Å; L16-L20 PolarHBondContact O-N 2.91Å
17V84.7Confident76.8Confident82 Ų8286.2 Ų86.250%0.49754%0.541SS..Hα-helixtrans-65.2-45177.8174.70000110.9I13 V14 S19 L20 V21I13-V17 HydrophobicContact CG2-CG2 4.49Å; I13-V17 WeakPolarHBondContact O-CG2 3.4Å; I13-V17 PolarHBondContact O-N 3.49Å; V14-V17 PolarHBondContact O-N 3.41Å; V17-S19 VanDerWaalsContact C-N 3.3Å; V17-S19 PolarHBondContact O-N 3.47Å; V17-L20 PolarHBondContact O-N 3.43Å; V17-V21 HydrophobicContact CG1-CG2 4.48Å; V17-V21 WeakPolarHBondContact O-CG2 3.34Å; V17-V21 PolarHBondContact O-N 2.93Å
18A85.5Confident77.7Confident58 Ų5886.2 Ų86.248%0.47954%0.536SS..Hα-helixtrans-61.7-39.1176.500000111.9V14 V21 A22V14-A18 WeakPolarHBondContact O-CB 3.28Å; V14-A18 PolarHBondContact O-N 3.25Å; A18-V21 PolarHBondContact O-N 2.94Å; A18-A22 WeakPolarHBondContact O-CB 3.33Å; A18-A22 PolarHBondContact O-N 2.96Å
19S85.3Confident78.4Confident69 Ų6985.8 Ų85.848%0.48353%0.525SS..Hα-helixtrans-64.7-45.2175.5-172.80000111.6A15 L16 V17 V21 A22 T23A15-S19 VanDerWaalsContact O-CB 3.28Å; A15-S19 WeakPolarHBondContact O-CB 3.35Å; A15-S19 PolarHBondContact O-N 3.27Å; L16-S19 PolarHBondContact O-N 2.92Å; V17-S19 VanDerWaalsContact C-N 3.3Å; V17-S19 PolarHBondContact O-N 3.47Å; S19-V21 PolarHBondContact O-N 3.27Å; S19-A22 PolarHBondContact O-N 3.46Å; S19-T23 PolarHBondContact O-N 2.9Å; S19-T23 PolarHBondContact O-OG1 3.39Å
20L87.1Confident78.6Confident120 Ų12086.2 Ų86.263%0.62852%0.519SS*.Hα-helixtrans-59.9-43.7175.1-88.1158.9000112.7L16 V17 T23 A24L16-L20 PolarHBondContact O-N 2.91Å; V17-L20 PolarHBondContact O-N 3.43Å; L20-T23 PolarHBondContact O-N 2.91Å; L20-A24 WeakPolarHBondContact O-CB 3.4Å; L20-A24 PolarHBondContact O-N 2.84Å
21V88.1Confident78.2Confident94 Ų9491.8 Ų91.857%0.5753%0.53SS*.Hα-helixtrans-64.7-42.8176.8173.30000110.9V17 A18 S19 A24 A25V17-V21 HydrophobicContact CG1-CG2 4.48Å; V17-V21 WeakPolarHBondContact O-CG2 3.34Å; V17-V21 PolarHBondContact O-N 2.93Å; A18-V21 PolarHBondContact O-N 2.94Å; S19-V21 PolarHBondContact O-N 3.27Å; V21-A24 PolarHBondContact O-N 2.83Å; V21-A25 WeakPolarHBondContact O-CB 3.26Å; V21-A25 PolarHBondContact O-N 3.32Å
22A86.3Confident77.2Confident53 Ų5390.5 Ų90.544%0.43853%0.53SS..Hα-helixtrans-64-42.7176.200000111.6A18 S19 A25 V26A18-A22 WeakPolarHBondContact O-CB 3.33Å; A18-A22 PolarHBondContact O-N 2.96Å; S19-A22 PolarHBondContact O-N 3.46Å; A22-A25 PolarHBondContact O-N 3.32Å; A22-V26 WeakPolarHBondContact O-CB 3.45Å; A22-V26 VanDerWaalsContact O-CG2 3.26Å; A22-V26 WeakPolarHBondContact O-CG2 3.26Å; A22-V26 PolarHBondContact O-N 2.91Å
23T85Confident75.4Confident77 Ų7793 Ų9347%0.47254%0.536SS..Hα-helixtrans-63.6-42.7175.7-52.70000111.2S19 L20 A25 V26 V27S19-T23 PolarHBondContact O-N 2.9Å; S19-T23 PolarHBondContact O-OG1 3.39Å; L20-T23 PolarHBondContact O-N 2.91Å; T23-A25 PolarHBondContact O-N 3.38Å; T23-V26 PolarHBondContact O-N 3.29Å; T23-V27 HydrophobicContact CG2-CG2 4.4Å; T23-V27 WeakPolarHBondContact O-CB 3.4Å; T23-V27 VanDerWaalsContact O-CG2 3.26Å; T23-V27 WeakPolarHBondContact O-CG2 3.29Å; T23-V27 PolarHBondContact O-N 2.82Å
24A81.9Confident73.6Confident62 Ų6293.6 Ų93.651%0.51255%0.545SS..Hα-helixtrans-62.4-41.7175.400000112.1L20 V21 V27 A28L20-A24 WeakPolarHBondContact O-CB 3.4Å; L20-A24 PolarHBondContact O-N 2.84Å; V21-A24 PolarHBondContact O-N 2.83Å; A24-V27 PolarHBondContact O-N 3.27Å; A24-A28 WeakPolarHBondContact O-CB 3.42Å; A24-A28 PolarHBondContact O-N 3.47Å
25A82.9Confident71.5Confident46 Ų4692.2 Ų92.238%0.3855%0.55SS..Hα-helixtrans-65.1-43.1175.100000111.9V21 A22 T23 A28 I29V21-A25 WeakPolarHBondContact O-CB 3.26Å; V21-A25 PolarHBondContact O-N 3.32Å; A22-A25 PolarHBondContact O-N 3.32Å; T23-A25 PolarHBondContact O-N 3.38Å; A25-A28 PolarHBondContact O-N 3.29Å; A25-I29 WeakPolarHBondContact O-CB 3.26Å; A25-I29 WeakPolarHBondContact O-CD1 3.45Å; A25-I29 WeakPolarHBondContact O-CG1 3.27Å; A25-I29 PolarHBondContact O-N 2.72Å
26V80.5Confident69.1Low76 Ų7691.9 Ų91.946%0.46155%0.552SS.*Hα-helixtrans-64.4-42.7175.8171.50000110.7A22 T23 A28 I29 M30A22-V26 WeakPolarHBondContact O-CB 3.45Å; A22-V26 VanDerWaalsContact O-CG2 3.26Å; A22-V26 WeakPolarHBondContact O-CG2 3.26Å; A22-V26 PolarHBondContact O-N 2.91Å; T23-V26 PolarHBondContact O-N 3.29Å; V26-A28 VanDerWaalsContact C-N 3.34Å; V26-A28 PolarHBondContact O-N 2.88Å; V26-I29 CarbonylContact O-C 3.59Å; V26-I29 PolarHBondContact O-N 3.09Å; V26-M30 HydrophobicContact CG1-CG 4.13Å; V26-M30 HydrophobicContact CG1-SD 3.91Å; V26-M30 VanDerWaalsContact O-CB 3.27Å; V26-M30 WeakPolarHBondContact O-CB 3.18Å; V26-M30 VanDerWaalsContact O-CG 3.26Å; V26-M30 WeakPolarHBondContact O-CG 3.42Å; V26-M30 PolarHBondContact O-N 3.48Å
27V74.6Confident66.9Low70 Ų7089.9 Ų89.942%0.42456%0.558SS.*Hα-helixtrans-63.9-38.7175170.90000111.1T23 A24 M30 K31T23-V27 HydrophobicContact CG2-CG2 4.4Å; T23-V27 WeakPolarHBondContact O-CB 3.4Å; T23-V27 VanDerWaalsContact O-CG2 3.26Å; T23-V27 WeakPolarHBondContact O-CG2 3.29Å; T23-V27 PolarHBondContact O-N 2.82Å; A24-V27 PolarHBondContact O-N 3.27Å; V27-M30 PolarHBondContact O-N 2.85Å; V27-K31 HydrophobicContact CG1-CD 4.49Å; V27-K31 HydrophobicContact CG1-CG 4.49Å; V27-K31 WeakPolarHBondContact O-CB 3.37Å; V27-K31 WeakPolarHBondContact O-CG 3.37Å; V27-K31 PolarHBondContact O-N 2.99Å
28A72.2Confident64.9Low56 Ų5691 Ų9146%0.46357%0.57SS.*Hα-helixtrans-66.3-40.7174.600000112.2A24 A25 V26 K32A24-A28 WeakPolarHBondContact O-CB 3.42Å; A24-A28 PolarHBondContact O-N 3.47Å; A25-A28 PolarHBondContact O-N 3.29Å; V26-A28 VanDerWaalsContact C-N 3.34Å; V26-A28 PolarHBondContact O-N 2.88Å; A28-K32 WeakPolarHBondContact O-CB 3.49Å; A28-K32 PolarHBondContact O-N 3.44Å
29I69.1Low62.8Low97 Ų9792.1 Ų92.150%0.49759%0.586SS.*Hα-helixtrans-68.5-39.4175.4-67.5163.9000110.7A25 V26 K32 K33A25-I29 WeakPolarHBondContact O-CB 3.26Å; A25-I29 WeakPolarHBondContact O-CD1 3.45Å; A25-I29 WeakPolarHBondContact O-CG1 3.27Å; A25-I29 PolarHBondContact O-N 2.72Å; V26-I29 CarbonylContact O-C 3.59Å; V26-I29 PolarHBondContact O-N 3.09Å; I29-K32 CarbonylContact O-C 3.54Å; I29-K32 WeakPolarHBondContact O-CB 3.31Å; I29-K32 PolarHBondContact O-N 3.13Å; I29-K33 PolarHBondContact O-N 3.18Å
30M61.3Low61.2Low108 Ų10899.4 Ų99.453%0.53260%0.603SS.*Hα-helixtrans-70.7-38.7176.5-74.4-172.875.500111.4V26 V27 K32 K33 V34V26-M30 HydrophobicContact CG1-CG 4.13Å; V26-M30 HydrophobicContact CG1-SD 3.91Å; V26-M30 VanDerWaalsContact O-CB 3.27Å; V26-M30 WeakPolarHBondContact O-CB 3.18Å; V26-M30 VanDerWaalsContact O-CG 3.26Å; V26-M30 WeakPolarHBondContact O-CG 3.42Å; V26-M30 PolarHBondContact O-N 3.48Å; V27-M30 PolarHBondContact O-N 2.85Å; M30-K32 VanDerWaalsContact C-N 3.29Å; M30-K32 PolarHBondContact O-N 3.1Å; M30-K33 CarbonylContact O-C 3.54Å; M30-K33 PolarHBondContact O-N 3.35Å; M30-V34 WeakPolarHBondContact O-CB 3.48Å; M30-V34 VanDerWaalsContact O-CG2 3.29Å; M30-V34 WeakPolarHBondContact O-CG2 3.42Å; M30-V34 PolarHBondContact O-N 3.45Å
31K53Low59.8Low162 Ų162103 Ų10370%0.70461%0.614SS**Hα-helixtrans-61.8-37.7169.4-80.3-171.7173.5-1730111.5V27 K33 G35V27-K31 HydrophobicContact CG1-CD 4.49Å; V27-K31 HydrophobicContact CG1-CG 4.49Å; V27-K31 WeakPolarHBondContact O-CB 3.37Å; V27-K31 WeakPolarHBondContact O-CG 3.37Å; V27-K31 PolarHBondContact O-N 2.99Å; K31-K33 VanDerWaalsContact C-N 3.32Å; K31-K33 PolarHBondContact O-N 2.71Å; K31-G35 PolarHBondContact O-N 2.99Å
32K46.6Very low59.3Low183 Ų183102.8 Ų102.880%0.79661%0.609SS**Hα-helixtrans-64.5-31169.7-91.4-174.7173.2-179.20113.5A28 I29 M30A28-K32 WeakPolarHBondContact O-CB 3.49Å; A28-K32 PolarHBondContact O-N 3.44Å; I29-K32 CarbonylContact O-C 3.54Å; I29-K32 WeakPolarHBondContact O-CB 3.31Å; I29-K32 PolarHBondContact O-N 3.13Å; M30-K32 VanDerWaalsContact C-N 3.29Å; M30-K32 PolarHBondContact O-N 3.1Å
33K37.2Very low59.4Low166 Ų166109.1 Ų109.172%0.72263%0.627SS**Hα-helixtrans-89-32.8-179.2-80.4-173173.7-175.40114.3I29 M30 K31I29-K33 PolarHBondContact O-N 3.18Å; M30-K33 CarbonylContact O-C 3.54Å; M30-K33 PolarHBondContact O-N 3.35Å; K31-K33 VanDerWaalsContact C-N 3.32Å; K31-K33 PolarHBondContact O-N 2.71Å
34V39.1Very low59.6Low122 Ų122108.4 Ų108.474%0.73962%0.623SS**Hα-helixtrans-86.6-19.8-175.7179.50000111.9M30M30-V34 WeakPolarHBondContact O-CB 3.48Å; M30-V34 VanDerWaalsContact O-CG2 3.29Å; M30-V34 WeakPolarHBondContact O-CG2 3.42Å; M30-V34 PolarHBondContact O-N 3.45Å
35G35.7Very low60Low65 Ų65108.7 Ų108.767%0.6762%0.616SS**THydrogen-bonded Turntrans-87.40.5169.100000115K31 G37K31-G35 PolarHBondContact O-N 2.99Å; G35-G37 PolarHBondContact O-N 2.84Å; G35-G37 VanDerWaalsContact O-N 3.08Å
36G31.5Very low60.3Low52 Ų52111.9 Ų111.954%0.53663%0.633SS.*  trans-86.968.4-169.500000113.9S38G36-S38 PolarHBondContact O-N 3.5Å
37G37.9Very low60.7Low70 Ų70111 Ų11172%0.72263%0.628SS**  trans-53.2125.3151.600000107.6G35 G39G35-G37 PolarHBondContact O-N 2.84Å; G35-G37 VanDerWaalsContact O-N 3.08Å; G37-G39 PolarHBondContact O-N 2.74Å; G37-G39 VanDerWaalsContact O-N 3.16Å
38S41.3Very low61.2Low106 Ų106109 Ų10974%0.74162%0.616SS**  trans-45.8124.1-173.367.50000110.8G36 R40G36-S38 PolarHBondContact O-N 3.5Å; S38-R40 PolarHBondContact O-N 3.48Å
39G42.3Very low61.9Low80 Ų80108.2 Ų108.283%0.82561%0.614SS**  trans-67.657.3178.100000113.2G37 K41G37-G39 PolarHBondContact O-N 2.74Å; G37-G39 VanDerWaalsContact O-N 3.16Å; G39-K41 PolarHBondContact O-N 3.15Å
40R51.7Low62.7Low222 Ų222109.1 Ų109.184%0.83863%0.626SS**  trans-64.3104.1163-151.9177.5-167.2-177.92.9104.3S38 L42S38-R40 PolarHBondContact O-N 3.48Å; R40-L42 PolarHBondContact O-N 2.73Å
41K58.1Low63.9Low197 Ų197106 Ų10686%0.85761%0.614SS**  trans-46.8110170.7-78.4-174.1175.2-175.50106.6G39 K43G39-K41 PolarHBondContact O-N 3.15Å; K41-K43 PolarHBondContact O-N 3.34Å; K41-K43 VanDerWaalsContact O-N 3.14Å
42L77.8Confident65.5Low89 Ų89100.4 Ų100.447%0.46660%0.602SS.*PPolyproline II helixtrans-57.8122.7175.1-76163000105.8R40 A398 A399 Y406R40-L42 PolarHBondContact O-N 2.73Å; L42-A398 HydrophobicContact CB-CB 4.11Å; L42-A398 WeakPolarHBondContact O-CB 3.43Å; L42-A399 HydrophobicContact CD1-CB 3.74Å; L42-Y406 HydrophobicContact CD1-CG 4.41Å
43K87.6Confident67.7Low185 Ų18596.2 Ų96.280%0.80460%0.601SS**PPolyproline II helixtrans-75.5138.2175.4-73-172.7176.5-174.50107.3K41K41-K43 PolarHBondContact O-N 3.34Å; K41-K43 VanDerWaalsContact O-N 3.14Å
44P89.9Confident70.5Confident62 Ų6291.8 Ų91.840%0.40359%0.585SS.*PPolyproline II helixtrans-53.5143.8170.4-23.633.1000111Q396 A398P44-Q396 HydrophobicContact CB-CB 3.89Å; P44-Q396 WeakPolarHBondContact CB-O 3.31Å; P44-Q396 HydrophobicContact CG-CB 4.27Å; P44-Q396 WeakPolarHBondContact CG-O 3.3Å; P44-A398 HydrophobicContact CB-CB 4.48Å; P44-A398 HydrophobicContact CG-CB 4.08Å
45L89.3Confident73.3Confident69 Ų6989.3 Ų89.336%0.36157%0.567SS.*PPolyproline II helixtrans-71.1155.1169.5-65.5171.8000109.6L393 T410L45-L393 HydrophobicContact CB-CD2 3.74Å; L45-L393 HydrophobicContact CD1-CD2 3.82Å; L45-L393 HydrophobicContact CG-CD2 4.4Å; L45-T410 VanDerWaalsContact CD1-OG1 3.3Å; L45-T410 WeakPolarHBondContact CD1-OG1 3.49Å
46P88.9Confident76.2Confident113 Ų11390 Ų9073%0.73456%0.562SS**PPolyproline II helixtrans-58.3140.9173.1-21.933.4000111.4P48P46-P48 WeakPolarHBondContact O-CD 3.47Å
47V90.3Very high79.4Confident58 Ų5890.7 Ų90.735%0.35255%0.55SS.*PPolyproline II helixtrans-66.7125.4173.2-177.70000108.6Q396V47-Q396 HydrophobicContact CG2-CG 3.7Å
48P84.6Confident82.3Confident26 Ų2687.9 Ų87.917%0.16952%0.518CS..PPolyproline II helixtrans-61.6141.6175.3-2132.3000111.8P46 L393 T520 S522P46-P48 WeakPolarHBondContact O-CD 3.47Å; P48-L393 HydrophobicContact CG-CD1 4.18Å; P48-T520 HydrophobicContact CB-CG2 3.81Å; P48-T520 HydrophobicContact CG-CG2 3.48Å; P48-T520 VanDerWaalsContact CG-CG2 3.48Å; P48-S522 VanDerWaalsContact O-CB 3.29Å; P48-S522 WeakPolarHBondContact O-CB 3.42Å; P48-S522 PolarHBondContact O-N 3.44Å; P48-S522 PolarHBondContact O-OG 3.23Å
49G87.8Confident85Confident41 Ų4183.2 Ų83.242%0.42349%0.486SS..  trans-79.5-148.6174.100000112.5S521 S522G49-S521 VanDerWaalsContact O-CA 3.29Å; G49-S521 WeakPolarHBondContact O-CA 3.29Å; G49-S521 WeakPolarHBondContact O-CB 3.47Å; G49-S522 PolarHBondContact O-N 2.91Å
50P85.9Confident87.6Confident115 Ų11584.4 Ų84.475%0.74747%0.474SS*.SBendtrans-57162.1167.1-21.633.3000112.1G52P50-G52 PolarHBondContact O-N 3.06Å
51P86.3Confident89.9Confident43 Ų4373.8 Ų73.828%0.27943%0.434SS..  trans-42.8125.4175.1-33.938.5000113.1D133 A137 T519P51-D133 WeakPolarHBondContact CD-OD2 3.22Å; P51-D133 HydrophobicContact CG-CB 3.9Å; P51-D133 WeakPolarHBondContact CG-OD2 3.33Å; P51-A137 HydrophobicContact CB-CB 4.47Å; P51-T519 HydrophobicContact CB-CG2 3.78Å
52G85.5Confident91.8Very high45 Ų4564.4 Ų64.446%0.46439%0.393SS..  trans-86.4-148.2-178.900000113.1P50 T519P50-G52 PolarHBondContact O-N 3.06Å; G52-T519 WeakPolarHBondContact CA-OG1 3.35Å; G52-T519 PolarHBondContact N-OG1 3Å
53A92.3Very high92.8Very high94 Ų9460.9 Ų60.978%0.77738%0.378SS*.SBendtrans-61143.8172.400000110.8T519A53-T519 WeakPolarHBondContact O-CB 3.31Å; A53-T519 PolarHBondContact O-OG1 2.65Å
54I96.3Very high93.3Very high73 Ų7353.1 Ų53.137%0.37435%0.346SS..  trans-85.5125.3178-58.9-58.5000109.3S56 A137 T138 V518 T519I54-S56 PolarHBondContact O-N 2.76Å; I54-A137 HydrophobicContact CD1-CB 3.7Å; I54-T138 HydrophobicContact CD1-CG2 4.3Å; I54-T138 HydrophobicContact CG2-CG2 3.96Å; I54-V518 HydrophobicContact CD1-CG1 3.69Å; I54-V518 HydrophobicContact CG2-CG1 4.02Å; I54-T519 HydrophobicContact CD1-CG2 4.36Å
55D97.6Very high93.7Very high70 Ų7050.1 Ų50.137%0.37433%0.327SS..  trans-76.3105.7163-170.8-37.7000108.4K57 Y58 G59 V518D55-K57 PolarHBondContact O-N 2.76Å; D55-K57 WeakPolarHBondContact OD1-CB 3.33Å; D55-K57 PolarHBondContact OD1-N 3.44Å; D55-Y58 HydrophobicContact CB-CD2 3.79Å; D55-Y58 HydrophobicContact CB-CE2 4.37Å; D55-Y58 VanDerWaalsContact CG-CD2 3.5Å; D55-Y58 PolarHBondContact O-N 3.03Å; D55-Y58 WeakPolarHBondContact OD2-CE2 3.37Å; D55-G59 PolarHBondContact O-N 2.89Å; D55-V518 PolarHBondContact N-O 3.11Å
56S97.5Very high94.2Very high79 Ų7947.1 Ų47.155%0.55231%0.311SS*.Hα-helixtrans-60.4-28.7-176.761.80000112.4I54 Y58 G59 D60I54-S56 PolarHBondContact O-N 2.76Å; S56-Y58 PolarHBondContact O-N 3.44Å; S56-G59 PolarHBondContact O-N 3.29Å; S56-D60 VanDerWaalsContact O-CB 3.29Å; S56-D60 WeakPolarHBondContact O-CB 3.4Å; S56-D60 PolarHBondContact O-N 3.48Å
57K98.1Very high94.6Very high67 Ų6744.9 Ų44.929%0.29129%0.291SS..Hα-helixtrans-58.7-50.4178.8-175.3-171.6177.6175.80110.6D55 A61 N421 Y437D55-K57 PolarHBondContact O-N 2.76Å; D55-K57 WeakPolarHBondContact OD1-CB 3.33Å; D55-K57 PolarHBondContact OD1-N 3.44Å; K57-A61 WeakPolarHBondContact O-CB 3.29Å; K57-A61 PolarHBondContact O-N 2.74Å; K57-N421 PolarHBondContact NZ-OD1 3.37Å; K57-Y437 WeakPolarHBondContact CG-OH 3.42Å; K57-Y437 PolarHBondContact O-OH 3.42Å
58Y98.6Very high95Very high11 Ų1142.1 Ų42.14%0.04327%0.274CS..Hα-helixtrans-79.3-32.2-179.3-54.8-59.6000112D55 S56 A61 L62 I417 A420 N421 L424 L514 L517D55-Y58 HydrophobicContact CB-CD2 3.79Å; D55-Y58 HydrophobicContact CB-CE2 4.37Å; D55-Y58 VanDerWaalsContact CG-CD2 3.5Å; D55-Y58 PolarHBondContact O-N 3.03Å; D55-Y58 WeakPolarHBondContact OD2-CE2 3.37Å; S56-Y58 PolarHBondContact O-N 3.44Å; Y58-A61 PolarHBondContact O-N 3.25Å; Y58-L62 VanDerWaalsContact O-CB 3.27Å; Y58-L62 WeakPolarHBondContact O-CB 3.35Å; Y58-L62 PolarHBondContact O-N 3.06Å; Y58-I417 WeakPolarHBondContact OH-CG2 3.38Å; Y58-A420 HydrophobicContact CE1-CB 4.11Å; Y58-N421 PolarHBondContact OH-OD1 2.95Å; Y58-N421 VanDerWaalsContact OH-OD1 3.1Å; Y58-L424 HydrophobicContact CD1-CD1 4.1Å; Y58-L424 HydrophobicContact CE1-CD1 4.23Å; Y58-L514 HydrophobicContact CD1-CD2 3.93Å; Y58-L517 HydrophobicContact CD1-CB 4.12Å; Y58-L517 HydrophobicContact CD1-CD1 4.25Å; Y58-L517 HydrophobicContact CD2-CB 3.72Å; Y58-L517 VanDerWaalsContact CD2-O 3.3Å; Y58-L517 WeakPolarHBondContact CD2-O 3.39Å; Y58-L517 HydrophobicContact CE1-CB 4.39Å; Y58-L517 HydrophobicContact CE1-CD1 3.93Å; Y58-L517 HydrophobicContact CE2-CB 4.03Å; Y58-L517 HydrophobicContact CG-CB 3.78Å
59G98.2Very high95.6Very high8 Ų840.9 Ų40.98%0.08227%0.266CS..Hα-helixtrans-60.3-46.6173.600000112.5D55 S56 L62 G63D55-G59 PolarHBondContact O-N 2.89Å; S56-G59 PolarHBondContact O-N 3.29Å; G59-L62 PolarHBondContact O-N 3.49Å; G59-G63 PolarHBondContact O-N 3.33Å
60D98.4Very high96.1Very high105 Ų10540.2 Ų40.256%0.56125%0.252SS*.Hα-helixtrans-67.3-42177.1-66.5-17.8000111.1S56 L62 G63 V64 Y437S56-D60 VanDerWaalsContact O-CB 3.29Å; S56-D60 WeakPolarHBondContact O-CB 3.4Å; S56-D60 PolarHBondContact O-N 3.48Å; D60-L62 VanDerWaalsContact C-N 3.33Å; D60-L62 PolarHBondContact O-N 2.97Å; D60-G63 PolarHBondContact O-N 2.96Å; D60-V64 WeakPolarHBondContact O-CG2 3.48Å; D60-V64 PolarHBondContact O-N 3.48Å; D60-V64 VanDerWaalsContact O-N 3.07Å; D60-Y437 HydrophobicContact CB-CE2 4.18Å
61A98.7Very high96.7Very high0 Ų034.9 Ų34.90%022%0.217CC..Hα-helixtrans-61.8-40.4176.700000112K57 Y58 V64 A65 L424 L434 Y437 L514K57-A61 WeakPolarHBondContact O-CB 3.29Å; K57-A61 PolarHBondContact O-N 2.74Å; Y58-A61 PolarHBondContact O-N 3.25Å; A61-V64 PolarHBondContact O-N 3.08Å; A61-A65 WeakPolarHBondContact O-CB 3.33Å; A61-A65 PolarHBondContact O-N 3.33Å; A61-L424 HydrophobicContact CB-CD1 3.98Å; A61-L424 HydrophobicContact CB-CD2 3.82Å; A61-L434 HydrophobicContact CB-CD2 4.2Å; A61-Y437 VanDerWaalsContact CA-CE2 3.49Å; A61-Y437 HydrophobicContact CB-CD2 3.84Å; A61-Y437 HydrophobicContact CB-CE2 3.52Å; A61-L514 HydrophobicContact CB-CD1 3.8Å; A61-L514 HydrophobicContact CB-CD2 3.91Å; A61-L514 HydrophobicContact CB-CG 4.48Å
62L98.8Very high97.2Very high0 Ų032.9 Ų32.90%020%0.204CC..Hα-helixtrans-63.1-44.2178178.162.2000111.3Y58 G59 D60 V64 A65 L66 M135 Q140 V511 L514 S515 V518Y58-L62 VanDerWaalsContact O-CB 3.27Å; Y58-L62 WeakPolarHBondContact O-CB 3.35Å; Y58-L62 PolarHBondContact O-N 3.06Å; G59-L62 PolarHBondContact O-N 3.49Å; D60-L62 VanDerWaalsContact C-N 3.33Å; D60-L62 PolarHBondContact O-N 2.97Å; L62-V64 VanDerWaalsContact C-N 3.27Å; L62-V64 PolarHBondContact O-N 3.32Å; L62-A65 PolarHBondContact O-N 3.33Å; L62-L66 HydrophobicContact CD1-CD1 4.03Å; L62-L66 HydrophobicContact CD1-CG 4.41Å; L62-L66 HydrophobicContact CG-CD1 4.16Å; L62-L66 PolarHBondContact O-N 3.01Å; L62-L66 VanDerWaalsContact O-N 3.12Å; L62-M135 HydrophobicContact CD2-CG 4.48Å; L62-Q140 HydrophobicContact CD2-CB 3.82Å; L62-Q140 HydrophobicContact CD2-CG 3.92Å; L62-Q140 HydrophobicContact CG-CB 4.03Å; L62-Q140 HydrophobicContact CG-CG 3.93Å; L62-V511 HydrophobicContact CD1-CB 4.31Å; L62-V511 HydrophobicContact CD1-CG1 3.92Å; L62-V511 HydrophobicContact CD1-CG2 4.32Å; L62-L514 HydrophobicContact CB-CB 4.14Å; L62-L514 HydrophobicContact CD1-CB 4.23Å; L62-S515 WeakPolarHBondContact CD1-OG 3.45Å; L62-V518 HydrophobicContact CD2-CG2 4.02Å
63G98.3Very high97.8Very high15 Ų1530.9 Ų30.916%0.15518%0.183CC..Hα-helixtrans-64.3-29.5175.700000113.7G59 D60 Q67G59-G63 PolarHBondContact O-N 3.33Å; D60-G63 PolarHBondContact O-N 2.96Å; G63-Q67 PolarHBondContact O-NE2 2.83Å; G63-Q67 VanDerWaalsContact O-NE2 3.13Å
64V98.5Very high98.1Very high21 Ų2126.4 Ų26.413%0.12715%0.146CC..Hα-helixtrans-73.9-50.5170.9172.40000110.8D60 A61 L62 L66 Q67 L434 Y437 M477 G478D60-V64 WeakPolarHBondContact O-CG2 3.48Å; D60-V64 PolarHBondContact O-N 3.48Å; D60-V64 VanDerWaalsContact O-N 3.07Å; A61-V64 PolarHBondContact O-N 3.08Å; L62-V64 VanDerWaalsContact C-N 3.27Å; L62-V64 PolarHBondContact O-N 3.32Å; V64-L66 VanDerWaalsContact C-N 3.32Å; V64-L66 PolarHBondContact O-N 2.82Å; V64-Q67 WeakPolarHBondContact O-CB 3.44Å; V64-Q67 PolarHBondContact O-N 3.28Å; V64-Q67 VanDerWaalsContact O-N 3.08Å; V64-L434 HydrophobicContact CB-CD2 4.26Å; V64-L434 HydrophobicContact CG1-CD1 4.38Å; V64-L434 HydrophobicContact CG1-CD2 4.07Å; V64-L434 HydrophobicContact CG1-CG 4Å; V64-Y437 HydrophobicContact CG2-CD2 4.37Å; V64-M477 HydrophobicContact CG1-CG 4.41Å; V64-M477 HydrophobicContact CG1-SD 3.81Å; V64-G478 WeakPolarHBondContact O-CA 3.26Å
65A98.7Very high98.2Very high0 Ų022.9 Ų22.90%013%0.128CC..Hα-helixtrans-57.2-39.9-175.600000113.6A61 L62 Q67 F68 L434 L510 V511 L514A61-A65 WeakPolarHBondContact O-CB 3.33Å; A61-A65 PolarHBondContact O-N 3.33Å; L62-A65 PolarHBondContact O-N 3.33Å; A65-Q67 PolarHBondContact O-N 2.96Å; A65-F68 PolarHBondContact O-N 3.3Å; A65-L434 HydrophobicContact CB-CD1 4.13Å; A65-L434 HydrophobicContact CB-CD2 4.28Å; A65-L510 HydrophobicContact CB-CD2 4.23Å; A65-V511 HydrophobicContact CB-CG2 4.16Å; A65-L514 HydrophobicContact CB-CD1 3.99Å
66L98.4Very high98.3Very high5 Ų526.1 Ų26.13%0.02614%0.138CC..THydrogen-bonded Turntrans-65.9-19.5179.7-79.8161.6000114.2L62 V64 F68 F69 Q140 P143 A144 V511L62-L66 HydrophobicContact CD1-CD1 4.03Å; L62-L66 HydrophobicContact CD1-CG 4.41Å; L62-L66 HydrophobicContact CG-CD1 4.16Å; L62-L66 PolarHBondContact O-N 3.01Å; L62-L66 VanDerWaalsContact O-N 3.12Å; V64-L66 VanDerWaalsContact C-N 3.32Å; V64-L66 PolarHBondContact O-N 2.82Å; L66-F68 PolarHBondContact O-N 2.9Å; L66-F69 HydrophobicContact CD2-CD2 4.05Å; L66-F69 HydrophobicContact CD2-CE2 4.06Å; L66-F69 WeakPolarHBondContact O-CD2 2.99Å; L66-F69 PolarHBondContact O-N 2.99Å; L66-Q140 HydrophobicContact CD1-CB 3.6Å; L66-Q140 HydrophobicContact CD1-CG 4.2Å; L66-P143 HydrophobicContact CB-CB 4.38Å; L66-P143 HydrophobicContact CD1-CB 4.32Å; L66-A144 HydrophobicContact CD2-CB 3.89Å; L66-V511 HydrophobicContact CD2-CG1 4.01Å; L66-V511 HydrophobicContact CD2-CG2 3.81Å; L66-V511 HydrophobicContact CG-CG1 4.41Å; L66-V511 HydrophobicContact CG-CG2 3.85Å
67Q97.9Very high98.2Very high66 Ų6623.5 Ų23.531%0.30812%0.118SC..Hα-helixtrans-69.6-23.1179.9-68.9179.462.300112.8G63 V64 A65 F69 Q70 V71 M477G63-Q67 PolarHBondContact O-NE2 2.83Å; G63-Q67 VanDerWaalsContact O-NE2 3.13Å; V64-Q67 WeakPolarHBondContact O-CB 3.44Å; V64-Q67 PolarHBondContact O-N 3.28Å; V64-Q67 VanDerWaalsContact O-N 3.08Å; A65-Q67 PolarHBondContact O-N 2.96Å; Q67-F69 PolarHBondContact O-N 3.39Å; Q67-Q70 WeakPolarHBondContact O-CB 3.49Å; Q67-Q70 PolarHBondContact O-N 3.24Å; Q67-V71 PolarHBondContact O-N 2.94Å; Q67-V71 VanDerWaalsContact O-N 3.15Å; Q67-M477 CarbonylContact C-O 3.57Å; Q67-M477 HydrophobicContact CB-CB 4.26Å; Q67-M477 HydrophobicContact CB-CG 3.96Å; Q67-M477 HydrophobicContact CG-CG 4.35Å; Q67-M477 VanDerWaalsContact OE1-CG 3.26Å
68F98.3Very high98Very high0 Ų025.7 Ų25.70%013%0.129CC..Hα-helixtrans-64.2-32-179.7-170.8-124.2000112.5A65 L66 Q70 V71 Q72 M477 G478 A479 S502 S503 T504 S507A65-F68 PolarHBondContact O-N 3.3Å; L66-F68 PolarHBondContact O-N 2.9Å; F68-Q70 VanDerWaalsContact C-N 3.27Å; F68-Q70 PolarHBondContact O-N 2.72Å; F68-V71 HydrophobicContact CD2-CB 4.02Å; F68-V71 HydrophobicContact CD2-CG1 4.07Å; F68-V71 HydrophobicContact CE2-CB 4.47Å; F68-V71 HydrophobicContact CE2-CG1 4.06Å; F68-V71 CarbonylContact O-C 3.35Å; F68-V71 WeakPolarHBondContact O-CA 3.48Å; F68-V71 VanDerWaalsContact O-CB 3.31Å; F68-V71 WeakPolarHBondContact O-CB 3.38Å; F68-V71 PolarHBondContact O-N 2.95Å; F68-Q72 HydrophobicContact CD1-CG 4.14Å; F68-Q72 HydrophobicContact CD2-CG 4.37Å; F68-Q72 HydrophobicContact CE1-CG 3.67Å; F68-Q72 HydrophobicContact CE2-CG 3.93Å; F68-Q72 HydrophobicContact CG-CG 4.46Å; F68-Q72 VanDerWaalsContact CZ-CD 3.48Å; F68-Q72 HydrophobicContact CZ-CG 3.55Å; F68-Q72 WeakPolarHBondContact O-CG 3.43Å; F68-Q72 PolarHBondContact O-N 2.68Å; F68-M477 WeakPolarHBondContact CA-O 3.48Å; F68-M477 PolarHBondContact N-O 2.86Å; F68-G478 WeakPolarHBondContact CB-O 3.49Å; F68-A479 HydrophobicContact CD2-CB 3.52Å; F68-A479 HydrophobicContact CE2-CB 3.6Å; F68-A479 HydrophobicContact CG-CB 4.17Å; F68-A479 HydrophobicContact CZ-CB 4.29Å; F68-S502 VanDerWaalsContact CZ-OG 3.25Å; F68-S502 WeakPolarHBondContact CZ-OG 3.44Å; F68-S503 WeakPolarHBondContact CE1-O 3.39Å; F68-T504 HydrophobicContact CE1-CG2 4.42Å; F68-S507 WeakPolarHBondContact CD1-OG 3.16Å
69F98.2Very high97.7Very high0 Ų032.5 Ų32.50%017%0.167CC..Hα-helixtrans-62.7-35.9175.4-60-63.4000112.1L66 Q67 Q72 K73 M104 T120 L124 A147 V511L66-F69 HydrophobicContact CD2-CD2 4.05Å; L66-F69 HydrophobicContact CD2-CE2 4.06Å; L66-F69 WeakPolarHBondContact O-CD2 2.99Å; L66-F69 PolarHBondContact O-N 2.99Å; Q67-F69 PolarHBondContact O-N 3.39Å; F69-Q72 PolarHBondContact O-N 2.72Å; F69-K73 WeakPolarHBondContact O-CG 3.04Å; F69-K73 PolarHBondContact O-N 2.86Å; F69-M104 HydrophobicContact CB-CE 3.62Å; F69-M104 HydrophobicContact CB-SD 4.5Å; F69-M104 HydrophobicContact CD1-CE 3.76Å; F69-M104 HydrophobicContact CD1-SD 3.81Å; F69-M104 HydrophobicContact CG-CE 4.07Å; F69-T120 HydrophobicContact CD1-CG2 4.43Å; F69-T120 HydrophobicContact CE1-CG2 3.67Å; F69-T120 HydrophobicContact CZ-CG2 4.49Å; F69-L124 HydrophobicContact CE1-CD1 4.22Å; F69-L124 HydrophobicContact CE2-CD2 4.25Å; F69-L124 HydrophobicContact CZ-CD1 4.27Å; F69-L124 HydrophobicContact CZ-CD2 4.15Å; F69-A147 HydrophobicContact CB-CB 3.64Å; F69-A147 HydrophobicContact CD1-CB 4.48Å; F69-A147 HydrophobicContact CD2-CB 4.02Å; F69-A147 HydrophobicContact CG-CB 3.77Å; F69-V511 HydrophobicContact CE2-CG2 3.8Å; F69-V511 HydrophobicContact CZ-CG2 4.37Å
70Q97.5Very high97.4Very high28 Ų2834.9 Ų34.913%0.13118%0.177CC..Hα-helixtrans-67.7-39172.7-55.4-58-37.100111.1Q67 F68 Q72 K73 I82 R85 D146Q67-Q70 WeakPolarHBondContact O-CB 3.49Å; Q67-Q70 PolarHBondContact O-N 3.24Å; F68-Q70 VanDerWaalsContact C-N 3.27Å; F68-Q70 PolarHBondContact O-N 2.72Å; Q70-Q72 PolarHBondContact O-N 3.38Å; Q70-K73 PolarHBondContact O-N 3.15Å; Q70-K73 VanDerWaalsContact OE1-CE 3.23Å; Q70-I82 HydrophobicContact CB-CD1 4.43Å; Q70-I82 HydrophobicContact CB-CG1 3.87Å; Q70-R85 PolarHBondContact O-NH1 3.13Å; Q70-D146 PolarHBondContact NE2-OD2 3.49Å
71V98Very high97.1Very high2 Ų237.2 Ų37.21%0.01219%0.185CC..Hα-helixtrans-61-32.1174.2170.70000112.3Q67 F68 I82 W84 R85 H447 A476Q67-V71 PolarHBondContact O-N 2.94Å; Q67-V71 VanDerWaalsContact O-N 3.15Å; F68-V71 HydrophobicContact CD2-CB 4.02Å; F68-V71 HydrophobicContact CD2-CG1 4.07Å; F68-V71 HydrophobicContact CE2-CB 4.47Å; F68-V71 HydrophobicContact CE2-CG1 4.06Å; F68-V71 CarbonylContact O-C 3.35Å; F68-V71 WeakPolarHBondContact O-CA 3.48Å; F68-V71 VanDerWaalsContact O-CB 3.31Å; F68-V71 WeakPolarHBondContact O-CB 3.38Å; F68-V71 PolarHBondContact O-N 2.95Å; V71-I82 HydrophobicContact CG2-CD1 4.14Å; V71-I82 HydrophobicContact CG2-CG1 4.15Å; V71-I82 HydrophobicContact CG2-CG2 4.29Å; V71-W84 HydrophobicContact CB-CH2 4.43Å; V71-W84 HydrophobicContact CG1-CH2 3.55Å; V71-W84 HydrophobicContact CG1-CZ2 4.05Å; V71-W84 HydrophobicContact CG2-CH2 4.23Å; V71-W84 HydrophobicContact CG2-CZ2 3.91Å; V71-R85 VanDerWaalsContact C-NH1 3.33Å; V71-R85 PolarHBondContact O-NH1 2.65Å; V71-H447 WeakPolarHBondContact CG1-NE2 3.43Å; V71-A476 HydrophobicContact CG1-CB 4.43Å
72Q98.2Very high96.9Very high2 Ų237.6 Ų37.61%0.00919%0.187CC..Hα-helixtrans-90.9-10.8-179.4-65.9-57.5104.100115F68 F69 Q70 A74 M104 Y105 A107 H447 T504F68-Q72 HydrophobicContact CD1-CG 4.14Å; F68-Q72 HydrophobicContact CD2-CG 4.37Å; F68-Q72 HydrophobicContact CE1-CG 3.67Å; F68-Q72 HydrophobicContact CE2-CG 3.93Å; F68-Q72 HydrophobicContact CG-CG 4.46Å; F68-Q72 VanDerWaalsContact CZ-CD 3.48Å; F68-Q72 HydrophobicContact CZ-CG 3.55Å; F68-Q72 WeakPolarHBondContact O-CG 3.43Å; F68-Q72 PolarHBondContact O-N 2.68Å; F69-Q72 PolarHBondContact O-N 2.72Å; Q70-Q72 PolarHBondContact O-N 3.38Å; Q72-A74 PolarHBondContact O-N 2.87Å; Q72-M104 HydrophobicContact CB-CB 4.03Å; Q72-M104 HydrophobicContact CB-CG 4.16Å; Q72-M104 HydrophobicContact CB-SD 4.42Å; Q72-M104 CarbonylContact O-C 3.48Å; Q72-M104 VanDerWaalsContact O-CA 3.31Å; Q72-M104 WeakPolarHBondContact O-CA 3.26Å; Q72-Y105 PolarHBondContact NE2-O 3.5Å; Q72-Y105 WeakPolarHBondContact O-CD2 3.49Å; Q72-Y105 PolarHBondContact O-N 3.5Å; Q72-A107 PolarHBondContact NE2-O 3.44Å; Q72-H447 PolarHBondContact OE1-CD2 3.31Å; Q72-H447 PolarHBondContact OE1-NE2 3.5Å; Q72-T504 HydrophobicContact CB-CG2 3.98Å; Q72-T504 HydrophobicContact CG-CG2 3.69Å
73K98.1Very high96.6Very high2 Ų243.6 Ų43.61%0.00923%0.226CC..BIsolated β-bridgetrans-57.8128.7-177.3-76.2-173.7175.9174.60111.9F69 Q70 L77 R85 D146 W150F69-K73 WeakPolarHBondContact O-CG 3.04Å; F69-K73 PolarHBondContact O-N 2.86Å; Q70-K73 PolarHBondContact O-N 3.15Å; Q70-K73 VanDerWaalsContact OE1-CE 3.23Å; K73-L77 HydrophobicContact CB-CD2 3.69Å; K73-R85 PolarHBondContact O-NH1 3.24Å; K73-R85 PolarHBondContact O-NH2 3.08Å; K73-D146 IonicContact NZ-OD1 2.65Å; K73-D146 PolarHBondContact NZ-OD1 3.46Å; K73-D146 IonicContact NZ-OD2 2.78Å; K73-D146 PolarHBondContact NZ-OD2 3.36Å; K73-W150 HydrophobicContact CB-CZ2 4.46Å; K73-W150 HydrophobicContact CD-CD2 3.65Å; K73-W150 HydrophobicContact CD-CE3 4.03Å; K73-W150 HydrophobicContact CD-CG 3.96Å; K73-W150 HydrophobicContact CD-CZ2 4.16Å; K73-W150 HydrophobicContact CD-CZ3 4.44Å; K73-W150 HydrophobicContact CG-CD2 4.05Å; K73-W150 HydrophobicContact CG-CG 3.96Å
74A98.4Very high96.6Very high0 Ų044.3 Ų44.30%022%0.224CC..  trans-96.8161.216300000110.4Q72 A89 S101 G103 Y105 W150Q72-A74 PolarHBondContact O-N 2.87Å; A74-A89 HydrophobicContact CB-CB 4.36Å; A74-S101 CarbonylContact C-O 3.57Å; A74-G103 PolarHBondContact N-O 3.32Å; A74-Y105 HydrophobicContact CB-CD1 4.31Å; A74-Y105 HydrophobicContact CB-CD2 4.3Å; A74-Y105 HydrophobicContact CB-CE1 3.76Å; A74-Y105 HydrophobicContact CB-CE2 3.72Å; A74-Y105 VanDerWaalsContact CB-CZ 3.42Å; A74-W150 WeakPolarHBondContact O-CZ2 3.45Å; A74-W150 PolarHBondContact O-NE1 3.26Å
75G98.4Very high96.5Very high0 Ų044 Ų440%022%0.22CC..BIsolated β-bridgetrans102-161.2177.300000112.6L77 D87 S88 S101G75-L77 PolarHBondContact O-N 3.27Å; G75-D87 WeakPolarHBondContact O-CA 3.42Å; G75-S88 CarbonylContact C-O 3.51Å; G75-S88 WeakPolarHBondContact CA-O 3.49Å; G75-S88 PolarHBondContact N-O 3.41Å; G75-S88 PolarHBondContact O-N 3.12Å; G75-S101 WeakPolarHBondContact CA-O 3.46Å; G75-S101 PolarHBondContact N-O 3.04Å
76K98.2Very high96.4Very high138 Ų13845 Ų4560%0.623%0.231SC*.SBendtrans-79.9113.7174.2-179.8173.5-176.9176.30109.5D87 L90 W150K76-D87 WeakPolarHBondContact CA-OD1 3.24Å; K76-L90 HydrophobicContact CB-CD2 3.95Å; K76-W150 VanDerWaalsContact O-CH2 3.31Å; K76-W150 WeakPolarHBondContact O-CH2 3.24Å
77L97.4Very high96.4Very high24 Ų2448.2 Ų48.213%0.12625%0.248CC..  trans-77.5127.7-173.2-54.8-174000111.3K73 G75 N80 R85 G86 D87K73-L77 HydrophobicContact CB-CD2 3.69Å; G75-L77 PolarHBondContact O-N 3.27Å; L77-N80 HydrophobicContact CB-CB 3.96Å; L77-N80 HydrophobicContact CD1-CB 4.38Å; L77-R85 HydrophobicContact CD1-CB 3.85Å; L77-G86 VanDerWaalsContact CD1-O 3.32Å; L77-G86 WeakPolarHBondContact CD1-O 3.44Å; L77-D87 PolarHBondContact N-OD1 3.16Å
78E93.5Very high96.4Very high112 Ų11245.4 Ų45.452%0.52324%0.235SC..SBendtrans-103.7134.4178.5-63.3176.7-174.100109.9N80E78-N80 PolarHBondContact O-N 3.36Å; E78-N80 VanDerWaalsContact O-N 3.1Å
79N91.7Very high96.3Very high155 Ų15546 Ų4683%0.82924%0.241SC*.SBendtrans4937-178.7-58.3-43.4000113.6Q81N79-Q81 PolarHBondContact O-N 2.68Å
80N92.8Very high96.3Very high57 Ų5750.1 Ų50.131%0.30526%0.262SS..  trans-57.7120.9-172.6-178.827.3000112L77 E78 I82 R85L77-N80 HydrophobicContact CB-CB 3.96Å; L77-N80 HydrophobicContact CD1-CB 4.38Å; E78-N80 PolarHBondContact O-N 3.36Å; E78-N80 VanDerWaalsContact O-N 3.1Å; N80-I82 PolarHBondContact ND2-O 2.74Å; N80-I82 PolarHBondContact OD1-N 3.31Å; N80-I82 PolarHBondContact OD1-O 2.89Å; N80-R85 PolarHBondContact ND2-O 3.32Å
81Q90.3Very high96.3Very high155 Ų15553.5 Ų53.572%0.72428%0.281SS*.  trans-97.5-6.6177.5-62.3-175.1-5.400113.1N79 P83N79-Q81 PolarHBondContact O-N 2.68Å; Q81-P83 VanDerWaalsContact O-CD 3.31Å; Q81-P83 WeakPolarHBondContact O-CD 3.14Å
82I94.8Very high96.4Very high7 Ų753.8 Ų53.84%0.03628%0.283CS..  trans-98102.3-178.6-51.5-58.7000108.9Q70 V71 N80 W84 R85Q70-I82 HydrophobicContact CB-CD1 4.43Å; Q70-I82 HydrophobicContact CB-CG1 3.87Å; V71-I82 HydrophobicContact CG2-CD1 4.14Å; V71-I82 HydrophobicContact CG2-CG1 4.15Å; V71-I82 HydrophobicContact CG2-CG2 4.29Å; N80-I82 PolarHBondContact ND2-O 2.74Å; N80-I82 PolarHBondContact OD1-N 3.31Å; N80-I82 PolarHBondContact OD1-O 2.89Å; I82-W84 HydrophobicContact CG2-CD2 3.74Å; I82-W84 HydrophobicContact CG2-CE3 4.47Å; I82-W84 HydrophobicContact CG2-CG 4.07Å; I82-W84 HydrophobicContact CG2-CH2 4.45Å; I82-W84 HydrophobicContact CG2-CZ2 3.67Å; I82-W84 VanDerWaalsContact CG2-NE1 3.32Å; I82-W84 PolarHBondContact O-N 3.21Å; I82-W84 VanDerWaalsContact O-N 3.11Å; I82-R85 HydrophobicContact CB-CB 4.06Å; I82-R85 HydrophobicContact CB-CG 3.92Å; I82-R85 HydrophobicContact CG2-CB 4.07Å; I82-R85 HydrophobicContact CG2-CG 3.54Å; I82-R85 PolarHBondContact O-N 3.42Å
83P94Very high96.4Very high127 Ų12753.7 Ų53.783%0.82528%0.283SS*.THydrogen-bonded Turntrans-65.2-23.4-165.7-23.835.4000115.1Q81Q81-P83 VanDerWaalsContact O-CD 3.31Å; Q81-P83 WeakPolarHBondContact O-CD 3.14Å
84W96.5Very high96.4Very high30 Ų3059.8 Ų59.811%0.11431%0.309CS..THydrogen-bonded Turntrans-91.5-5.6-179.354.4-99.3000113.4V71 I82 A454 N474 V475V71-W84 HydrophobicContact CB-CH2 4.43Å; V71-W84 HydrophobicContact CG1-CH2 3.55Å; V71-W84 HydrophobicContact CG1-CZ2 4.05Å; V71-W84 HydrophobicContact CG2-CH2 4.23Å; V71-W84 HydrophobicContact CG2-CZ2 3.91Å; I82-W84 HydrophobicContact CG2-CD2 3.74Å; I82-W84 HydrophobicContact CG2-CE3 4.47Å; I82-W84 HydrophobicContact CG2-CG 4.07Å; I82-W84 HydrophobicContact CG2-CH2 4.45Å; I82-W84 HydrophobicContact CG2-CZ2 3.67Å; I82-W84 VanDerWaalsContact CG2-NE1 3.32Å; I82-W84 PolarHBondContact O-N 3.21Å; I82-W84 VanDerWaalsContact O-N 3.11Å; W84-A454 HydrophobicContact CB-CB 3.81Å; W84-N474 HydrophobicContact CB-CB 4.14Å; W84-N474 WeakPolarHBondContact CB-OD1 3.29Å; W84-N474 HydrophobicContact CD2-CB 3.53Å; W84-N474 HydrophobicContact CE3-CB 4.03Å; W84-N474 HydrophobicContact CG-CB 3.56Å; W84-N474 HydrophobicContact CZ2-CB 4.32Å; W84-V475 WeakPolarHBondContact CZ2-O 3.35Å; W84-V475 PolarHBondContact NE1-O 3.32Å
85R97.2Very high96.2Very high14 Ų1465.6 Ų65.65%0.05335%0.347CS..  trans-92.6151.2174.7-74-59.4-43.5-67.2-6.6111.5Q70 V71 K73 L77 N80 I82 E183Q70-R85 PolarHBondContact O-NH1 3.13Å; V71-R85 VanDerWaalsContact C-NH1 3.33Å; V71-R85 PolarHBondContact O-NH1 2.65Å; K73-R85 PolarHBondContact O-NH1 3.24Å; K73-R85 PolarHBondContact O-NH2 3.08Å; L77-R85 HydrophobicContact CD1-CB 3.85Å; N80-R85 PolarHBondContact ND2-O 3.32Å; I82-R85 HydrophobicContact CB-CB 4.06Å; I82-R85 HydrophobicContact CB-CG 3.92Å; I82-R85 HydrophobicContact CG2-CB 4.07Å; I82-R85 HydrophobicContact CG2-CG 3.54Å; I82-R85 PolarHBondContact O-N 3.42Å; R85-E183 IonicContact CZ-OE1 3.62Å; R85-E183 IonicContact NE-OE1 2.81Å; R85-E183 PolarHBondContact NE-OE1 2.77Å; R85-E183 IonicContact NH2-OE1 3.54Å
86G96.8Very high96.2Very high21 Ų2167.6 Ų67.622%0.21636%0.363CS..  trans-148.3-175.117300000113L77 E183L77-G86 VanDerWaalsContact CD1-O 3.32Å; L77-G86 WeakPolarHBondContact CD1-O 3.44Å; G86-E183 PolarHBondContact N-OE1 2.95Å
87D97.7Very high96.2Very high73 Ų7364.3 Ų64.339%0.3937%0.369SS..  trans-60.8137.6178.7-66.1-10.4000111.1G75 K76 L77 L90G75-D87 WeakPolarHBondContact O-CA 3.42Å; K76-D87 WeakPolarHBondContact CA-OD1 3.24Å; L77-D87 PolarHBondContact N-OD1 3.16Å; D87-L90 HydrophobicContact CB-CD1 4.3Å; D87-L90 HydrophobicContact CB-CD2 4.35Å
88S97.8Very high96.3Very high6 Ų665 Ų654%0.04237%0.372CS..BIsolated β-bridgetrans-152.8158.6-177.254.30000111.4G75 L90 Y105 P182G75-S88 CarbonylContact C-O 3.51Å; G75-S88 WeakPolarHBondContact CA-O 3.49Å; G75-S88 PolarHBondContact N-O 3.41Å; G75-S88 PolarHBondContact O-N 3.12Å; S88-L90 PolarHBondContact O-N 3.46Å; S88-L90 VanDerWaalsContact O-N 3.12Å; S88-Y105 WeakPolarHBondContact CB-OH 3.46Å; S88-Y105 PolarHBondContact OG-OH 3.12Å; S88-P182 VanDerWaalsContact CB-C 3.48Å; S88-P182 WeakPolarHBondContact CB-O 3.25Å
89A97.8Very high96.5Very high14 Ų1463.8 Ų63.812%0.11637%0.369CS..  trans55.131.2174.500000115.4A74 D91 D92 S101 Y105 M185A74-A89 HydrophobicContact CB-CB 4.36Å; A89-D91 PolarHBondContact O-N 3.02Å; A89-D91 VanDerWaalsContact O-N 3.12Å; A89-D92 WeakPolarHBondContact CB-OD2 3.17Å; A89-D92 WeakPolarHBondContact O-CB 2.93Å; A89-D92 PolarHBondContact O-N 2.61Å; A89-S101 WeakPolarHBondContact O-CA 3.47Å; A89-S101 WeakPolarHBondContact O-CB 3.42Å; A89-Y105 HydrophobicContact CB-CE1 4.46Å; A89-Y105 VanDerWaalsContact CB-OH 3.31Å; A89-Y105 WeakPolarHBondContact CB-OH 3.02Å; A89-M185 HydrophobicContact CB-CE 3.93Å
90L98Very high96.8Very high85 Ų8556.4 Ų56.445%0.44533%0.33SS..THydrogen-bonded Turntrans-66-14.9-175.4-59.7-178.7000114.4K76 D87 S88K76-L90 HydrophobicContact CB-CD2 3.95Å; D87-L90 HydrophobicContact CB-CD1 4.3Å; D87-L90 HydrophobicContact CB-CD2 4.35Å; S88-L90 PolarHBondContact O-N 3.46Å; S88-L90 VanDerWaalsContact O-N 3.12Å
91D97.7Very high97.1Very high100 Ų10054.3 Ų54.354%0.53532%0.32SS..THydrogen-bonded Turntrans-102.7-1.4-179-67.3-19.1000113.2A89 G93 K94A89-D91 PolarHBondContact O-N 3.02Å; A89-D91 VanDerWaalsContact O-N 3.12Å; D91-G93 PolarHBondContact O-N 2.92Å; D91-K94 HydrophobicContact CB-CD 3.97Å; D91-K94 WeakPolarHBondContact O-CB 3.43Å; D91-K94 WeakPolarHBondContact O-CG 3.42Å; D91-K94 PolarHBondContact O-N 2.87Å; D91-K94 VanDerWaalsContact O-N 3.15Å; D91-K94 VanDerWaalsContact OD1-CE 3.22Å; D91-K94 WeakPolarHBondContact OD1-CE 3.31Å; D91-K94 IonicContact OD1-NZ 3.27Å; D91-K94 PolarHBondContact OD1-NZ 2.62Å
92D98.6Very high97.5Very high7 Ų749.2 Ų49.24%0.03730%0.295CS..THydrogen-bonded Turntrans-59129.1178.8-798.2000110.1A89 L100 K112 V169 R189A89-D92 WeakPolarHBondContact CB-OD2 3.17Å; A89-D92 WeakPolarHBondContact O-CB 2.93Å; A89-D92 PolarHBondContact O-N 2.61Å; D92-L100 HydrophobicContact CB-CB 4.25Å; D92-L100 VanDerWaalsContact CB-O 3.31Å; D92-L100 WeakPolarHBondContact CB-O 3.41Å; D92-L100 CarbonylContact O-C 3.53Å; D92-L100 WeakPolarHBondContact O-CA 3.37Å; D92-L100 PolarHBondContact O-N 3.17Å; D92-K112 WeakPolarHBondContact OD2-CE 3.35Å; D92-K112 IonicContact OD2-NZ 3.79Å; D92-K112 PolarHBondContact OD2-NZ 3.23Å; D92-V169 HydrophobicContact CB-CG1 3.85Å; D92-V169 WeakPolarHBondContact OD2-CG1 3.28Å; D92-R189 WeakPolarHBondContact OD1-CD 3.36Å; D92-R189 IonicContact OD1-CZ 3.5Å; D92-R189 IonicContact OD1-NE 3.81Å; D92-R189 PolarHBondContact OD1-NE 3.36Å; D92-R189 IonicContact OD1-NH2 3.31Å; D92-R189 IonicContact OD2-CZ 2.79Å; D92-R189 IonicContact OD2-NE 3.79Å; D92-R189 PolarHBondContact OD2-NE 3.49Å; D92-R189 IonicContact OD2-NH2 2.84Å; D92-R189 PolarHBondContact OD2-NH2 3.13Å
93G98.4Very high97.6Very high1 Ų148.9 Ų48.91%0.0129%0.293CS..THydrogen-bonded Turntrans94.5-22-178.300000115.2D91 P95 A96 G97 L98D91-G93 PolarHBondContact O-N 2.92Å; G93-P95 VanDerWaalsContact C-CD 3.5Å; G93-A96 PolarHBondContact O-N 3.14Å; G93-G97 PolarHBondContact O-N 2.9Å; G93-L98 CarbonylContact C-O 3.21Å; G93-L98 WeakPolarHBondContact CA-O 3.39Å; G93-L98 PolarHBondContact O-N 3.22Å; G93-L98 VanDerWaalsContact O-N 3.1Å
94K97.7Very high97.9Very high130 Ų13042.9 Ų42.957%0.56525%0.254SS*.G310 helixtrans-54.7-41.8-174.3-73-175.1178.3179.20115D91 A96 G97 L98D91-K94 HydrophobicContact CB-CD 3.97Å; D91-K94 WeakPolarHBondContact O-CB 3.43Å; D91-K94 WeakPolarHBondContact O-CG 3.42Å; D91-K94 PolarHBondContact O-N 2.87Å; D91-K94 VanDerWaalsContact O-N 3.15Å; D91-K94 VanDerWaalsContact OD1-CE 3.22Å; D91-K94 WeakPolarHBondContact OD1-CE 3.31Å; D91-K94 IonicContact OD1-NZ 3.27Å; D91-K94 PolarHBondContact OD1-NZ 2.62Å; K94-A96 PolarHBondContact O-N 3.37Å; K94-A96 VanDerWaalsContact O-N 3.14Å; K94-G97 PolarHBondContact O-N 2.71Å; K94-L98 PolarHBondContact N-O 3.32Å
95P95.9Very high97.9Very high122 Ų12241.7 Ų41.779%0.79225%0.25SC*.G310 helixtrans-60.5-22.5177.6-25.636.2000114.5G93G93-P95 VanDerWaalsContact C-CD 3.5Å
96A97.6Very high98Very high41 Ų4141.7 Ų41.734%0.33925%0.251SS..G310 helixtrans-981.7175.500000113.4G93 K94 L98 Y166 L191G93-A96 PolarHBondContact O-N 3.14Å; K94-A96 PolarHBondContact O-N 3.37Å; K94-A96 VanDerWaalsContact O-N 3.14Å; A96-L98 VanDerWaalsContact C-N 3.3Å; A96-L98 HydrophobicContact CB-CD1 4.17Å; A96-L98 HydrophobicContact CB-CG 4.15Å; A96-Y166 HydrophobicContact CB-CE1 4.15Å; A96-Y166 VanDerWaalsContact CB-OH 3.27Å; A96-Y166 WeakPolarHBondContact CB-OH 3.32Å; A96-L191 HydrophobicContact CB-CD1 3.6Å
97G98.2Very high98Very high70 Ų7040.8 Ų40.872%0.72224%0.242SC*.THydrogen-bonded Turntrans70.624.8-173.400000113.8G93 K94G93-G97 PolarHBondContact O-N 2.9Å; K94-G97 PolarHBondContact O-N 2.71Å
98L98.5Very high98Very high37 Ų3737.4 Ų37.419%0.19422%0.224CC..  trans-113.9162.2179.9-58177000111.2G93 K94 A96 L100 P160 Y166G93-L98 CarbonylContact C-O 3.21Å; G93-L98 WeakPolarHBondContact CA-O 3.39Å; G93-L98 PolarHBondContact O-N 3.22Å; G93-L98 VanDerWaalsContact O-N 3.1Å; K94-L98 PolarHBondContact N-O 3.32Å; A96-L98 VanDerWaalsContact C-N 3.3Å; A96-L98 HydrophobicContact CB-CD1 4.17Å; A96-L98 HydrophobicContact CB-CG 4.15Å; L98-L100 HydrophobicContact CB-CD2 4.47Å; L98-L100 HydrophobicContact CB-CG 4.15Å; L98-L100 HydrophobicContact CD1-CD1 4.5Å; L98-P160 HydrophobicContact CD1-CB 4.38Å; L98-P160 HydrophobicContact CD1-CG 4.09Å; L98-P160 HydrophobicContact CD2-CB 3.77Å; L98-P160 HydrophobicContact CD2-CG 4.36Å; L98-Y166 HydrophobicContact CD1-CD2 3.59Å; L98-Y166 HydrophobicContact CD1-CE2 3.3Å; L98-Y166 HydrophobicContact CD1-CG 4.36Å
99D98.5Very high97.9Very high87 Ų8737.5 Ų37.547%0.46522%0.224SC..  trans-106.398.8165.8-179.22.7000109.4S101 N157D99-S101 WeakPolarHBondContact OD1-CB 2.96Å; D99-S101 PolarHBondContact OD1-N 3.16Å; D99-S101 PolarHBondContact OD1-OG 3.25Å; D99-N157 WeakPolarHBondContact O-CB 3.49Å; D99-N157 PolarHBondContact O-ND2 2.99Å
100L98.7Very high97.9Very high0 Ų037 Ų370%022%0.219CC..  trans-108.723.8175.1-57-179.7000110.9D92 L98 K112 F154 N157 A158 Y166 V169 L191D92-L100 HydrophobicContact CB-CB 4.25Å; D92-L100 VanDerWaalsContact CB-O 3.31Å; D92-L100 WeakPolarHBondContact CB-O 3.41Å; D92-L100 CarbonylContact O-C 3.53Å; D92-L100 WeakPolarHBondContact O-CA 3.37Å; D92-L100 PolarHBondContact O-N 3.17Å; L98-L100 HydrophobicContact CB-CD2 4.47Å; L98-L100 HydrophobicContact CB-CG 4.15Å; L98-L100 HydrophobicContact CD1-CD1 4.5Å; L100-K112 PolarHBondContact O-NZ 2.96Å; L100-F154 HydrophobicContact CB-CD2 4.42Å; L100-F154 HydrophobicContact CB-CE2 4.04Å; L100-F154 HydrophobicContact CD2-CE2 4.41Å; L100-N157 HydrophobicContact CD2-CB 3.97Å; L100-A158 HydrophobicContact CD2-CB 4.04Å; L100-Y166 HydrophobicContact CD1-CD1 4.35Å; L100-Y166 HydrophobicContact CD1-CG 4.18Å; L100-V169 HydrophobicContact CB-CG2 4.28Å; L100-V169 HydrophobicContact CD1-CG2 4.06Å; L100-L191 HydrophobicContact CD1-CD1 4.43Å; L100-L191 HydrophobicContact CD1-CD2 3.89Å
101S98.3Very high97.9Very high13 Ų1333 Ų339%0.09120%0.198CC..  trans-67.9-36.5-176.165.80000113.2A74 G75 A89 D99 K112A74-S101 CarbonylContact C-O 3.57Å; G75-S101 WeakPolarHBondContact CA-O 3.46Å; G75-S101 PolarHBondContact N-O 3.04Å; A89-S101 WeakPolarHBondContact O-CA 3.47Å; A89-S101 WeakPolarHBondContact O-CB 3.42Å; D99-S101 WeakPolarHBondContact OD1-CB 2.96Å; D99-S101 PolarHBondContact OD1-N 3.16Å; D99-S101 PolarHBondContact OD1-OG 3.25Å; S101-K112 PolarHBondContact O-NZ 3.15Å
102K98.3Very high97.9Very high48 Ų4828.2 Ų28.221%0.20917%0.173CC..  trans-67.4-165.8172.8-66.6-164.1-178.2-1700112.4K112 W150 D153 F154K102-K112 WeakPolarHBondContact O-CE 3.27Å; K102-K112 PolarHBondContact O-NZ 3.06Å; K102-W150 HydrophobicContact CB-CZ2 4.44Å; K102-W150 HydrophobicContact CD-CD2 4.31Å; K102-W150 HydrophobicContact CD-CE3 4.4Å; K102-W150 HydrophobicContact CD-CH2 4.38Å; K102-W150 HydrophobicContact CD-CZ2 4.32Å; K102-W150 HydrophobicContact CD-CZ3 4.43Å; K102-W150 HydrophobicContact CG-CH2 4.36Å; K102-W150 HydrophobicContact CG-CZ2 3.95Å; K102-D153 HydrophobicContact CD-CB 3.86Å; K102-D153 IonicContact NZ-OD2 3.62Å; K102-D153 PolarHBondContact NZ-OD2 2.8Å; K102-F154 HydrophobicContact CB-CB 4.41Å; K102-F154 WeakPolarHBondContact O-CD2 3.42Å
103G98.3Very high97.9Very high0 Ų028.2 Ų28.20%017%0.172CC..SBendtrans91.3-173.4-175.400000111.4A74 W150A74-G103 PolarHBondContact N-O 3.32Å; G103-W150 VanDerWaalsContact O-CD1 3.28Å; G103-W150 PolarHBondContact O-NE1 3.22Å; G103-W150 VanDerWaalsContact O-NE1 3.1Å
104M98.6Very high97.9Very high1 Ų128.2 Ų28.21%0.00517%0.172CC..BIsolated β-bridgetrans-119.1144.7-179.5-69.3-179.1-178.700110.4F69 Q72 M117 A147 I151 T504F69-M104 HydrophobicContact CB-CE 3.62Å; F69-M104 HydrophobicContact CB-SD 4.5Å; F69-M104 HydrophobicContact CD1-CE 3.76Å; F69-M104 HydrophobicContact CD1-SD 3.81Å; F69-M104 HydrophobicContact CG-CE 4.07Å; Q72-M104 HydrophobicContact CB-CB 4.03Å; Q72-M104 HydrophobicContact CB-CG 4.16Å; Q72-M104 HydrophobicContact CB-SD 4.42Å; Q72-M104 CarbonylContact O-C 3.48Å; Q72-M104 VanDerWaalsContact O-CA 3.31Å; Q72-M104 WeakPolarHBondContact O-CA 3.26Å; M104-M117 HydrophobicContact CB-CG 4.43Å; M104-M117 HydrophobicContact CB-SD 4.43Å; M104-M117 PolarHBondContact N-SD 3.17Å; M104-M117 WeakPolarHBondContact O-CE 3.48Å; M104-A147 HydrophobicContact CE-CB 4.29Å; M104-I151 HydrophobicContact CE-CD1 3.77Å; M104-I151 HydrophobicContact CE-CG1 3.64Å; M104-I151 HydrophobicContact CG-CG1 4.17Å; M104-I151 HydrophobicContact SD-CD1 3.73Å; M104-I151 HydrophobicContact SD-CG1 3.74Å; M104-T504 HydrophobicContact CB-CG2 4.22Å; M104-T504 HydrophobicContact SD-CG2 3.86Å
105Y98.5Very high98Very high5 Ų522.5 Ų22.52%0.0215%0.147CC..  trans-68.7149.2167.5-62.8-57.9000110.8Q72 A74 S88 A89 D109 H110 I111 K112 P182 M185Q72-Y105 PolarHBondContact NE2-O 3.5Å; Q72-Y105 WeakPolarHBondContact O-CD2 3.49Å; Q72-Y105 PolarHBondContact O-N 3.5Å; A74-Y105 HydrophobicContact CB-CD1 4.31Å; A74-Y105 HydrophobicContact CB-CD2 4.3Å; A74-Y105 HydrophobicContact CB-CE1 3.76Å; A74-Y105 HydrophobicContact CB-CE2 3.72Å; A74-Y105 VanDerWaalsContact CB-CZ 3.42Å; S88-Y105 WeakPolarHBondContact CB-OH 3.46Å; S88-Y105 PolarHBondContact OG-OH 3.12Å; A89-Y105 HydrophobicContact CB-CE1 4.46Å; A89-Y105 VanDerWaalsContact CB-OH 3.31Å; A89-Y105 WeakPolarHBondContact CB-OH 3.02Å; Y105-D109 WeakPolarHBondContact CB-O 3.45Å; Y105-H110 VanDerWaalsContact CD1-C 3.48Å; Y105-H110 VanDerWaalsContact CD1-CA 3.42Å; Y105-H110 HydrophobicContact CD1-CB 3.83Å; Y105-H110 VanDerWaalsContact CD1-O 3.26Å; Y105-H110 WeakPolarHBondContact CD1-O 3.47Å; Y105-H110 HydrophobicContact CE1-CB 3.89Å; Y105-H110 WeakPolarHBondContact CE1-O 3.39Å; Y105-H110 HydrophobicContact CG-CB 4.47Å; Y105-I111 CarbonylContact C-O 3.5Å; Y105-I111 WeakPolarHBondContact CA-O 3.45Å; Y105-K112 HydrophobicContact CD1-CG 4.41Å; Y105-P182 HydrophobicContact CD2-CB 4.23Å; Y105-P182 HydrophobicContact CE2-CB 3.49Å; Y105-P182 VanDerWaalsContact CE2-CB 3.49Å; Y105-P182 HydrophobicContact CE2-CG 4.31Å; Y105-M185 HydrophobicContact CE1-CE 3.84Å; Y105-M185 WeakPolarHBondContact OH-CE 3.09Å
106D98.1Very high98.1Very high14 Ų1416.7 Ų16.78%0.07511%0.109CC..  trans-79.7127.6175.5-169.939.5000110.5G108 D109 I111 F113 Y258D106-G108 PolarHBondContact O-N 2.96Å; D106-D109 PolarHBondContact O-N 2.85Å; D106-D109 VanDerWaalsContact O-OD1 3.08Å; D106-I111 PolarHBondContact N-O 3.04Å; D106-F113 HydrophobicContact CB-CD2 3.77Å; D106-F113 WeakPolarHBondContact OD2-CD2 3.31Å; D106-Y258 PolarHBondContact OD1-OH 3.48Å; D106-Y258 VanDerWaalsContact OD2-CE2 3.26Å; D106-Y258 WeakPolarHBondContact OD2-CE2 3.45Å; D106-Y258 PolarHBondContact OD2-OH 2.79Å
107A96.8Very high98.1Very high3 Ų314.9 Ų14.93%0.0259%0.094CC..THydrogen-bonded Turntrans42.2-117174.100000115.7Q72 E501 S502Q72-A107 PolarHBondContact NE2-O 3.44Å; A107-E501 HydrophobicContact CB-CG 3.69Å; A107-S502 CarbonylContact C-O 3.57Å; A107-S502 VanDerWaalsContact C-O 3.27Å; A107-S502 WeakPolarHBondContact CA-O 3.34Å; A107-S502 WeakPolarHBondContact CB-O 3.39Å
108G96.8Very high98.2Very high1 Ų111.6 Ų11.61%0.016%0.06CC..THydrogen-bonded Turntrans-95.62.8176.500000115.3D106 H446 R448 E501D106-G108 PolarHBondContact O-N 2.96Å; G108-H446 WeakPolarHBondContact CA-O 3.12Å; G108-R448 WeakPolarHBondContact O-CG 3.39Å; G108-R448 PolarHBondContact O-N 2.91Å; G108-R448 VanDerWaalsContact O-N 3.14Å; G108-R448 PolarHBondContact O-NH1 3.01Å; G108-E501 PolarHBondContact N-OE1 3.03Å; G108-E501 VanDerWaalsContact N-OE1 3.16Å
109D96.7Very high98.2Very high9 Ų99.8 Ų9.85%0.0485%0.051CC..SBendtrans-106.3-172.9-173.385.126.3000113Y105 D106 I111 D175 H176Y105-D109 WeakPolarHBondContact CB-O 3.45Å; D106-D109 PolarHBondContact O-N 2.85Å; D106-D109 VanDerWaalsContact O-OD1 3.08Å; D109-I111 WeakPolarHBondContact OD1-CB 3.34Å; D109-I111 PolarHBondContact OD1-N 3.5Å; D109-D175 WeakPolarHBondContact CB-OD1 3.42Å; D109-H176 IonicContact OD2-CD2 2.72Å; D109-H176 IonicContact OD2-CE1 2.73Å; D109-H176 IonicContact OD2-NE2 3.87Å; D109-H176 PolarHBondContact OD2-NE2 3.16Å
110H97.1Very high98.2Very high4 Ų45.7 Ų5.72%0.0193%0.028CC..SBendtrans-11716.8177-40.8125.9000114.4Y105 D175 E180 P182 M185 R189 R448Y105-H110 VanDerWaalsContact CD1-C 3.48Å; Y105-H110 VanDerWaalsContact CD1-CA 3.42Å; Y105-H110 HydrophobicContact CD1-CB 3.83Å; Y105-H110 VanDerWaalsContact CD1-O 3.26Å; Y105-H110 WeakPolarHBondContact CD1-O 3.47Å; Y105-H110 HydrophobicContact CE1-CB 3.89Å; Y105-H110 WeakPolarHBondContact CE1-O 3.39Å; Y105-H110 HydrophobicContact CG-CB 4.47Å; H110-D175 VanDerWaalsContact CB-OD2 3.26Å; H110-D175 WeakPolarHBondContact CB-OD2 3.47Å; H110-D175 IonicContact CG-OD2 3.26Å; H110-D175 PolarHBondContact N-OD2 3.13Å; H110-D175 IonicContact ND1-OD2 3.6Å; H110-D175 PolarHBondContact ND1-OD2 2.86Å; H110-E180 PolarHBondContact CE1-O 3.06Å; H110-E180 PolarHBondContact NE2-O 3.47Å; H110-P182 VanDerWaalsContact NE2-CD 3.35Å; H110-P182 WeakPolarHBondContact NE2-CD 3.17Å; H110-M185 HydrophobicContact CB-CE 4.21Å; H110-M185 HydrophobicContact CB-CG 4.47Å; H110-M185 HydrophobicContact CB-SD 3.29Å; H110-M185 WeakPolarHBondContact CB-SD 3.02Å; H110-R189 VanDerWaalsContact O-CZ 3.32Å; H110-R189 PolarHBondContact O-NH1 3.44Å; H110-R189 PolarHBondContact O-NH2 3.38Å; H110-R448 WeakPolarHBondContact CE1-CD 3.41Å
111I98Very high98.2Very high0 Ų05.7 Ų5.70%03%0.028CC..  trans-75.7146.9172.2-52.1-58.7000108.8Y105 D106 D109 F113 Q168 P172 D175Y105-I111 CarbonylContact C-O 3.5Å; Y105-I111 WeakPolarHBondContact CA-O 3.45Å; D106-I111 PolarHBondContact N-O 3.04Å; D109-I111 WeakPolarHBondContact OD1-CB 3.34Å; D109-I111 PolarHBondContact OD1-N 3.5Å; I111-F113 HydrophobicContact CB-CD2 3.94Å; I111-F113 HydrophobicContact CB-CE2 3.68Å; I111-F113 HydrophobicContact CB-CZ 4.3Å; I111-F113 HydrophobicContact CG1-CE2 4.24Å; I111-F113 HydrophobicContact CG2-CD1 4.12Å; I111-F113 HydrophobicContact CG2-CD2 3.53Å; I111-F113 HydrophobicContact CG2-CE1 3.94Å; I111-F113 HydrophobicContact CG2-CE2 3.34Å; I111-F113 HydrophobicContact CG2-CG 3.95Å; I111-F113 HydrophobicContact CG2-CZ 3.58Å; I111-Q168 HydrophobicContact CG2-CG 3.86Å; I111-P172 HydrophobicContact CD1-CG 4.25Å; I111-P172 HydrophobicContact CG1-CB 4.43Å; I111-P172 HydrophobicContact CG1-CG 4.2Å; I111-P172 HydrophobicContact CG2-CG 4.44Å; I111-D175 HydrophobicContact CD1-CB 3.55Å; I111-D175 HydrophobicContact CG1-CB 4.13Å
112K98.7Very high98.3Very high0 Ų05 Ų50%02%0.024CC..EExtended strand (participates in β ladder)trans-107.194.6168.1-62.8172.8175.8166.10108.2D92 L100 S101 K102 Y105 M117 F154 Q168 V169D92-K112 WeakPolarHBondContact OD2-CE 3.35Å; D92-K112 IonicContact OD2-NZ 3.79Å; D92-K112 PolarHBondContact OD2-NZ 3.23Å; L100-K112 PolarHBondContact O-NZ 2.96Å; S101-K112 PolarHBondContact O-NZ 3.15Å; K102-K112 WeakPolarHBondContact O-CE 3.27Å; K102-K112 PolarHBondContact O-NZ 3.06Å; Y105-K112 HydrophobicContact CD1-CG 4.41Å; K112-M117 HydrophobicContact CB-CE 4Å; K112-F154 HydrophobicContact CB-CE2 4.45Å; K112-F154 HydrophobicContact CB-CZ 4.16Å; K112-F154 HydrophobicContact CD-CD2 4.48Å; K112-F154 HydrophobicContact CD-CE2 3.85Å; K112-F154 HydrophobicContact CD-CZ 4.39Å; K112-Q168 VanDerWaalsContact O-CA 3.29Å; K112-Q168 WeakPolarHBondContact O-CA 3.33Å; K112-V169 HydrophobicContact CB-CB 4.05Å; K112-V169 HydrophobicContact CB-CG2 4.36Å; K112-V169 HydrophobicContact CD-CB 4.12Å; K112-V169 HydrophobicContact CD-CG2 4.32Å; K112-V169 HydrophobicContact CG-CB 4.46Å; K112-V169 PolarHBondContact N-O 3.27Å; K112-V169 PolarHBondContact O-N 3.12Å; K112-V169 VanDerWaalsContact O-N 3.11Å
113F98.6Very high98.3Very high7 Ų72.8 Ų2.83%0.0311%0.014CC..EExtended strand (participates in β ladder)trans-88.1116.6171.1-70.1-72.8000109.8D106 I111 F115 P116 M117 Q168 P172 L254 Y257 Y258D106-F113 HydrophobicContact CB-CD2 3.77Å; D106-F113 WeakPolarHBondContact OD2-CD2 3.31Å; I111-F113 HydrophobicContact CB-CD2 3.94Å; I111-F113 HydrophobicContact CB-CE2 3.68Å; I111-F113 HydrophobicContact CB-CZ 4.3Å; I111-F113 HydrophobicContact CG1-CE2 4.24Å; I111-F113 HydrophobicContact CG2-CD1 4.12Å; I111-F113 HydrophobicContact CG2-CD2 3.53Å; I111-F113 HydrophobicContact CG2-CE1 3.94Å; I111-F113 HydrophobicContact CG2-CE2 3.34Å; I111-F113 HydrophobicContact CG2-CG 3.95Å; I111-F113 HydrophobicContact CG2-CZ 3.58Å; F113-F115 VanDerWaalsContact C-N 3.29Å; F113-F115 PolarHBondContact O-N 3.15Å; F113-P116 HydrophobicContact CB-CG 3.68Å; F113-P116 WeakPolarHBondContact O-CG 3.34Å; F113-M117 WeakPolarHBondContact O-CB 3.49Å; F113-M117 PolarHBondContact O-N 3.29Å; F113-Q168 HydrophobicContact CD1-CG 4.01Å; F113-Q168 HydrophobicContact CE1-CG 3.89Å; F113-Q168 VanDerWaalsContact CE1-OE1 3.28Å; F113-P172 HydrophobicContact CE1-CG 4.3Å; F113-P172 HydrophobicContact CZ-CG 3.65Å; F113-L254 HydrophobicContact CD1-CD2 4.34Å; F113-L254 HydrophobicContact CE1-CD2 3.82Å; F113-Y257 HydrophobicContact CZ-CD2 4.25Å; F113-Y257 HydrophobicContact CZ-CG 4.02Å; F113-Y258 HydrophobicContact CB-CD2 4.08Å; F113-Y258 HydrophobicContact CB-CE2 3.86Å; F113-Y258 AromaticContact CD1-CD2 3.94Å; F113-Y258 HydrophobicContact CD1-CD2 3.94Å; F113-Y258 HydrophobicContact CD1-CE2 4.29Å; F113-Y258 AromaticContact CD2-CD2 3.9Å; F113-Y258 HydrophobicContact CD2-CD2 3.9Å; F113-Y258 AromaticContact CD2-CE2 3.42Å; F113-Y258 HydrophobicContact CD2-CE2 3.42Å; F113-Y258 VanDerWaalsContact CD2-CE2 3.42Å; F113-Y258 HydrophobicContact CE1-CD2 4.26Å; F113-Y258 HydrophobicContact CE2-CD2 4.21Å; F113-Y258 AromaticContact CE2-CE2 3.89Å; F113-Y258 HydrophobicContact CE2-CE2 3.89Å; F113-Y258 AromaticContact CG-CD2 3.72Å; F113-Y258 HydrophobicContact CG-CD2 3.72Å; F113-Y258 AromaticContact CG-CE2 3.61Å; F113-Y258 HydrophobicContact CG-CE2 3.61Å; F113-Y258 HydrophobicContact CZ-CD2 4.37Å; F113-Y258 HydrophobicContact CZ-CE2 4.49Å
114S98.6Very high98.3Very high1 Ų12.8 Ų2.81%0.0071%0.014CC..Hα-helixtrans-65.8-29.8-178.1620000113.2M117 A118 I167 V203S114-M117 PolarHBondContact O-N 3.49Å; S114-A118 WeakPolarHBondContact O-CB 3.31Å; S114-A118 PolarHBondContact O-N 2.68Å; S114-I167 WeakPolarHBondContact CB-O 3.38Å; S114-I167 PolarHBondContact N-O 2.99Å; S114-I167 WeakPolarHBondContact OG-CA 3.21Å; S114-I167 PolarHBondContact OG-O 3.46Å; S114-V203 WeakPolarHBondContact OG-CG1 3.39Å
115F98.6Very high98.3Very high9 Ų92.7 Ų2.74%0.0391%0.014CC..Hα-helixtrans-65.8-60.1-174.4-168.3-157.2000113.4F113 M117 A118 F119 D202 V203 E206 E266 W306F113-F115 VanDerWaalsContact C-N 3.29Å; F113-F115 PolarHBondContact O-N 3.15Å; F115-M117 PolarHBondContact O-N 2.94Å; F115-A118 PolarHBondContact O-N 3.39Å; F115-F119 PolarHBondContact O-N 3.01Å; F115-F119 VanDerWaalsContact O-N 3.1Å; F115-D202 HydrophobicContact CE1-CB 4.45Å; F115-D202 HydrophobicContact CZ-CB 4.1Å; F115-V203 HydrophobicContact CB-CB 4.44Å; F115-V203 HydrophobicContact CB-CG1 3.96Å; F115-V203 HydrophobicContact CB-CG2 3.94Å; F115-V203 HydrophobicContact CD1-CG2 4.17Å; F115-V203 HydrophobicContact CD2-CG2 4.35Å; F115-V203 HydrophobicContact CG-CG2 3.93Å; F115-E206 HydrophobicContact CD2-CB 3.76Å; F115-E206 HydrophobicContact CD2-CG 3.98Å; F115-E206 HydrophobicContact CE2-CB 3.68Å; F115-E206 HydrophobicContact CE2-CG 4.09Å; F115-E266 HydrophobicContact CE2-CG 4.04Å; F115-E266 HydrophobicContact CZ-CG 4.27Å; F115-W306 AromaticContact CD1-CE3 3.82Å; F115-W306 HydrophobicContact CD1-CE3 3.82Å; F115-W306 AromaticContact CD1-CZ3 3.83Å; F115-W306 HydrophobicContact CD1-CZ3 3.83Å; F115-W306 AromaticContact CE1-CE3 3.67Å; F115-W306 HydrophobicContact CE1-CE3 3.67Å; F115-W306 AromaticContact CE1-CZ3 3.57Å; F115-W306 HydrophobicContact CE1-CZ3 3.57Å; F115-W306 HydrophobicContact CZ-CE3 4.32Å; F115-W306 WeakPolarHBondContact CZ-O 3.41Å
116P98.4Very high98.3Very high0 Ų02.5 Ų2.50%01%0.013CC..Hα-helixtrans-62-31.5173.327.9-39.8000113.1F113 F119 T120 Y258 Y505F113-P116 HydrophobicContact CB-CG 3.68Å; F113-P116 WeakPolarHBondContact O-CG 3.34Å; P116-F119 PolarHBondContact O-N 2.93Å; P116-T120 PolarHBondContact O-N 3.08Å; P116-T120 PolarHBondContact O-OG1 2.85Å; P116-Y258 HydrophobicContact CB-CE1 3.75Å; P116-Y258 HydrophobicContact CG-CD1 4.3Å; P116-Y258 HydrophobicContact CG-CD2 4.47Å; P116-Y258 HydrophobicContact CG-CE1 3.68Å; P116-Y258 HydrophobicContact CG-CE2 3.87Å; P116-Y258 VanDerWaalsContact CG-CZ 3.45Å; P116-Y505 HydrophobicContact CB-CD1 3.6Å; P116-Y505 HydrophobicContact CB-CE1 4.11Å; P116-Y505 HydrophobicContact CB-CG 4.5Å
117M98.8Very high98.3Very high4 Ų41.8 Ų1.82%0.021%0.009CC..Hα-helixtrans-69.6-42.5179.5-167.1-169.9-4600111.8M104 K112 F113 S114 F115 T120 A121 I151 F154M104-M117 HydrophobicContact CB-CG 4.43Å; M104-M117 HydrophobicContact CB-SD 4.43Å; M104-M117 PolarHBondContact N-SD 3.17Å; M104-M117 WeakPolarHBondContact O-CE 3.48Å; K112-M117 HydrophobicContact CB-CE 4Å; F113-M117 WeakPolarHBondContact O-CB 3.49Å; F113-M117 PolarHBondContact O-N 3.29Å; S114-M117 PolarHBondContact O-N 3.49Å; F115-M117 PolarHBondContact O-N 2.94Å; M117-T120 VanDerWaalsContact O-CB 3.29Å; M117-T120 WeakPolarHBondContact O-CB 3.26Å; M117-T120 PolarHBondContact O-N 3.29Å; M117-A121 PolarHBondContact O-N 3.31Å; M117-I151 HydrophobicContact CG-CG1 4.23Å; M117-I151 HydrophobicContact CG-CG2 3.68Å; M117-I151 HydrophobicContact SD-CG2 4.1Å; M117-F154 HydrophobicContact CE-CD1 4.22Å; M117-F154 HydrophobicContact CE-CE1 3.99Å; M117-F154 HydrophobicContact CE-CZ 4.48Å; M117-F154 HydrophobicContact SD-CD1 3.64Å; M117-F154 HydrophobicContact SD-CE1 3.98Å; M117-F154 HydrophobicContact SD-CG 4.33Å
118A98.9Very high98.4Very high0 Ų02.2 Ų2.20%01%0.011CC..Hα-helixtrans-63.9-43.3174.400000110.6S114 F115 T120 A121 T122 L155 E206 A207 A210S114-A118 WeakPolarHBondContact O-CB 3.31Å; S114-A118 PolarHBondContact O-N 2.68Å; F115-A118 PolarHBondContact O-N 3.39Å; A118-T120 VanDerWaalsContact C-N 3.29Å; A118-T120 PolarHBondContact O-N 2.98Å; A118-A121 WeakPolarHBondContact O-CA 3.42Å; A118-A121 WeakPolarHBondContact O-CB 3.43Å; A118-A121 PolarHBondContact O-N 2.9Å; A118-T122 PolarHBondContact O-N 3.43Å; A118-T122 PolarHBondContact O-OG1 2.86Å; A118-T122 VanDerWaalsContact O-OG1 3.06Å; A118-L155 HydrophobicContact CB-CD1 4.11Å; A118-L155 HydrophobicContact CB-CD2 4.21Å; A118-E206 HydrophobicContact CB-CB 4.47Å; A118-E206 HydrophobicContact CB-CG 3.74Å; A118-A207 HydrophobicContact CB-CB 4.36Å; A118-A210 HydrophobicContact CB-CB 4.07Å; A118-A210 WeakPolarHBondContact O-CB 3.5Å
119F98.9Very high98.5Very high0 Ų03.6 Ų3.60%02%0.018CC..Hα-helixtrans-55.9-43.1172178.3-101.5000112.9F115 P116 A121 T122 V123 E206 F304 S305 W306 K309F115-F119 PolarHBondContact O-N 3.01Å; F115-F119 VanDerWaalsContact O-N 3.1Å; P116-F119 PolarHBondContact O-N 2.93Å; F119-A121 VanDerWaalsContact C-N 3.33Å; F119-A121 PolarHBondContact O-N 3.02Å; F119-T122 PolarHBondContact O-N 3.29Å; F119-V123 HydrophobicContact CD1-CG1 4.47Å; F119-V123 HydrophobicContact CD2-CG1 4.3Å; F119-V123 HydrophobicContact CE1-CG1 3.96Å; F119-V123 HydrophobicContact CE2-CG1 3.79Å; F119-V123 HydrophobicContact CZ-CG1 3.61Å; F119-V123 WeakPolarHBondContact O-CG2 3.12Å; F119-V123 PolarHBondContact O-N 3.37Å; F119-E206 WeakPolarHBondContact CA-OE1 3.35Å; F119-E206 HydrophobicContact CB-CG 4.19Å; F119-E206 PolarHBondContact N-OE1 2.67Å; F119-F304 HydrophobicContact CE2-CE1 4.11Å; F119-F304 AromaticContact CE2-CE2 3.69Å; F119-F304 HydrophobicContact CE2-CE2 3.69Å; F119-F304 AromaticContact CE2-CZ 3.46Å; F119-F304 HydrophobicContact CE2-CZ 3.46Å; F119-F304 VanDerWaalsContact CE2-CZ 3.46Å; F119-F304 AromaticContact CZ-CE1 3.96Å; F119-F304 HydrophobicContact CZ-CE1 3.96Å; F119-F304 HydrophobicContact CZ-CE2 4.24Å; F119-F304 AromaticContact CZ-CZ 3.8Å; F119-F304 HydrophobicContact CZ-CZ 3.8Å; F119-S305 WeakPolarHBondContact CE2-O 3.31Å; F119-S305 WeakPolarHBondContact CZ-O 3.45Å; F119-W306 HydrophobicContact CB-CB 4.16Å; F119-W306 HydrophobicContact CD1-CB 3.88Å; F119-W306 HydrophobicContact CE1-CB 4.45Å; F119-W306 HydrophobicContact CG-CB 3.99Å; F119-K309 HydrophobicContact CD2-CD 4.34Å; F119-K309 HydrophobicContact CE2-CD 4.43Å
120T98.9Very high98.5Very high0 Ų03.4 Ų3.40%02%0.017CC..Hα-helixtrans-56.5-46.5173.7-570000111.5F69 P116 M117 A118 V123 L124 I151 T504 Y505F69-T120 HydrophobicContact CD1-CG2 4.43Å; F69-T120 HydrophobicContact CE1-CG2 3.67Å; F69-T120 HydrophobicContact CZ-CG2 4.49Å; P116-T120 PolarHBondContact O-N 3.08Å; P116-T120 PolarHBondContact O-OG1 2.85Å; M117-T120 VanDerWaalsContact O-CB 3.29Å; M117-T120 WeakPolarHBondContact O-CB 3.26Å; M117-T120 PolarHBondContact O-N 3.29Å; A118-T120 VanDerWaalsContact C-N 3.29Å; A118-T120 PolarHBondContact O-N 2.98Å; T120-V123 WeakPolarHBondContact O-CG2 3.35Å; T120-L124 HydrophobicContact CG2-CD1 4.06Å; T120-L124 HydrophobicContact CG2-CG 4.44Å; T120-L124 WeakPolarHBondContact O-CB 3.16Å; T120-L124 VanDerWaalsContact O-CG 3.29Å; T120-L124 WeakPolarHBondContact O-CG 3.44Å; T120-L124 PolarHBondContact O-N 3.46Å; T120-I151 HydrophobicContact CG2-CD1 3.87Å; T120-T504 VanDerWaalsContact OG1-C 3.28Å; T120-T504 PolarHBondContact OG1-OG1 3.28Å; T120-Y505 VanDerWaalsContact OG1-CA 3.28Å; T120-Y505 WeakPolarHBondContact OG1-CA 2.95Å; T120-Y505 PolarHBondContact OG1-N 3.3Å
121A99Very high98.5Very high0 Ų03.2 Ų3.20%02%0.016CC..Hα-helixtrans-64.8-37.9177.200000112.8M117 A118 F119 S125 L148 I151 T152 A210M117-A121 PolarHBondContact O-N 3.31Å; A118-A121 WeakPolarHBondContact O-CA 3.42Å; A118-A121 WeakPolarHBondContact O-CB 3.43Å; A118-A121 PolarHBondContact O-N 2.9Å; F119-A121 VanDerWaalsContact C-N 3.33Å; F119-A121 PolarHBondContact O-N 3.02Å; A121-S125 WeakPolarHBondContact O-CB 3.49Å; A121-S125 PolarHBondContact O-N 3.38Å; A121-S125 PolarHBondContact O-OG 2.8Å; A121-L148 HydrophobicContact CB-CD1 3.78Å; A121-L148 WeakPolarHBondContact O-CD1 3.41Å; A121-I151 HydrophobicContact CB-CB 4.14Å; A121-I151 HydrophobicContact CB-CD1 4.27Å; A121-I151 HydrophobicContact CB-CG2 3.6Å; A121-T152 HydrophobicContact CB-CG2 4.43Å; A121-A210 HydrophobicContact CB-CB 3.95Å
122T98.9Very high98.4Very high0 Ų03.8 Ų3.80%02%0.022CC..Hα-helixtrans-65.4-46.7177.6-47.60000111.4A118 F119 S125 W126 E206 A209 A210 W269 W273A118-T122 PolarHBondContact O-N 3.43Å; A118-T122 PolarHBondContact O-OG1 2.86Å; A118-T122 VanDerWaalsContact O-OG1 3.06Å; F119-T122 PolarHBondContact O-N 3.29Å; T122-S125 WeakPolarHBondContact O-CB 3.47Å; T122-S125 PolarHBondContact O-N 2.89Å; T122-W126 PolarHBondContact O-N 2.69Å; T122-E206 WeakPolarHBondContact CB-OE1 3.45Å; T122-E206 PolarHBondContact OG1-OE1 2.76Å; T122-A209 HydrophobicContact CG2-CB 4.17Å; T122-A210 WeakPolarHBondContact OG1-CA 3.24Å; T122-A210 WeakPolarHBondContact OG1-CB 3.5Å; T122-A210 PolarHBondContact OG1-N 3.32Å; T122-A210 VanDerWaalsContact OG1-N 3.15Å; T122-W269 HydrophobicContact CG2-CZ2 3.47Å; T122-W269 VanDerWaalsContact CG2-CZ2 3.47Å; T122-W273 HydrophobicContact CG2-CZ2 4.42Å; T122-W273 VanDerWaalsContact CG2-NE1 3.33Å
123V98.8Very high98.3Very high0 Ų06.7 Ų6.70%04%0.037CC..Hα-helixtrans-70-33.8178.3-600000112.7F119 T120 W126 S127 F304F119-V123 HydrophobicContact CD1-CG1 4.47Å; F119-V123 HydrophobicContact CD2-CG1 4.3Å; F119-V123 HydrophobicContact CE1-CG1 3.96Å; F119-V123 HydrophobicContact CE2-CG1 3.79Å; F119-V123 HydrophobicContact CZ-CG1 3.61Å; F119-V123 WeakPolarHBondContact O-CG2 3.12Å; F119-V123 PolarHBondContact O-N 3.37Å; T120-V123 WeakPolarHBondContact O-CG2 3.35Å; V123-W126 PolarHBondContact O-N 3.49Å; V123-S127 VanDerWaalsContact O-CB 3.31Å; V123-S127 WeakPolarHBondContact O-CB 3.44Å; V123-S127 PolarHBondContact O-N 3.42Å; V123-S127 PolarHBondContact O-OG 3.36Å; V123-F304 HydrophobicContact CG1-CE1 4.13Å; V123-F304 HydrophobicContact CG1-CZ 4.12Å
124L98.9Very high98.2Very high0 Ų06.3 Ų6.30%04%0.036CC..Hα-helixtrans-63.8-44171-77.7176.8000111.2F69 T120 S127 I128 A147 L148 I151 V511F69-L124 HydrophobicContact CE1-CD1 4.22Å; F69-L124 HydrophobicContact CE2-CD2 4.25Å; F69-L124 HydrophobicContact CZ-CD1 4.27Å; F69-L124 HydrophobicContact CZ-CD2 4.15Å; T120-L124 HydrophobicContact CG2-CD1 4.06Å; T120-L124 HydrophobicContact CG2-CG 4.44Å; T120-L124 WeakPolarHBondContact O-CB 3.16Å; T120-L124 VanDerWaalsContact O-CG 3.29Å; T120-L124 WeakPolarHBondContact O-CG 3.44Å; T120-L124 PolarHBondContact O-N 3.46Å; L124-S127 WeakPolarHBondContact O-CB 3.36Å; L124-S127 PolarHBondContact O-N 3.4Å; L124-I128 WeakPolarHBondContact O-CD1 3.47Å; L124-I128 VanDerWaalsContact O-CG1 3.28Å; L124-I128 WeakPolarHBondContact O-CG1 3.33Å; L124-I128 PolarHBondContact O-N 2.98Å; L124-A147 HydrophobicContact CD1-CB 4.23Å; L124-L148 HydrophobicContact CB-CD1 4.45Å; L124-I151 HydrophobicContact CD1-CD1 4.26Å; L124-V511 HydrophobicContact CD2-CB 4.18Å; L124-V511 HydrophobicContact CD2-CG1 3.91Å
125S98.9Very high98.2Very high0 Ų06.3 Ų6.30%04%0.036CC..Hα-helixtrans-59.4-49.4175.6-60.30000110.9A121 T122 S127 I128 L129 L148 S213 A214A121-S125 WeakPolarHBondContact O-CB 3.49Å; A121-S125 PolarHBondContact O-N 3.38Å; A121-S125 PolarHBondContact O-OG 2.8Å; T122-S125 WeakPolarHBondContact O-CB 3.47Å; T122-S125 PolarHBondContact O-N 2.89Å; S125-S127 VanDerWaalsContact C-N 3.3Å; S125-S127 PolarHBondContact O-N 2.81Å; S125-I128 PolarHBondContact O-N 3.26Å; S125-L129 VanDerWaalsContact O-CG 3.23Å; S125-L129 WeakPolarHBondContact O-CG 3.28Å; S125-L129 PolarHBondContact O-N 2.9Å; S125-L148 WeakPolarHBondContact OG-CD1 3.15Å; S125-S213 VanDerWaalsContact CB-CB 3.45Å; S125-S213 WeakPolarHBondContact CB-OG 3.46Å; S125-S213 PolarHBondContact OG-OG 3.43Å; S125-S213 VanDerWaalsContact OG-OG 3.13Å; S125-A214 WeakPolarHBondContact OG-CA 3.4Å; S125-A214 PolarHBondContact OG-N 2.8Å
126W98.7Very high98.1Very high0 Ų08.8 Ų8.80%05%0.054CC..Hα-helixtrans-57.5-45.8177.4-166.41.8000111.3T122 V123 I128 L129 E130 W269 W273 F304 G312 V315 L316 F383 L384 V387T122-W126 PolarHBondContact O-N 2.69Å; V123-W126 PolarHBondContact O-N 3.49Å; W126-I128 PolarHBondContact O-N 2.66Å; W126-L129 PolarHBondContact O-N 3.29Å; W126-E130 PolarHBondContact NE1-OE1 2.89Å; W126-E130 WeakPolarHBondContact O-CG 3.36Å; W126-E130 PolarHBondContact O-N 3.29Å; W126-W269 AromaticContact CE3-CH2 3.6Å; W126-W269 HydrophobicContact CE3-CH2 3.6Å; W126-W269 HydrophobicContact CE3-CZ2 4.37Å; W126-W269 HydrophobicContact CH2-CH2 4.37Å; W126-W269 AromaticContact CZ3-CH2 3.53Å; W126-W269 HydrophobicContact CZ3-CH2 3.53Å; W126-W269 HydrophobicContact CZ3-CZ3 4.16Å; W126-W273 HydrophobicContact CB-CH2 3.7Å; W126-W273 HydrophobicContact CB-CZ2 3.72Å; W126-W273 AromaticContact CD1-CH2 3.73Å; W126-W273 HydrophobicContact CD2-CH2 4.21Å; W126-W273 AromaticContact CD2-CZ2 3.93Å; W126-W273 HydrophobicContact CD2-CZ2 3.93Å; W126-W273 HydrophobicContact CE3-CZ2 4.27Å; W126-W273 AromaticContact CG-CH2 3.61Å; W126-W273 HydrophobicContact CG-CH2 3.61Å; W126-W273 AromaticContact CG-CZ2 3.7Å; W126-W273 HydrophobicContact CG-CZ2 3.7Å; W126-F304 HydrophobicContact CZ3-CE1 4.37Å; W126-F304 HydrophobicContact CZ3-CZ 4.32Å; W126-G312 WeakPolarHBondContact CH2-O 3.22Å; W126-V315 HydrophobicContact CH2-CB 4.25Å; W126-V315 HydrophobicContact CH2-CG1 4.09Å; W126-V315 HydrophobicContact CZ2-CG1 4.09Å; W126-L316 HydrophobicContact CH2-CB 4.04Å; W126-L316 HydrophobicContact CZ2-CB 3.97Å; W126-L316 HydrophobicContact CZ2-CD1 4.24Å; W126-F383 HydrophobicContact CB-CZ 4.48Å; W126-F383 AromaticContact CD2-CE1 3.95Å; W126-F383 HydrophobicContact CD2-CE1 3.95Å; W126-F383 HydrophobicContact CD2-CZ 4.01Å; W126-F383 AromaticContact CE3-CE1 3.64Å; W126-F383 HydrophobicContact CE3-CE1 3.64Å; W126-F383 HydrophobicContact CE3-CZ 4.16Å; W126-F383 HydrophobicContact CG-CZ 4.14Å; W126-F383 AromaticContact CZ3-CE1 4Å; W126-F383 HydrophobicContact CZ3-CE1 4Å; W126-L384 HydrophobicContact CH2-CD2 3.58Å; W126-L384 HydrophobicContact CZ3-CD2 3.76Å; W126-V387 HydrophobicContact CZ2-CG1 3.98Å
127S98.4Very high97.9Very high0 Ų011.2 Ų11.20%07%0.074CC..Hα-helixtrans-59.7-43.1177.9-58.60000112.7V123 L124 S125 L129 Y131 G512V123-S127 VanDerWaalsContact O-CB 3.31Å; V123-S127 WeakPolarHBondContact O-CB 3.44Å; V123-S127 PolarHBondContact O-N 3.42Å; V123-S127 PolarHBondContact O-OG 3.36Å; L124-S127 WeakPolarHBondContact O-CB 3.36Å; L124-S127 PolarHBondContact O-N 3.4Å; S125-S127 VanDerWaalsContact C-N 3.3Å; S125-S127 PolarHBondContact O-N 2.81Å; S127-L129 VanDerWaalsContact C-N 3.34Å; S127-Y131 WeakPolarHBondContact O-CA 3.37Å; S127-Y131 WeakPolarHBondContact O-CB 3.37Å; S127-Y131 PolarHBondContact O-N 3.27Å; S127-G512 WeakPolarHBondContact OG-CA 3.44Å; S127-G512 PolarHBondContact OG-N 2.85Å
128I98.3Very high97.8Very high11 Ų1112 Ų126%0.0568%0.08CC..Hα-helixtrans-67.8-36.6178-67.3160.9000111L124 S125 W126 G132 M135 L141 A144 L145 L148 V217L124-I128 WeakPolarHBondContact O-CD1 3.47Å; L124-I128 VanDerWaalsContact O-CG1 3.28Å; L124-I128 WeakPolarHBondContact O-CG1 3.33Å; L124-I128 PolarHBondContact O-N 2.98Å; S125-I128 PolarHBondContact O-N 3.26Å; W126-I128 PolarHBondContact O-N 2.66Å; I128-G132 WeakPolarHBondContact O-CA 3.41Å; I128-G132 PolarHBondContact O-N 3.04Å; I128-M135 HydrophobicContact CG1-CE 4.09Å; I128-M135 HydrophobicContact CG1-SD 3.83Å; I128-L141 HydrophobicContact CG1-CD1 4.43Å; I128-L141 HydrophobicContact CG2-CD1 3.84Å; I128-A144 HydrophobicContact CD1-CB 4.09Å; I128-A144 HydrophobicContact CG1-CB 4.16Å; I128-L145 HydrophobicContact CD1-CD2 4.22Å; I128-L145 HydrophobicContact CG2-CD2 4.39Å; I128-L148 HydrophobicContact CD1-CB 4.43Å; I128-L148 HydrophobicContact CD1-CD2 3.94Å; I128-V217 HydrophobicContact CB-CG1 4.38Å; I128-V217 HydrophobicContact CB-CG2 4.2Å; I128-V217 HydrophobicContact CD1-CG1 4.3Å; I128-V217 HydrophobicContact CG2-CG1 3.67Å; I128-V217 HydrophobicContact CG2-CG2 4.12Å
129L97.9Very high97.8Very high31 Ų3120.8 Ų20.816%0.16212%0.117CC..Hα-helixtrans-69.3-37.2179.1-69.5171.3000112.8S125 W126 S127 I216 V217 W273 F527S125-L129 VanDerWaalsContact O-CG 3.23Å; S125-L129 WeakPolarHBondContact O-CG 3.28Å; S125-L129 PolarHBondContact O-N 2.9Å; W126-L129 PolarHBondContact O-N 3.29Å; S127-L129 VanDerWaalsContact C-N 3.34Å; L129-I216 HydrophobicContact CD1-CB 4.15Å; L129-I216 HydrophobicContact CD1-CD1 4.24Å; L129-I216 HydrophobicContact CD1-CG2 4.12Å; L129-I216 HydrophobicContact CD2-CB 3.99Å; L129-I216 HydrophobicContact CD2-CG2 3.41Å; L129-I216 VanDerWaalsContact CD2-CG2 3.41Å; L129-I216 HydrophobicContact CG-CG2 4.42Å; L129-V217 HydrophobicContact CD1-CG2 4.31Å; L129-V217 HydrophobicContact CD2-CG2 3.85Å; L129-V217 HydrophobicContact CG-CG2 3.73Å; L129-W273 HydrophobicContact CD1-CH2 4.22Å; L129-W273 HydrophobicContact CD1-CZ3 3.7Å; L129-F527 HydrophobicContact CB-CD1 4.14Å; L129-F527 HydrophobicContact CB-CE1 3.58Å; L129-F527 HydrophobicContact CB-CE2 4.42Å; L129-F527 HydrophobicContact CB-CZ 3.7Å; L129-F527 HydrophobicContact CD1-CD2 4.3Å; L129-F527 HydrophobicContact CD1-CE2 4.19Å; L129-F527 HydrophobicContact CD1-CZ 4.29Å; L129-F527 HydrophobicContact CD2-CD1 4.47Å; L129-F527 HydrophobicContact CG-CE1 4.49Å
130E96.8Very high97.7Very high5 Ų522.5 Ų22.52%0.02313%0.125CC..Hα-helixtrans-83.6-36.8177.5-56.5-66.1-172.700112.7W126 R319 Y391 F527W126-E130 PolarHBondContact NE1-OE1 2.89Å; W126-E130 WeakPolarHBondContact O-CG 3.36Å; W126-E130 PolarHBondContact O-N 3.29Å; E130-R319 IonicContact OE1-CZ 2.92Å; E130-R319 IonicContact OE1-NH1 3.54Å; E130-R319 PolarHBondContact OE1-NH1 3.21Å; E130-R319 IonicContact OE2-NH1 3.04Å; E130-R319 PolarHBondContact OE2-NH1 3.41Å; E130-Y391 WeakPolarHBondContact OE1-CE1 3.01Å; E130-Y391 PolarHBondContact OE1-OH 2.96Å; E130-F527 WeakPolarHBondContact OE1-CZ 3.4Å
131Y97.4Very high97.7Very high0 Ų023.1 Ų23.10%013%0.129CC..Hα-helixtrans-128.617.3-164.1-53.2-51.8000114.2S127 D133 Q134 M135 F383 V386 V387 D390S127-Y131 WeakPolarHBondContact O-CA 3.37Å; S127-Y131 WeakPolarHBondContact O-CB 3.37Å; S127-Y131 PolarHBondContact O-N 3.27Å; Y131-D133 PolarHBondContact O-N 3.4Å; Y131-Q134 WeakPolarHBondContact O-CB 3.35Å; Y131-Q134 PolarHBondContact O-N 2.71Å; Y131-M135 WeakPolarHBondContact O-CG 2.99Å; Y131-M135 PolarHBondContact O-N 3.42Å; Y131-F383 HydrophobicContact CE2-CE2 4.04Å; Y131-V386 VanDerWaalsContact OH-CG1 3.31Å; Y131-V386 WeakPolarHBondContact OH-CG1 3.24Å; Y131-V387 HydrophobicContact CE2-CG2 4.05Å; Y131-V387 WeakPolarHBondContact OH-CA 3.48Å; Y131-V387 WeakPolarHBondContact OH-CG2 3.42Å; Y131-V387 PolarHBondContact OH-N 3.41Å; Y131-D390 VanDerWaalsContact CE1-OD2 3.23Å; Y131-D390 WeakPolarHBondContact CE1-OD2 3.2Å; Y131-D390 PolarHBondContact OH-OD2 2.88Å
132G96.8Very high97.6Very high12 Ų1229 Ų2912%0.12416%0.16CC..Hα-helixtrans-60.8-28.7-178.800000114.4I128 S136I128-G132 WeakPolarHBondContact O-CA 3.41Å; I128-G132 PolarHBondContact O-N 3.04Å; G132-S136 WeakPolarHBondContact O-CB 2.99Å; G132-S136 PolarHBondContact O-N 2.95Å; G132-S136 PolarHBondContact O-OG 3.04Å
133D95.4Very high97.6Very high60 Ų6031.2 Ų31.232%0.32118%0.175SC..Hα-helixtrans-71-39.8171.663.2-27.2000112P51 Y131 S136 A137 S521P51-D133 WeakPolarHBondContact CD-OD2 3.22Å; P51-D133 HydrophobicContact CG-CB 3.9Å; P51-D133 WeakPolarHBondContact CG-OD2 3.33Å; Y131-D133 PolarHBondContact O-N 3.4Å; D133-S136 WeakPolarHBondContact O-CB 3.37Å; D133-S136 PolarHBondContact O-N 3.18Å; D133-A137 PolarHBondContact O-N 3.14Å; D133-S521 VanDerWaalsContact OD2-CB 3.31Å; D133-S521 WeakPolarHBondContact OD2-CB 3.39Å; D133-S521 PolarHBondContact OD2-OG 3.11Å
134Q96.9Very high97.6Very high0 Ų031.2 Ų31.20%018%0.175CC..Hα-helixtrans-68.8-40.4175.9-53.8178.513.800111.3Y131 S136 A137 T138 S515 G516 T519 S521Y131-Q134 WeakPolarHBondContact O-CB 3.35Å; Y131-Q134 PolarHBondContact O-N 2.71Å; Q134-S136 VanDerWaalsContact C-N 3.33Å; Q134-A137 PolarHBondContact O-N 2.82Å; Q134-T138 PolarHBondContact O-N 3.47Å; Q134-T138 PolarHBondContact O-OG1 2.8Å; Q134-S515 PolarHBondContact OE1-O 2.95Å; Q134-G516 VanDerWaalsContact OE1-CA 3.26Å; Q134-T519 HydrophobicContact CB-CG2 4.07Å; Q134-T519 HydrophobicContact CG-CG2 3.72Å; Q134-S521 PolarHBondContact NE2-OG 2.77Å
135M97.9Very high97.6Very high0 Ų032.1 Ų32.10%018%0.179CC..Hα-helixtrans-62.7-39.3170.4-67.8178.3-178.700111.4L62 I128 Y131 T138 K139 Q140 L141 A144 V511 S515L62-M135 HydrophobicContact CD2-CG 4.48Å; I128-M135 HydrophobicContact CG1-CE 4.09Å; I128-M135 HydrophobicContact CG1-SD 3.83Å; Y131-M135 WeakPolarHBondContact O-CG 2.99Å; Y131-M135 PolarHBondContact O-N 3.42Å; M135-T138 CarbonylContact O-C 3.48Å; M135-T138 PolarHBondContact O-N 3.13Å; M135-T138 PolarHBondContact O-OG1 2.88Å; M135-K139 PolarHBondContact O-N 2.99Å; M135-K139 VanDerWaalsContact O-N 3.1Å; M135-Q140 PolarHBondContact O-N 2.85Å; M135-L141 HydrophobicContact CB-CB 3.99Å; M135-L141 HydrophobicContact CB-CD1 4.42Å; M135-L141 PolarHBondContact O-N 3.14Å; M135-L141 HydrophobicContact SD-CD1 4.21Å; M135-A144 HydrophobicContact SD-CB 3.96Å; M135-V511 HydrophobicContact CE-CG1 3.92Å; M135-S515 WeakPolarHBondContact CE-OG 3.39Å; M135-S515 WeakPolarHBondContact CG-OG 3.49Å
136S96.8Very high97.5Very high61 Ų6135.1 Ų35.143%0.42720%0.195SC..Hα-helixtrans-64.3-40.7176.4-68.70000111.8G132 D133 Q134 T138 K139 L141G132-S136 WeakPolarHBondContact O-CB 2.99Å; G132-S136 PolarHBondContact O-N 2.95Å; G132-S136 PolarHBondContact O-OG 3.04Å; D133-S136 WeakPolarHBondContact O-CB 3.37Å; D133-S136 PolarHBondContact O-N 3.18Å; Q134-S136 VanDerWaalsContact C-N 3.33Å; S136-T138 PolarHBondContact O-N 2.03Å; S136-K139 PolarHBondContact O-N 3.03Å; S136-L141 WeakPolarHBondContact OG-CD2 3.23Å
137A95.6Very high97.5Very high51 Ų5135.1 Ų35.142%0.42120%0.195SC..Hα-helixtrans-63.2-23178.500000113.3P51 I54 D133 Q134P51-A137 HydrophobicContact CB-CB 4.47Å; I54-A137 HydrophobicContact CD1-CB 3.7Å; D133-A137 PolarHBondContact O-N 3.14Å; Q134-A137 PolarHBondContact O-N 2.82Å
138T96.5Very high97.5Very high22 Ų2235.1 Ų35.114%0.13520%0.195CC..THydrogen-bonded Turntrans-104.86.7174.452.90000114.3I54 Q134 M135 S136 Q140 V518I54-T138 HydrophobicContact CD1-CG2 4.3Å; I54-T138 HydrophobicContact CG2-CG2 3.96Å; Q134-T138 PolarHBondContact O-N 3.47Å; Q134-T138 PolarHBondContact O-OG1 2.8Å; M135-T138 CarbonylContact O-C 3.48Å; M135-T138 PolarHBondContact O-N 3.13Å; M135-T138 PolarHBondContact O-OG1 2.88Å; S136-T138 PolarHBondContact O-N 2.03Å; T138-Q140 VanDerWaalsContact C-N 3.25Å; T138-Q140 WeakPolarHBondContact O-CG 3.12Å; T138-Q140 PolarHBondContact O-N 3.31Å; T138-Q140 PolarHBondContact O-NE2 2.96Å; T138-Q140 VanDerWaalsContact O-NE2 3.07Å; T138-V518 HydrophobicContact CG2-CB 4.42Å; T138-V518 HydrophobicContact CG2-CG1 3.32Å; T138-V518 HydrophobicContact CG2-CG2 4.12Å
139K97.2Very high97.5Very high183 Ų18337.8 Ų37.880%0.79621%0.205SC*.THydrogen-bonded Turntrans60.131.4-177.3-51.8177.1-179.4176.70114M135 S136M135-K139 PolarHBondContact O-N 2.99Å; M135-K139 VanDerWaalsContact O-N 3.1Å; S136-K139 PolarHBondContact O-N 3.03Å
140Q98.1Very high97.6Very high36 Ų3636.6 Ų36.617%0.16820%0.198CC..  trans-107.9-1.8-177.4-61.9-45.6-45.300113.9L62 L66 M135 T138 P143 A144L62-Q140 HydrophobicContact CD2-CB 3.82Å; L62-Q140 HydrophobicContact CD2-CG 3.92Å; L62-Q140 HydrophobicContact CG-CB 4.03Å; L62-Q140 HydrophobicContact CG-CG 3.93Å; L66-Q140 HydrophobicContact CD1-CB 3.6Å; L66-Q140 HydrophobicContact CD1-CG 4.2Å; M135-Q140 PolarHBondContact O-N 2.85Å; T138-Q140 VanDerWaalsContact C-N 3.25Å; T138-Q140 WeakPolarHBondContact O-CG 3.12Å; T138-Q140 PolarHBondContact O-N 3.31Å; T138-Q140 PolarHBondContact O-NE2 2.96Å; T138-Q140 VanDerWaalsContact O-NE2 3.07Å; Q140-P143 WeakPolarHBondContact O-CD 3.06Å; Q140-A144 WeakPolarHBondContact O-CB 3.41Å; Q140-A144 PolarHBondContact O-N 3.05Å
141L98.5Very high97.7Very high13 Ų1336.4 Ų36.47%0.06820%0.197CC..Hα-helixtrans-66.4-44.2179.1-179.460.8000112.6I128 M135 S136 A144 L145I128-L141 HydrophobicContact CG1-CD1 4.43Å; I128-L141 HydrophobicContact CG2-CD1 3.84Å; M135-L141 HydrophobicContact CB-CB 3.99Å; M135-L141 HydrophobicContact CB-CD1 4.42Å; M135-L141 PolarHBondContact O-N 3.14Å; M135-L141 HydrophobicContact SD-CD1 4.21Å; S136-L141 WeakPolarHBondContact OG-CD2 3.23Å; L141-A144 PolarHBondContact O-N 3.42Å; L141-L145 HydrophobicContact CD1-CD1 4.12Å; L141-L145 HydrophobicContact CD1-CG 4.07Å; L141-L145 HydrophobicContact CD2-CD1 4.39Å; L141-L145 HydrophobicContact CG-CD1 3.82Å; L141-L145 HydrophobicContact CG-CG 4.26Å; L141-L145 WeakPolarHBondContact O-CG 3.01Å; L141-L145 PolarHBondContact O-N 2.92Å
142D97.8Very high97.7Very high125 Ų12536.4 Ų36.467%0.66820%0.197SC*.Hα-helixtrans-65.2-44.8-178.4-66.2-21.3000112.7A144 L145 D146D142-A144 VanDerWaalsContact C-N 3.29Å; D142-A144 PolarHBondContact O-N 3.42Å; D142-L145 PolarHBondContact O-N 2.85Å; D142-D146 WeakPolarHBondContact O-CB 3.37Å; D142-D146 PolarHBondContact O-N 2.96Å
143P97.6Very high97.8Very high46 Ų4637.2 Ų37.230%0.29920%0.199SC..Hα-helixtrans-57.8-38.1171-26.133.8000113.9L66 Q140 A147L66-P143 HydrophobicContact CB-CB 4.38Å; L66-P143 HydrophobicContact CD1-CB 4.32Å; Q140-P143 WeakPolarHBondContact O-CD 3.06Å; P143-A147 WeakPolarHBondContact O-CB 3.36Å; P143-A147 PolarHBondContact O-N 3.21Å
144A98.6Very high98Very high0 Ų034.4 Ų34.40%018%0.184CC..Hα-helixtrans-67.5-42177.100000112.1L66 I128 M135 Q140 L141 D142 A147 L148L66-A144 HydrophobicContact CD2-CB 3.89Å; I128-A144 HydrophobicContact CD1-CB 4.09Å; I128-A144 HydrophobicContact CG1-CB 4.16Å; M135-A144 HydrophobicContact SD-CB 3.96Å; Q140-A144 WeakPolarHBondContact O-CB 3.41Å; Q140-A144 PolarHBondContact O-N 3.05Å; L141-A144 PolarHBondContact O-N 3.42Å; D142-A144 VanDerWaalsContact C-N 3.29Å; D142-A144 PolarHBondContact O-N 3.42Å; A144-A147 PolarHBondContact O-N 3.34Å; A144-L148 WeakPolarHBondContact O-CB 3.46Å; A144-L148 PolarHBondContact O-N 3.41Å
145L98.6Very high98.1Very high19 Ų1934.4 Ų34.410%0.09918%0.184CC..Hα-helixtrans-65-39.8175.5-72.1169.4000112.2I128 L141 D142 L148 R149 V217 F218I128-L145 HydrophobicContact CD1-CD2 4.22Å; I128-L145 HydrophobicContact CG2-CD2 4.39Å; L141-L145 HydrophobicContact CD1-CD1 4.12Å; L141-L145 HydrophobicContact CD1-CG 4.07Å; L141-L145 HydrophobicContact CD2-CD1 4.39Å; L141-L145 HydrophobicContact CG-CD1 3.82Å; L141-L145 HydrophobicContact CG-CG 4.26Å; L141-L145 WeakPolarHBondContact O-CG 3.01Å; L141-L145 PolarHBondContact O-N 2.92Å; D142-L145 PolarHBondContact O-N 2.85Å; L145-L148 PolarHBondContact O-N 2.89Å; L145-R149 WeakPolarHBondContact O-CB 3.35Å; L145-R149 PolarHBondContact O-N 2.86Å; L145-V217 HydrophobicContact CD2-CG1 3.42Å; L145-V217 VanDerWaalsContact CD2-CG1 3.42Å; L145-F218 HydrophobicContact CD2-CE1 4.03Å; L145-F218 HydrophobicContact CD2-CZ 4.32Å
146D98Very high98.1Very high62 Ų6235.5 Ų35.533%0.33219%0.19SC..Hα-helixtrans-64.2-46.3175.9171.769.5000111.6Q70 K73 D142 L148 R149 W150Q70-D146 PolarHBondContact NE2-OD2 3.49Å; K73-D146 IonicContact NZ-OD1 2.65Å; K73-D146 PolarHBondContact NZ-OD1 3.46Å; K73-D146 IonicContact NZ-OD2 2.78Å; K73-D146 PolarHBondContact NZ-OD2 3.36Å; D142-D146 WeakPolarHBondContact O-CB 3.37Å; D142-D146 PolarHBondContact O-N 2.96Å; D146-L148 PolarHBondContact O-N 3.47Å; D146-R149 PolarHBondContact O-N 2.97Å; D146-W150 WeakPolarHBondContact O-CB 3.49Å; D146-W150 PolarHBondContact O-N 3.22Å
147A98.3Very high98.2Very high0 Ų035.5 Ų35.50%019%0.186CC..Hα-helixtrans-59.4-46.8174.800000111.8F69 M104 L124 P143 A144 W150 I151F69-A147 HydrophobicContact CB-CB 3.64Å; F69-A147 HydrophobicContact CD1-CB 4.48Å; F69-A147 HydrophobicContact CD2-CB 4.02Å; F69-A147 HydrophobicContact CG-CB 3.77Å; M104-A147 HydrophobicContact CE-CB 4.29Å; L124-A147 HydrophobicContact CD1-CB 4.23Å; P143-A147 WeakPolarHBondContact O-CB 3.36Å; P143-A147 PolarHBondContact O-N 3.21Å; A144-A147 PolarHBondContact O-N 3.34Å; A147-W150 PolarHBondContact O-N 3.34Å; A147-I151 WeakPolarHBondContact O-CG1 3.27Å; A147-I151 PolarHBondContact O-N 2.69Å
148L98.8Very high98.4Very high0 Ų033.1 Ų33.10%017%0.165CC..Hα-helixtrans-60.1-50.4177.8177.760.2000111.5A121 L124 S125 I128 A144 L145 D146 W150 I151 T152 A214 V217 F218A121-L148 HydrophobicContact CB-CD1 3.78Å; A121-L148 WeakPolarHBondContact O-CD1 3.41Å; L124-L148 HydrophobicContact CB-CD1 4.45Å; S125-L148 WeakPolarHBondContact OG-CD1 3.15Å; I128-L148 HydrophobicContact CD1-CB 4.43Å; I128-L148 HydrophobicContact CD1-CD2 3.94Å; A144-L148 WeakPolarHBondContact O-CB 3.46Å; A144-L148 PolarHBondContact O-N 3.41Å; L145-L148 PolarHBondContact O-N 2.89Å; D146-L148 PolarHBondContact O-N 3.47Å; L148-W150 VanDerWaalsContact C-N 3.29Å; L148-W150 PolarHBondContact O-N 2.96Å; L148-I151 PolarHBondContact O-N 2.81Å; L148-T152 HydrophobicContact CD1-CG2 4.04Å; L148-T152 PolarHBondContact O-N 3.31Å; L148-T152 PolarHBondContact O-OG1 3.48Å; L148-T152 VanDerWaalsContact O-OG1 3.12Å; L148-A214 HydrophobicContact CD1-CB 4.17Å; L148-A214 HydrophobicContact CD2-CB 4.18Å; L148-A214 HydrophobicContact CG-CB 4.36Å; L148-V217 HydrophobicContact CD2-CB 4.15Å; L148-V217 HydrophobicContact CD2-CG1 3.96Å; L148-V217 HydrophobicContact CD2-CG2 4.2Å; L148-F218 HydrophobicContact CD2-CE2 3.8Å; L148-F218 HydrophobicContact CD2-CZ 4.22Å; L148-F218 HydrophobicContact CG-CE2 3.98Å; L148-F218 HydrophobicContact CG-CZ 4.34Å
149R98.8Very high98.5Very high68 Ų6832.2 Ų32.226%0.25716%0.16SC..Hα-helixtrans-60.6-39.3179.7-177.4170.8-76.2-101.110.6111.9L145 D146 I151 T152 D153 F218 D222 Y225L145-R149 WeakPolarHBondContact O-CB 3.35Å; L145-R149 PolarHBondContact O-N 2.86Å; D146-R149 PolarHBondContact O-N 2.97Å; R149-I151 VanDerWaalsContact C-N 3.29Å; R149-I151 PolarHBondContact O-N 3.09Å; R149-T152 WeakPolarHBondContact CA-OG1 3.08Å; R149-T152 PolarHBondContact O-N 3.15Å; R149-T152 PolarHBondContact O-OG1 2.75Å; R149-D153 WeakPolarHBondContact O-CB 3.4Å; R149-D153 VanDerWaalsContact O-CG 3.27Å; R149-D153 PolarHBondContact O-N 3.11Å; R149-F218 HydrophobicContact CB-CZ 3.86Å; R149-D222 IonicContact CZ-OD2 3.44Å; R149-D222 IonicContact NH1-OD2 3.26Å; R149-D222 PolarHBondContact NH1-OD2 3.35Å; R149-D222 IonicContact NH2-OD2 2.67Å; R149-D222 PolarHBondContact NH2-OD2 2.85Å; R149-Y225 HydrophobicContact CG-CE1 4.28Å; R149-Y225 VanDerWaalsContact CZ-CD1 3.49Å
150W98.7Very high98.6Very high6 Ų626.6 Ų26.62%0.02314%0.142CC..Hα-helixtrans-60.8-39.7178.8-161.5-90.6000112.7K73 A74 K76 K102 G103 D146 A147 L148K73-W150 HydrophobicContact CB-CZ2 4.46Å; K73-W150 HydrophobicContact CD-CD2 3.65Å; K73-W150 HydrophobicContact CD-CE3 4.03Å; K73-W150 HydrophobicContact CD-CG 3.96Å; K73-W150 HydrophobicContact CD-CZ2 4.16Å; K73-W150 HydrophobicContact CD-CZ3 4.44Å; K73-W150 HydrophobicContact CG-CD2 4.05Å; K73-W150 HydrophobicContact CG-CG 3.96Å; A74-W150 WeakPolarHBondContact O-CZ2 3.45Å; A74-W150 PolarHBondContact O-NE1 3.26Å; K76-W150 VanDerWaalsContact O-CH2 3.31Å; K76-W150 WeakPolarHBondContact O-CH2 3.24Å; K102-W150 HydrophobicContact CB-CZ2 4.44Å; K102-W150 HydrophobicContact CD-CD2 4.31Å; K102-W150 HydrophobicContact CD-CE3 4.4Å; K102-W150 HydrophobicContact CD-CH2 4.38Å; K102-W150 HydrophobicContact CD-CZ2 4.32Å; K102-W150 HydrophobicContact CD-CZ3 4.43Å; K102-W150 HydrophobicContact CG-CH2 4.36Å; K102-W150 HydrophobicContact CG-CZ2 3.95Å; G103-W150 VanDerWaalsContact O-CD1 3.28Å; G103-W150 PolarHBondContact O-NE1 3.22Å; G103-W150 VanDerWaalsContact O-NE1 3.1Å; D146-W150 WeakPolarHBondContact O-CB 3.49Å; D146-W150 PolarHBondContact O-N 3.22Å; A147-W150 PolarHBondContact O-N 3.34Å; L148-W150 VanDerWaalsContact C-N 3.29Å; L148-W150 PolarHBondContact O-N 2.96Å
151I98.9Very high98.6Very high0 Ų027.4 Ų27.40%015%0.152CC..Hα-helixtrans-70.3-49.3175.4-63.2165.2000110.1M104 M117 T120 A121 L124 A147 L148 R149 D153 F154 L155M104-I151 HydrophobicContact CE-CD1 3.77Å; M104-I151 HydrophobicContact CE-CG1 3.64Å; M104-I151 HydrophobicContact CG-CG1 4.17Å; M104-I151 HydrophobicContact SD-CD1 3.73Å; M104-I151 HydrophobicContact SD-CG1 3.74Å; M117-I151 HydrophobicContact CG-CG1 4.23Å; M117-I151 HydrophobicContact CG-CG2 3.68Å; M117-I151 HydrophobicContact SD-CG2 4.1Å; T120-I151 HydrophobicContact CG2-CD1 3.87Å; A121-I151 HydrophobicContact CB-CB 4.14Å; A121-I151 HydrophobicContact CB-CD1 4.27Å; A121-I151 HydrophobicContact CB-CG2 3.6Å; L124-I151 HydrophobicContact CD1-CD1 4.26Å; A147-I151 WeakPolarHBondContact O-CG1 3.27Å; A147-I151 PolarHBondContact O-N 2.69Å; L148-I151 PolarHBondContact O-N 2.81Å; R149-I151 VanDerWaalsContact C-N 3.29Å; R149-I151 PolarHBondContact O-N 3.09Å; I151-D153 VanDerWaalsContact C-N 3.33Å; I151-D153 PolarHBondContact O-N 3.27Å; I151-F154 WeakPolarHBondContact O-CB 3.39Å; I151-F154 PolarHBondContact O-N 3.02Å; I151-F154 VanDerWaalsContact O-N 3.07Å; I151-L155 HydrophobicContact CG2-CD1 3.94Å; I151-L155 HydrophobicContact CG2-CG 4.17Å; I151-L155 WeakPolarHBondContact O-CG 3.43Å; I151-L155 PolarHBondContact O-N 2.82Å
152T98.9Very high98.6Very high0 Ų030.5 Ų30.50%017%0.168CC..Hα-helixtrans-68.4-30.7-174.452.40000113.1A121 L148 R149 F154 L155 V156 A214 Y225 L229A121-T152 HydrophobicContact CB-CG2 4.43Å; L148-T152 HydrophobicContact CD1-CG2 4.04Å; L148-T152 PolarHBondContact O-N 3.31Å; L148-T152 PolarHBondContact O-OG1 3.48Å; L148-T152 VanDerWaalsContact O-OG1 3.12Å; R149-T152 WeakPolarHBondContact CA-OG1 3.08Å; R149-T152 PolarHBondContact O-N 3.15Å; R149-T152 PolarHBondContact O-OG1 2.75Å; T152-F154 VanDerWaalsContact C-N 3.3Å; T152-F154 PolarHBondContact O-N 2.81Å; T152-L155 PolarHBondContact O-N 3.29Å; T152-V156 WeakPolarHBondContact O-CB 3.3Å; T152-V156 WeakPolarHBondContact O-CG2 3.32Å; T152-V156 PolarHBondContact O-N 2.87Å; T152-A214 HydrophobicContact CG2-CB 3.72Å; T152-Y225 WeakPolarHBondContact CB-OH 3.49Å; T152-Y225 PolarHBondContact OG1-OH 2.8Å; T152-L229 HydrophobicContact CG2-CD2 4.3Å
153D98.8Very high98.6Very high30 Ų3027.1 Ų27.116%0.1615%0.15CC..Hα-helixtrans-58.8-41.9170.1-78-3000111.6K102 R149 I151 N157 Y225K102-D153 HydrophobicContact CD-CB 3.86Å; K102-D153 IonicContact NZ-OD2 3.62Å; K102-D153 PolarHBondContact NZ-OD2 2.8Å; R149-D153 WeakPolarHBondContact O-CB 3.4Å; R149-D153 VanDerWaalsContact O-CG 3.27Å; R149-D153 PolarHBondContact O-N 3.11Å; I151-D153 VanDerWaalsContact C-N 3.33Å; I151-D153 PolarHBondContact O-N 3.27Å; D153-N157 PolarHBondContact O-N 2.85Å; D153-Y225 PolarHBondContact N-OH 2.64Å; D153-Y225 WeakPolarHBondContact OD1-CE2 3.43Å; D153-Y225 VanDerWaalsContact OD1-CZ 3.3Å; D153-Y225 PolarHBondContact OD1-OH 2.98Å
154F98.9Very high98.7Very high1 Ų126.3 Ų26.30%0.00415%0.145CC..Hα-helixtrans-65.8-45174.5169.2-91.5000111.7L100 K102 K112 M117 I151 T152 V156 N157 A158 V169L100-F154 HydrophobicContact CB-CD2 4.42Å; L100-F154 HydrophobicContact CB-CE2 4.04Å; L100-F154 HydrophobicContact CD2-CE2 4.41Å; K102-F154 HydrophobicContact CB-CB 4.41Å; K102-F154 WeakPolarHBondContact O-CD2 3.42Å; K112-F154 HydrophobicContact CB-CE2 4.45Å; K112-F154 HydrophobicContact CB-CZ 4.16Å; K112-F154 HydrophobicContact CD-CD2 4.48Å; K112-F154 HydrophobicContact CD-CE2 3.85Å; K112-F154 HydrophobicContact CD-CZ 4.39Å; M117-F154 HydrophobicContact CE-CD1 4.22Å; M117-F154 HydrophobicContact CE-CE1 3.99Å; M117-F154 HydrophobicContact CE-CZ 4.48Å; M117-F154 HydrophobicContact SD-CD1 3.64Å; M117-F154 HydrophobicContact SD-CE1 3.98Å; M117-F154 HydrophobicContact SD-CG 4.33Å; I151-F154 WeakPolarHBondContact O-CB 3.39Å; I151-F154 PolarHBondContact O-N 3.02Å; I151-F154 VanDerWaalsContact O-N 3.07Å; T152-F154 VanDerWaalsContact C-N 3.3Å; T152-F154 PolarHBondContact O-N 2.81Å; F154-V156 VanDerWaalsContact C-N 3.35Å; F154-V156 PolarHBondContact O-N 3.43Å; F154-N157 PolarHBondContact O-N 2.63Å; F154-A158 HydrophobicContact CE1-CB 4.47Å; F154-A158 VanDerWaalsContact O-CB 3.26Å; F154-A158 WeakPolarHBondContact O-CB 3.33Å; F154-A158 PolarHBondContact O-N 3.46Å; F154-V169 HydrophobicContact CE2-CG2 4.16Å; F154-V169 HydrophobicContact CZ-CG2 4.25Å
155L98.9Very high98.7Very high0 Ų026.3 Ų26.30%015%0.145CC..Hα-helixtrans-63.1-39.2-179.9-62.9176.3000112.4A118 I151 T152 A158 H159 F165 A210 M211A118-L155 HydrophobicContact CB-CD1 4.11Å; A118-L155 HydrophobicContact CB-CD2 4.21Å; I151-L155 HydrophobicContact CG2-CD1 3.94Å; I151-L155 HydrophobicContact CG2-CG 4.17Å; I151-L155 WeakPolarHBondContact O-CG 3.43Å; I151-L155 PolarHBondContact O-N 2.82Å; T152-L155 PolarHBondContact O-N 3.29Å; L155-A158 PolarHBondContact O-N 3.48Å; L155-H159 PolarHBondContact O-N 3.43Å; L155-F165 HydrophobicContact CD2-CZ 3.96Å; L155-A210 HydrophobicContact CD1-CB 3.84Å; L155-M211 HydrophobicContact CB-CG 4.43Å; L155-M211 HydrophobicContact CB-SD 4.28Å
156V98.9Very high98.7Very high22 Ų2226.8 Ų26.813%0.13315%0.145CC..Hα-helixtrans-61-49.5174.2164.90000110.5T152 F154 A158 H159 M211 L229T152-V156 WeakPolarHBondContact O-CB 3.3Å; T152-V156 WeakPolarHBondContact O-CG2 3.32Å; T152-V156 PolarHBondContact O-N 2.87Å; F154-V156 VanDerWaalsContact C-N 3.35Å; F154-V156 PolarHBondContact O-N 3.43Å; V156-A158 VanDerWaalsContact C-N 3.29Å; V156-A158 PolarHBondContact O-N 3.21Å; V156-H159 CarbonylContact O-C 2.98Å; V156-H159 PolarHBondContact O-N 3.49Å; V156-M211 HydrophobicContact CG2-SD 3.93Å; V156-L229 HydrophobicContact CG2-CD2 3.72Å
157N98.8Very high98.8Very high62 Ų6224.1 Ų24.133%0.33213%0.131SC..Hα-helixtrans-67.9-30179.6-71.5-2.6000112.9D99 L100 D153 F154 H159D99-N157 WeakPolarHBondContact O-CB 3.49Å; D99-N157 PolarHBondContact O-ND2 2.99Å; L100-N157 HydrophobicContact CD2-CB 3.97Å; D153-N157 PolarHBondContact O-N 2.85Å; F154-N157 PolarHBondContact O-N 2.63Å; N157-H159 PolarHBondContact O-N 2.94Å
158A98.9Very high98.8Very high0 Ų025 Ų250%014%0.135CC..Hα-helixtrans-70.8-12.3173.200000113L100 F154 L155 V156 P160 F165 Y166L100-A158 HydrophobicContact CD2-CB 4.04Å; F154-A158 HydrophobicContact CE1-CB 4.47Å; F154-A158 VanDerWaalsContact O-CB 3.26Å; F154-A158 WeakPolarHBondContact O-CB 3.33Å; F154-A158 PolarHBondContact O-N 3.46Å; L155-A158 PolarHBondContact O-N 3.48Å; V156-A158 VanDerWaalsContact C-N 3.29Å; V156-A158 PolarHBondContact O-N 3.21Å; A158-P160 WeakPolarHBondContact O-CD 3.13Å; A158-F165 HydrophobicContact CB-CD2 4.16Å; A158-F165 HydrophobicContact CB-CE2 3.65Å; A158-F165 HydrophobicContact CB-CZ 4.3Å; A158-F165 CarbonylContact O-C 3.17Å; A158-F165 WeakPolarHBondContact O-CA 3.48Å; A158-F165 WeakPolarHBondContact O-CD2 3.34Å; A158-Y166 PolarHBondContact O-N 3.48Å
159H98.9Very high98.8Very high3 Ų325 Ų251%0.01414%0.135CC..  trans-111.671.8177-178-158.1000112.1L155 V156 N157 S161 V164 F165 H232 L236L155-H159 PolarHBondContact O-N 3.43Å; V156-H159 CarbonylContact O-C 2.98Å; V156-H159 PolarHBondContact O-N 3.49Å; N157-H159 PolarHBondContact O-N 2.94Å; H159-S161 PolarHBondContact CD2-O 3.12Å; H159-S161 PolarHBondContact NE2-O 3.36Å; H159-S161 PolarHBondContact O-N 3.31Å; H159-V164 PolarHBondContact CD2-O 2.73Å; H159-F165 HydrophobicContact CB-CD2 3.83Å; H159-F165 HydrophobicContact CB-CE2 4.24Å; H159-H232 AromaticContact CE1-ND1 3.71Å; H159-H232 PolarHBondContact CE1-O 3.44Å; H159-H232 AromaticContact CG-ND1 3.42Å; H159-H232 AromaticContact ND1-CG 3.59Å; H159-H232 AromaticContact ND1-ND1 2.91Å; H159-H232 PolarHBondContact ND1-ND1 3.44Å; H159-H232 PolarHBondContact ND1-O 3.31Å; H159-H232 PolarHBondContact O-CE1 3.1Å; H159-H232 PolarHBondContact O-ND1 2.81Å; H159-L236 HydrophobicContact CB-CD2 4.49Å; H159-L236 WeakPolarHBondContact ND1-CG 3.44Å
160P98.5Very high98.7Very high65 Ų6521.8 Ų21.842%0.42212%0.123SC..  trans-76.3-18.1-173.831.8-39.1000114.9L98 A158 V164 Y166L98-P160 HydrophobicContact CD1-CB 4.38Å; L98-P160 HydrophobicContact CD1-CG 4.09Å; L98-P160 HydrophobicContact CD2-CB 3.77Å; L98-P160 HydrophobicContact CD2-CG 4.36Å; A158-P160 WeakPolarHBondContact O-CD 3.13Å; P160-V164 HydrophobicContact CG-CB 4.48Å; P160-V164 HydrophobicContact CG-CG1 4.1Å; P160-Y166 HydrophobicContact CG-CD2 4.26Å; P160-Y166 HydrophobicContact CG-CE2 3.95Å
161S98.5Very high98.6Very high54 Ų5423.5 Ų23.538%0.37813%0.133SC..BIsolated β-bridgetrans-155.3156.517971.60000110.8H159 N163 V164H159-S161 PolarHBondContact CD2-O 3.12Å; H159-S161 PolarHBondContact NE2-O 3.36Å; H159-S161 PolarHBondContact O-N 3.31Å; S161-N163 PolarHBondContact O-N 3.23Å; S161-V164 PolarHBondContact O-N 3.3Å; S161-V164 WeakPolarHBondContact OG-CB 3.37Å; S161-V164 WeakPolarHBondContact OG-CG2 3.47Å
162D98.6Very high98.5Very high78 Ų7823.8 Ų23.842%0.41714%0.135SC..THydrogen-bonded Turntrans-48-30.5-167.1-60.73.7000116.3K235 F239D162-K235 VanDerWaalsContact OD1-CD 3.3Å; D162-K235 WeakPolarHBondContact OD1-CD 2.96Å; D162-K235 VanDerWaalsContact OD1-CE 3.24Å; D162-K235 WeakPolarHBondContact OD1-CE 3.11Å; D162-K235 IonicContact OD1-NZ 2.62Å; D162-K235 PolarHBondContact OD1-NZ 3.37Å; D162-F239 WeakPolarHBondContact O-CB 3.42Å
163N98.7Very high98.3Very high54 Ų5426.9 Ų26.929%0.28915%0.151SC..THydrogen-bonded Turntrans-126.131.9-178.6-56-74000112.8S161 N195 T196 F239S161-N163 PolarHBondContact O-N 3.23Å; N163-N195 VanDerWaalsContact O-CA 3.24Å; N163-N195 WeakPolarHBondContact O-CA 3.45Å; N163-N195 WeakPolarHBondContact O-CB 3.45Å; N163-T196 HydrophobicContact CB-CG2 3.59Å; N163-F239 HydrophobicContact CB-CD2 3.7Å; N163-F239 HydrophobicContact CB-CE2 4.09Å; N163-F239 HydrophobicContact CB-CG 4.21Å; N163-F239 WeakPolarHBondContact OD1-CD2 3.35Å
164V98.8Very high98.2Very high29 Ų2928.5 Ų28.518%0.17616%0.159CC..EExtended strand (participates in β ladder)trans-135.5124.3175.9175.50000109.4H159 P160 S161 Y166 Q193 I194 N195H159-V164 PolarHBondContact CD2-O 2.73Å; P160-V164 HydrophobicContact CG-CB 4.48Å; P160-V164 HydrophobicContact CG-CG1 4.1Å; S161-V164 PolarHBondContact O-N 3.3Å; S161-V164 WeakPolarHBondContact OG-CB 3.37Å; S161-V164 WeakPolarHBondContact OG-CG2 3.47Å; V164-Y166 HydrophobicContact CG1-CD2 4.39Å; V164-Y166 HydrophobicContact CG1-CE2 3.99Å; V164-Q193 HydrophobicContact CG1-CB 4.5Å; V164-I194 WeakPolarHBondContact CA-O 3.36Å; V164-N195 HydrophobicContact CG2-CB 4.32Å
165F98.9Very high98.1Very high0 Ų029 Ų290%016%0.162CC..EExtended strand (participates in β ladder)trans-135.2127.7175-172.4-121.6000111.1L155 A158 H159 I167 Q193 I194 V203 A207 L236L155-F165 HydrophobicContact CD2-CZ 3.96Å; A158-F165 HydrophobicContact CB-CD2 4.16Å; A158-F165 HydrophobicContact CB-CE2 3.65Å; A158-F165 HydrophobicContact CB-CZ 4.3Å; A158-F165 CarbonylContact O-C 3.17Å; A158-F165 WeakPolarHBondContact O-CA 3.48Å; A158-F165 WeakPolarHBondContact O-CD2 3.34Å; H159-F165 HydrophobicContact CB-CD2 3.83Å; H159-F165 HydrophobicContact CB-CE2 4.24Å; F165-I167 HydrophobicContact CD1-CG2 3.66Å; F165-I167 HydrophobicContact CE1-CG2 4.15Å; F165-Q193 CarbonylContact O-C 3.53Å; F165-Q193 WeakPolarHBondContact O-CA 3.4Å; F165-Q193 WeakPolarHBondContact O-CB 3.45Å; F165-I194 HydrophobicContact CB-CD1 4.14Å; F165-I194 HydrophobicContact CB-CG1 3.83Å; F165-I194 HydrophobicContact CD1-CD1 4.28Å; F165-I194 PolarHBondContact N-O 2.89Å; F165-I194 VanDerWaalsContact N-O 3.08Å; F165-I194 WeakPolarHBondContact O-CG1 3.47Å; F165-I194 PolarHBondContact O-N 2.79Å; F165-V203 HydrophobicContact CD1-CG1 4.34Å; F165-V203 HydrophobicContact CE1-CG1 4.02Å; F165-A207 HydrophobicContact CD1-CB 4.46Å; F165-A207 HydrophobicContact CE1-CB 3.65Å; F165-A207 HydrophobicContact CE2-CB 4.17Å; F165-A207 HydrophobicContact CZ-CB 3.49Å; F165-A207 VanDerWaalsContact CZ-CB 3.49Å; F165-L236 HydrophobicContact CB-CD2 3.92Å; F165-L236 HydrophobicContact CD2-CD1 4.12Å; F165-L236 HydrophobicContact CD2-CD2 4.13Å; F165-L236 HydrophobicContact CE2-CD1 4.2Å; F165-L236 HydrophobicContact CG-CD1 4.5Å; F165-L236 HydrophobicContact CG-CD2 4.08Å
166Y98.8Very high97.9Very high29 Ų2932.7 Ų32.711%0.11418%0.179CC..EExtended strand (participates in β ladder)trans-83.5115.1177-76.7-93.1000110.1A96 L98 L100 A158 P160 V164 L191 T192 Q193A96-Y166 HydrophobicContact CB-CE1 4.15Å; A96-Y166 VanDerWaalsContact CB-OH 3.27Å; A96-Y166 WeakPolarHBondContact CB-OH 3.32Å; L98-Y166 HydrophobicContact CD1-CD2 3.59Å; L98-Y166 HydrophobicContact CD1-CE2 3.3Å; L98-Y166 HydrophobicContact CD1-CG 4.36Å; L100-Y166 HydrophobicContact CD1-CD1 4.35Å; L100-Y166 HydrophobicContact CD1-CG 4.18Å; A158-Y166 PolarHBondContact O-N 3.48Å; P160-Y166 HydrophobicContact CG-CD2 4.26Å; P160-Y166 HydrophobicContact CG-CE2 3.95Å; V164-Y166 HydrophobicContact CG1-CD2 4.39Å; V164-Y166 HydrophobicContact CG1-CE2 3.99Å; Y166-L191 HydrophobicContact CD1-CB 3.79Å; Y166-L191 HydrophobicContact CD1-CD1 4.29Å; Y166-L191 HydrophobicContact CE1-CB 3.76Å; Y166-L191 HydrophobicContact CE1-CD1 3.92Å; Y166-L191 HydrophobicContact CE1-CG 4.44Å; Y166-T192 CarbonylContact C-O 3.4Å; Y166-T192 WeakPolarHBondContact CA-O 3.37Å; Y166-Q193 HydrophobicContact CD1-CB 3.92Å; Y166-Q193 HydrophobicContact CD2-CB 4.43Å; Y166-Q193 HydrophobicContact CE1-CB 4.02Å; Y166-Q193 HydrophobicContact CE2-CB 4.47Å; Y166-Q193 HydrophobicContact CG-CB 4.16Å; Y166-Q193 PolarHBondContact OH-OE1 3.14Å
167I98.6Very high97.8Very high6 Ų637.3 Ų37.33%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-100.4-19.2-16961.3161.9000114.4S114 F165 T192 I194 V203 A247 Y251 L254S114-I167 WeakPolarHBondContact CB-O 3.38Å; S114-I167 PolarHBondContact N-O 2.99Å; S114-I167 WeakPolarHBondContact OG-CA 3.21Å; S114-I167 PolarHBondContact OG-O 3.46Å; F165-I167 HydrophobicContact CD1-CG2 3.66Å; F165-I167 HydrophobicContact CE1-CG2 4.15Å; I167-T192 HydrophobicContact CD1-CG2 4.11Å; I167-T192 HydrophobicContact CG1-CG2 3.97Å; I167-T192 PolarHBondContact N-O 2.98Å; I167-I194 HydrophobicContact CD1-CG2 3.92Å; I167-I194 HydrophobicContact CG1-CG2 4.45Å; I167-I194 HydrophobicContact CG2-CB 4.5Å; I167-I194 HydrophobicContact CG2-CD1 3.95Å; I167-I194 HydrophobicContact CG2-CG1 3.77Å; I167-I194 HydrophobicContact CG2-CG2 4.09Å; I167-V203 HydrophobicContact CB-CG1 4.08Å; I167-V203 HydrophobicContact CG2-CB 4.14Å; I167-V203 HydrophobicContact CG2-CG1 3.58Å; I167-A247 HydrophobicContact CD1-CB 4.08Å; I167-Y251 HydrophobicContact CD1-CD2 4.17Å; I167-Y251 HydrophobicContact CD1-CE2 4.45Å; I167-L254 HydrophobicContact CD1-CD1 3.78Å
168Q98.6Very high97.6Very high17 Ų1734.5 Ų34.58%0.07919%0.188CC..EExtended strand (participates in β ladder)trans-146.8137.1-176.7-169.9-174.4-62.800110.8I111 K112 F113 G170 P172 T192I111-Q168 HydrophobicContact CG2-CG 3.86Å; K112-Q168 VanDerWaalsContact O-CA 3.29Å; K112-Q168 WeakPolarHBondContact O-CA 3.33Å; F113-Q168 HydrophobicContact CD1-CG 4.01Å; F113-Q168 HydrophobicContact CE1-CG 3.89Å; F113-Q168 VanDerWaalsContact CE1-OE1 3.28Å; Q168-G170 PolarHBondContact NE2-O 2.78Å; Q168-P172 VanDerWaalsContact NE2-CD 3.3Å; Q168-T192 PolarHBondContact N-O 2.83Å; Q168-T192 PolarHBondContact O-N 2.74Å
169V98.6Very high97.5Very high1 Ų134.7 Ų34.71%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-123.4123.1165.2-171.70000109.5D92 L100 K112 F154 R189 L191D92-V169 HydrophobicContact CB-CG1 3.85Å; D92-V169 WeakPolarHBondContact OD2-CG1 3.28Å; L100-V169 HydrophobicContact CB-CG2 4.28Å; L100-V169 HydrophobicContact CD1-CG2 4.06Å; K112-V169 HydrophobicContact CB-CB 4.05Å; K112-V169 HydrophobicContact CB-CG2 4.36Å; K112-V169 HydrophobicContact CD-CB 4.12Å; K112-V169 HydrophobicContact CD-CG2 4.32Å; K112-V169 HydrophobicContact CG-CB 4.46Å; K112-V169 PolarHBondContact N-O 3.27Å; K112-V169 PolarHBondContact O-N 3.12Å; K112-V169 VanDerWaalsContact O-N 3.11Å; F154-V169 HydrophobicContact CE2-CG2 4.16Å; F154-V169 HydrophobicContact CZ-CG2 4.25Å; V169-R189 HydrophobicContact CG1-CB 4.4Å; V169-L191 HydrophobicContact CB-CD2 4.17Å; V169-L191 HydrophobicContact CG1-CD2 3.75Å; V169-L191 HydrophobicContact CG2-CD2 3.76Å
170G97.9Very high97.4Very high1 Ų134.7 Ų34.71%0.0119%0.189CC..SBendtrans111.3159.5-170.800000112.5Q168 P190Q168-G170 PolarHBondContact NE2-O 2.78Å; G170-P190 PolarHBondContact N-O 3.16Å
171D97Very high97.3Very high42 Ų4233 Ų3323%0.22517%0.174CC..  trans-109.5112.6168.1-171.3-30.3000108.1D173 L174 D175 P190D171-D173 PolarHBondContact O-N 2.83Å; D171-D173 WeakPolarHBondContact OD1-CB 3.27Å; D171-D173 PolarHBondContact OD1-N 2.94Å; D171-L174 HydrophobicContact CB-CB 4.15Å; D171-L174 HydrophobicContact CB-CD1 3.99Å; D171-L174 HydrophobicContact CB-CG 3.98Å; D171-L174 PolarHBondContact O-N 3.45Å; D171-L174 VanDerWaalsContact O-N 3.1Å; D171-D175 WeakPolarHBondContact O-CB 2.99Å; D171-D175 PolarHBondContact O-N 3.34Å; D171-P190 HydrophobicContact CB-CG 3.85Å
172P95.8Very high97.2Very high6 Ų630.7 Ų30.74%0.03916%0.158CC..Hα-helixtrans-56.1-33.9179.9-28.636.2000113.7I111 F113 Q168 H176 Y257I111-P172 HydrophobicContact CD1-CG 4.25Å; I111-P172 HydrophobicContact CG1-CB 4.43Å; I111-P172 HydrophobicContact CG1-CG 4.2Å; I111-P172 HydrophobicContact CG2-CG 4.44Å; F113-P172 HydrophobicContact CE1-CG 4.3Å; F113-P172 HydrophobicContact CZ-CG 3.65Å; Q168-P172 VanDerWaalsContact NE2-CD 3.3Å; P172-H176 WeakPolarHBondContact O-CB 3.44Å; P172-H176 PolarHBondContact O-CD2 2.9Å; P172-H176 VanDerWaalsContact O-CG 3.27Å; P172-H176 PolarHBondContact O-N 2.71Å; P172-Y257 HydrophobicContact CB-CD1 4.4Å; P172-Y257 HydrophobicContact CB-CD2 4.28Å; P172-Y257 HydrophobicContact CB-CE1 3.7Å; P172-Y257 HydrophobicContact CB-CE2 3.56Å; P172-Y257 VanDerWaalsContact CB-OH 3.29Å; P172-Y257 WeakPolarHBondContact CB-OH 3.46Å; P172-Y257 HydrophobicContact CG-CD2 4.3Å; P172-Y257 HydrophobicContact CG-CE2 3.92Å
173D95.6Very high97.1Very high65 Ų6529 Ų2935%0.34815%0.148SC..Hα-helixtrans-67.5-39.2178.9-67.8-38.4000110.7D171 N177 K253D171-D173 PolarHBondContact O-N 2.83Å; D171-D173 WeakPolarHBondContact OD1-CB 3.27Å; D171-D173 PolarHBondContact OD1-N 2.94Å; D173-N177 WeakPolarHBondContact O-CB 3.48Å; D173-N177 PolarHBondContact O-N 3.14Å; D173-N177 PolarHBondContact O-ND2 2.96Å; D173-K253 IonicContact OD2-NZ 2.73Å; D173-K253 PolarHBondContact OD2-NZ 3.35Å
174L96Very high96.9Very high63 Ų6328.9 Ų28.933%0.3315%0.149SC..Hα-helixtrans-72.4-45.9176.8-62.8-179.4000111D171 H176 N177 C178 E187 K188D171-L174 HydrophobicContact CB-CB 4.15Å; D171-L174 HydrophobicContact CB-CD1 3.99Å; D171-L174 HydrophobicContact CB-CG 3.98Å; D171-L174 PolarHBondContact O-N 3.45Å; D171-L174 VanDerWaalsContact O-N 3.1Å; L174-H176 PolarHBondContact O-N 3.22Å; L174-N177 PolarHBondContact O-N 3.1Å; L174-C178 WeakPolarHBondContact O-CB 3.23Å; L174-C178 PolarHBondContact O-N 3.24Å; L174-E187 HydrophobicContact CB-CB 4.44Å; L174-K188 HydrophobicContact CD1-CB 4.31Å
175D96.5Very high96.7Very high12 Ų1229.4 Ų29.46%0.06415%0.15CC..Hα-helixtrans-64.5-41.3-177.9-174.4-81.1000112.5D109 H110 I111 D171 N177 C178 R448D109-D175 WeakPolarHBondContact CB-OD1 3.42Å; H110-D175 VanDerWaalsContact CB-OD2 3.26Å; H110-D175 WeakPolarHBondContact CB-OD2 3.47Å; H110-D175 IonicContact CG-OD2 3.26Å; H110-D175 PolarHBondContact N-OD2 3.13Å; H110-D175 IonicContact ND1-OD2 3.6Å; H110-D175 PolarHBondContact ND1-OD2 2.86Å; I111-D175 HydrophobicContact CD1-CB 3.55Å; I111-D175 HydrophobicContact CG1-CB 4.13Å; D171-D175 WeakPolarHBondContact O-CB 2.99Å; D171-D175 PolarHBondContact O-N 3.34Å; D175-N177 VanDerWaalsContact C-N 3.29Å; D175-N177 PolarHBondContact O-N 3.5Å; D175-C178 CarbonylContact O-C 3.46Å; D175-C178 WeakPolarHBondContact O-CA 3.35Å; D175-C178 WeakPolarHBondContact O-CB 3.47Å; D175-C178 PolarHBondContact O-N 3.22Å; D175-R448 PolarHBondContact O-NH2 2.81Å; D175-R448 IonicContact OD1-CZ 3.55Å; D175-R448 IonicContact OD1-NE 2.94Å; D175-R448 IonicContact OD1-NH2 3.93Å; D175-R448 PolarHBondContact OD1-NH2 3.35Å
176H95.3Very high96.2Very high77 Ų7733.1 Ų33.136%0.35618%0.176SC..Hα-helixtrans-73.5-22.3-179.8-70.3-157.6000112.7D109 P172 L174 C178 Y257D109-H176 IonicContact OD2-CD2 2.72Å; D109-H176 IonicContact OD2-CE1 2.73Å; D109-H176 IonicContact OD2-NE2 3.87Å; D109-H176 PolarHBondContact OD2-NE2 3.16Å; P172-H176 WeakPolarHBondContact O-CB 3.44Å; P172-H176 PolarHBondContact O-CD2 2.9Å; P172-H176 VanDerWaalsContact O-CG 3.27Å; P172-H176 PolarHBondContact O-N 2.71Å; L174-H176 PolarHBondContact O-N 3.22Å; H176-C178 PolarHBondContact O-N 2.86Å; H176-Y257 AromaticContact CE1-CE1 3.58Å; H176-Y257 AromaticContact ND1-CE1 3.83Å
177N95.7Very high95.9Very high120 Ų12035.3 Ų35.364%0.64219%0.187SC*.THydrogen-bonded Turntrans-83.97.9168-74.2-57.5000113.2D173 L174 D175 F463D173-N177 WeakPolarHBondContact O-CB 3.48Å; D173-N177 PolarHBondContact O-N 3.14Å; D173-N177 PolarHBondContact O-ND2 2.96Å; L174-N177 PolarHBondContact O-N 3.1Å; D175-N177 VanDerWaalsContact C-N 3.29Å; D175-N177 PolarHBondContact O-N 3.5Å; N177-F463 WeakPolarHBondContact O-CE2 3.5Å; N177-F463 WeakPolarHBondContact O-CZ 3.47Å
178C95.6Very high95.7Very high2 Ų243.1 Ų43.11%0.01422%0.221CC..  trans-132.9106.8-174.1-149.40000113L174 D175 H176 E180 E187 R448 C460L174-C178 WeakPolarHBondContact O-CB 3.23Å; L174-C178 PolarHBondContact O-N 3.24Å; D175-C178 CarbonylContact O-C 3.46Å; D175-C178 WeakPolarHBondContact O-CA 3.35Å; D175-C178 WeakPolarHBondContact O-CB 3.47Å; D175-C178 PolarHBondContact O-N 3.22Å; H176-C178 PolarHBondContact O-N 2.86Å; C178-E180 PolarHBondContact O-N 3.02Å; C178-E187 HydrophobicContact CB-CG 4.27Å; C178-R448 PolarHBondContact O-NE 3.07Å; C178-C460 WeakPolarHBondContact CA-SG 3.34Å; C178-C460 HydrophobicContact CB-CB 4.34Å; C178-C460 WeakPolarHBondContact CB-SG 3.41Å; C178-C460 WeakPolarHBondContact SG-CA 3.47Å; C178-C460 WeakPolarHBondContact SG-CB 3.45Å; C178-C460 CovalentContact SG-SG 2.03Å; C178-C460 PolarHBondContact SG-SG 3.34Å
179W96.4Very high95.6Very high4 Ų444.3 Ų44.32%0.01523%0.225CC..  trans-96.388.5173.2-157.1-93.3000110.6H446 R448 S451 G462 F463 L466W179-H446 AromaticContact CH2-CE1 3.62Å; W179-H446 AromaticContact CH2-ND1 3.97Å; W179-H446 AromaticContact CH2-NE2 3.62Å; W179-H446 AromaticContact CZ3-CE1 3.61Å; W179-H446 AromaticContact CZ3-NE2 3.56Å; W179-R448 HydrophobicContact CD2-CG 3.76Å; W179-R448 HydrophobicContact CE3-CG 3.69Å; W179-R448 HydrophobicContact CG-CG 4.45Å; W179-R448 HydrophobicContact CH2-CG 3.86Å; W179-R448 HydrophobicContact CZ2-CG 3.93Å; W179-R448 HydrophobicContact CZ3-CG 3.74Å; W179-S451 WeakPolarHBondContact CZ2-OG 3.44Å; W179-S451 PolarHBondContact NE1-OG 2.86Å; W179-G462 WeakPolarHBondContact O-CA 3.37Å; W179-G462 PolarHBondContact O-N 3.17Å; W179-F463 HydrophobicContact CB-CD1 3.97Å; W179-F463 HydrophobicContact CB-CD2 4.19Å; W179-F463 HydrophobicContact CB-CE1 4.04Å; W179-F463 HydrophobicContact CB-CE2 4.26Å; W179-F463 HydrophobicContact CB-CG 4.05Å; W179-F463 HydrophobicContact CB-CZ 4.19Å; W179-L466 HydrophobicContact CD2-CB 3.87Å; W179-L466 HydrophobicContact CE3-CB 4.29Å; W179-L466 HydrophobicContact CE3-CD1 4.27Å; W179-L466 HydrophobicContact CE3-CD2 4.19Å; W179-L466 HydrophobicContact CE3-CG 4.48Å; W179-L466 HydrophobicContact CG-CB 4.21Å; W179-L466 HydrophobicContact CH2-CD1 3.6Å; W179-L466 HydrophobicContact CZ2-CB 4.21Å; W179-L466 HydrophobicContact CZ2-CD1 3.86Å; W179-L466 HydrophobicContact CZ3-CD1 3.83Å; W179-L466 HydrophobicContact CZ3-CD2 4.37Å
180E96.5Very high95.6Very high4 Ų447 Ų472%0.01924%0.243CC..  trans-135177.3179.169.3-175.7168.600112H110 C178 M185 S186 R448 I452 G459H110-E180 PolarHBondContact CE1-O 3.06Å; H110-E180 PolarHBondContact NE2-O 3.47Å; C178-E180 PolarHBondContact O-N 3.02Å; E180-M185 VanDerWaalsContact OE1-CA 3.24Å; E180-M185 WeakPolarHBondContact OE1-CA 3.41Å; E180-S186 PolarHBondContact OE1-N 2.91Å; E180-S186 PolarHBondContact OE2-OG 3.16Å; E180-R448 WeakPolarHBondContact O-CB 3.44Å; E180-I452 VanDerWaalsContact C-CD1 3.42Å; E180-G459 VanDerWaalsContact CB-O 3.27Å; E180-G459 WeakPolarHBondContact CB-O 3.29Å
181R96.7Very high95.6Very high29 Ų2948.9 Ų48.911%0.10925%0.252CS..  trans-86.6153.2175.6-72.7168.550.8-164.48.2111E183 T184 M185 I452 A454R181-E183 IonicContact CZ-OE2 3.81Å; R181-E183 IonicContact NE-OE2 3.34Å; R181-E183 PolarHBondContact NE-OE2 2.88Å; R181-E183 IonicContact NH2-OE2 3.5Å; R181-E183 PolarHBondContact NH2-OE2 3.12Å; R181-E183 PolarHBondContact O-N 3.38Å; R181-T184 PolarHBondContact N-OG1 2.92Å; R181-T184 PolarHBondContact O-N 2.99Å; R181-T184 PolarHBondContact O-OG1 3.41Å; R181-M185 PolarHBondContact O-N 2.89Å; R181-I452 HydrophobicContact CG-CB 3.81Å; R181-I452 HydrophobicContact CG-CD1 4.05Å; R181-I452 HydrophobicContact CG-CG2 3.73Å; R181-A454 PolarHBondContact NH1-O 3.47Å; R181-A454 PolarHBondContact NH2-O 3.3Å; R181-A454 VanDerWaalsContact NH2-O 3.11Å
182P96.6Very high95.7Very high5 Ų548.1 Ų48.13%0.03225%0.249CC..G310 helixtrans-60.9-34.5177.620.9-28.6000111.9S88 Y105 H110 T184 M185S88-P182 VanDerWaalsContact CB-C 3.48Å; S88-P182 WeakPolarHBondContact CB-O 3.25Å; Y105-P182 HydrophobicContact CD2-CB 4.23Å; Y105-P182 HydrophobicContact CE2-CB 3.49Å; Y105-P182 VanDerWaalsContact CE2-CB 3.49Å; Y105-P182 HydrophobicContact CE2-CG 4.31Å; H110-P182 VanDerWaalsContact NE2-CD 3.35Å; H110-P182 WeakPolarHBondContact NE2-CD 3.17Å; P182-T184 PolarHBondContact O-N 3.17Å; P182-M185 HydrophobicContact CB-CE 4.38Å; P182-M185 VanDerWaalsContact O-CE 3.26Å; P182-M185 WeakPolarHBondContact O-CE 3.28Å; P182-M185 WeakPolarHBondContact O-CG 3.32Å
183E96.2Very high95.8Very high43 Ų4350.6 Ų50.620%0.20126%0.26CS..G310 helixtrans-70.2-16.8179.3-60.278.9-159.600113.8R85 G86 R181R85-E183 IonicContact CZ-OE1 3.62Å; R85-E183 IonicContact NE-OE1 2.81Å; R85-E183 PolarHBondContact NE-OE1 2.77Å; R85-E183 IonicContact NH2-OE1 3.54Å; G86-E183 PolarHBondContact N-OE1 2.95Å; R181-E183 IonicContact CZ-OE2 3.81Å; R181-E183 IonicContact NE-OE2 3.34Å; R181-E183 PolarHBondContact NE-OE2 2.88Å; R181-E183 IonicContact NH2-OE2 3.5Å; R181-E183 PolarHBondContact NH2-OE2 3.12Å; R181-E183 PolarHBondContact O-N 3.38Å
184T94.6Very high96Very high51 Ų5147.5 Ų47.531%0.31324%0.243SC..G310 helixtrans-116.215-176.865.20000112.7R181 P182 S186R181-T184 PolarHBondContact N-OG1 2.92Å; R181-T184 PolarHBondContact O-N 2.99Å; R181-T184 PolarHBondContact O-OG1 3.41Å; P182-T184 PolarHBondContact O-N 3.17Å; T184-S186 PolarHBondContact O-N 3.47Å
185M94.1Very high96.1Very high40 Ų4046 Ų4620%0.19724%0.235CC..  trans-53.1128.2-179.5-78-171.9-72.900111.7A89 Y105 H110 E180 R181 P182 R189A89-M185 HydrophobicContact CB-CE 3.93Å; Y105-M185 HydrophobicContact CE1-CE 3.84Å; Y105-M185 WeakPolarHBondContact OH-CE 3.09Å; H110-M185 HydrophobicContact CB-CE 4.21Å; H110-M185 HydrophobicContact CB-CG 4.47Å; H110-M185 HydrophobicContact CB-SD 3.29Å; H110-M185 WeakPolarHBondContact CB-SD 3.02Å; E180-M185 VanDerWaalsContact OE1-CA 3.24Å; E180-M185 WeakPolarHBondContact OE1-CA 3.41Å; R181-M185 PolarHBondContact O-N 2.89Å; P182-M185 HydrophobicContact CB-CE 4.38Å; P182-M185 VanDerWaalsContact O-CE 3.26Å; P182-M185 WeakPolarHBondContact O-CE 3.28Å; P182-M185 WeakPolarHBondContact O-CG 3.32Å; M185-R189 PolarHBondContact SD-NH1 3.17Å
186S89.2Confident96.2Very high79 Ų7948.3 Ų48.355%0.55225%0.25SS*.  trans-118.6-17.5-177.657.10000113.6E180 T184E180-S186 PolarHBondContact OE1-N 2.91Å; E180-S186 PolarHBondContact OE2-OG 3.16Å; T184-S186 PolarHBondContact O-N 3.47Å
187E92Very high96.3Very high74 Ų7453.7 Ų53.735%0.34627%0.273SS..SBendtrans-71.9159.5-179.5-64.6-54.5132.200113.3L174 C178L174-E187 HydrophobicContact CB-CB 4.44Å; C178-E187 HydrophobicContact CB-CG 4.27Å
188K94.6Very high96.4Very high171 Ų17149.6 Ų49.674%0.74325%0.253SS*.  trans-66.4136.2173.9-71.4-176.4-179.7177.30110.1L174 P190L174-K188 HydrophobicContact CD1-CB 4.31Å; K188-P190 VanDerWaalsContact C-CD 3.45Å; K188-P190 WeakPolarHBondContact O-CD 3.28Å
189R97.2Very high96.5Very high41 Ų4150.9 Ų50.916%0.15526%0.262CS..  trans-115.474177.9-60.8178.759.973.74.2110.9D92 H110 V169 M185D92-R189 WeakPolarHBondContact OD1-CD 3.36Å; D92-R189 IonicContact OD1-CZ 3.5Å; D92-R189 IonicContact OD1-NE 3.81Å; D92-R189 PolarHBondContact OD1-NE 3.36Å; D92-R189 IonicContact OD1-NH2 3.31Å; D92-R189 IonicContact OD2-CZ 2.79Å; D92-R189 IonicContact OD2-NE 3.79Å; D92-R189 PolarHBondContact OD2-NE 3.49Å; D92-R189 IonicContact OD2-NH2 2.84Å; D92-R189 PolarHBondContact OD2-NH2 3.13Å; H110-R189 VanDerWaalsContact O-CZ 3.32Å; H110-R189 PolarHBondContact O-NH1 3.44Å; H110-R189 PolarHBondContact O-NH2 3.38Å; V169-R189 HydrophobicContact CG1-CB 4.4Å; M185-R189 PolarHBondContact SD-NH1 3.17Å
190P97.9Very high96.7Very high59 Ų5950.8 Ų50.838%0.38326%0.262SS..  trans-65.5165.2-179.430.1-36.6000111.8G170 D171 K188G170-P190 PolarHBondContact N-O 3.16Å; D171-P190 HydrophobicContact CB-CG 3.85Å; K188-P190 VanDerWaalsContact C-CD 3.45Å; K188-P190 WeakPolarHBondContact O-CD 3.28Å
191L98.4Very high96.8Very high39 Ų3950.6 Ų50.620%0.20426%0.261CS..EExtended strand (participates in β ladder)trans-112.3130.6-178.4-56.7178.4000109.9A96 L100 Y166 V169A96-L191 HydrophobicContact CB-CD1 3.6Å; L100-L191 HydrophobicContact CD1-CD1 4.43Å; L100-L191 HydrophobicContact CD1-CD2 3.89Å; Y166-L191 HydrophobicContact CD1-CB 3.79Å; Y166-L191 HydrophobicContact CD1-CD1 4.29Å; Y166-L191 HydrophobicContact CE1-CB 3.76Å; Y166-L191 HydrophobicContact CE1-CD1 3.92Å; Y166-L191 HydrophobicContact CE1-CG 4.44Å; V169-L191 HydrophobicContact CB-CD2 4.17Å; V169-L191 HydrophobicContact CG1-CD2 3.75Å; V169-L191 HydrophobicContact CG2-CD2 3.76Å
192T98.4Very high96.9Very high27 Ų2749.3 Ų49.317%0.16626%0.256CS..EExtended strand (participates in β ladder)trans-109.9135.4170.6-52.90000108.9Y166 I167 Q168 Y251Y166-T192 CarbonylContact C-O 3.4Å; Y166-T192 WeakPolarHBondContact CA-O 3.37Å; I167-T192 HydrophobicContact CD1-CG2 4.11Å; I167-T192 HydrophobicContact CG1-CG2 3.97Å; I167-T192 PolarHBondContact N-O 2.98Å; Q168-T192 PolarHBondContact N-O 2.83Å; Q168-T192 PolarHBondContact O-N 2.74Å; T192-Y251 HydrophobicContact CG2-CD1 4.01Å; T192-Y251 HydrophobicContact CG2-CD2 3.86Å; T192-Y251 HydrophobicContact CG2-CE1 3.87Å; T192-Y251 HydrophobicContact CG2-CE2 3.7Å; T192-Y251 HydrophobicContact CG2-CG 4.02Å
193Q98.5Very high97Very high58 Ų5849.3 Ų49.327%0.27126%0.256SS..EExtended strand (participates in β ladder)trans-130.7150.7178.964.2172.64.500111.2V164 F165 Y166 Y251V164-Q193 HydrophobicContact CG1-CB 4.5Å; F165-Q193 CarbonylContact O-C 3.53Å; F165-Q193 WeakPolarHBondContact O-CA 3.4Å; F165-Q193 WeakPolarHBondContact O-CB 3.45Å; Y166-Q193 HydrophobicContact CD1-CB 3.92Å; Y166-Q193 HydrophobicContact CD2-CB 4.43Å; Y166-Q193 HydrophobicContact CE1-CB 4.02Å; Y166-Q193 HydrophobicContact CE2-CB 4.47Å; Y166-Q193 HydrophobicContact CG-CB 4.16Å; Y166-Q193 PolarHBondContact OH-OE1 3.14Å; Q193-Y251 WeakPolarHBondContact O-CE2 3.47Å; Q193-Y251 PolarHBondContact O-OH 3.07Å
194I98.8Very high97.1Very high0 Ų047.3 Ų47.30%025%0.247CC..EExtended strand (participates in β ladder)trans-99.5150164.455.7172.4000109.7V164 F165 I167 S198 G200 A204 F239 A247 Y251V164-I194 WeakPolarHBondContact CA-O 3.36Å; F165-I194 HydrophobicContact CB-CD1 4.14Å; F165-I194 HydrophobicContact CB-CG1 3.83Å; F165-I194 HydrophobicContact CD1-CD1 4.28Å; F165-I194 PolarHBondContact N-O 2.89Å; F165-I194 VanDerWaalsContact N-O 3.08Å; F165-I194 WeakPolarHBondContact O-CG1 3.47Å; F165-I194 PolarHBondContact O-N 2.79Å; I167-I194 HydrophobicContact CD1-CG2 3.92Å; I167-I194 HydrophobicContact CG1-CG2 4.45Å; I167-I194 HydrophobicContact CG2-CB 4.5Å; I167-I194 HydrophobicContact CG2-CD1 3.95Å; I167-I194 HydrophobicContact CG2-CG1 3.77Å; I167-I194 HydrophobicContact CG2-CG2 4.09Å; I194-S198 CarbonylContact C-O 3.11Å; I194-S198 WeakPolarHBondContact CA-O 3.24Å; I194-S198 VanDerWaalsContact CB-O 3.25Å; I194-S198 WeakPolarHBondContact CB-O 3.41Å; I194-G200 WeakPolarHBondContact CD1-O 3.44Å; I194-A204 HydrophobicContact CD1-CB 3.8Å; I194-F239 HydrophobicContact CB-CZ 4.5Å; I194-F239 HydrophobicContact CD1-CE1 3.86Å; I194-F239 HydrophobicContact CD1-CZ 4.45Å; I194-F239 HydrophobicContact CG1-CE1 3.93Å; I194-F239 HydrophobicContact CG1-CZ 4.32Å; I194-A247 HydrophobicContact CG2-CB 4.42Å; I194-Y251 HydrophobicContact CG2-CE2 4.16Å
195N98.7Very high97.3Very high30 Ų3044.9 Ų44.916%0.1623%0.232CC..EExtended strand (participates in β ladder)trans-157.7-174.1178.861.560.4000110.9N163 V164 K197 S198N163-N195 VanDerWaalsContact O-CA 3.24Å; N163-N195 WeakPolarHBondContact O-CA 3.45Å; N163-N195 WeakPolarHBondContact O-CB 3.45Å; V164-N195 HydrophobicContact CG2-CB 4.32Å; N195-K197 PolarHBondContact O-N 3.02Å; N195-K197 WeakPolarHBondContact OD1-CA 3.49Å; N195-K197 WeakPolarHBondContact OD1-CB 3.48Å; N195-K197 PolarHBondContact OD1-N 3.08Å; N195-S198 PolarHBondContact N-O 3.24Å; N195-S198 CarbonylContact O-C 3.46Å; N195-S198 PolarHBondContact O-N 3.46Å; N195-S198 VanDerWaalsContact O-O 3.07Å; N195-S198 PolarHBondContact OD1-N 3.23Å
196T98.4Very high97.5Very high62 Ų6243 Ų4338%0.3822%0.223SC..THydrogen-bonded Turntrans-60-19.1-17863.20000115.6N163 Y243N163-T196 HydrophobicContact CB-CG2 3.59Å; T196-Y243 HydrophobicContact CG2-CD1 4.21Å; T196-Y243 HydrophobicContact CG2-CD2 4.08Å; T196-Y243 HydrophobicContact CG2-CE1 3.77Å; T196-Y243 HydrophobicContact CG2-CE2 3.61Å; T196-Y243 HydrophobicContact CG2-CG 4.34Å; T196-Y243 VanDerWaalsContact CG2-CZ 3.44Å
197K98.2Very high98Very high190 Ų19039.2 Ų39.283%0.82620%0.196SC*.THydrogen-bonded Turntrans-100.3-17.2175.7-60.6-178.7-178.9177.90113.4N195N195-K197 PolarHBondContact O-N 3.02Å; N195-K197 WeakPolarHBondContact OD1-CA 3.49Å; N195-K197 WeakPolarHBondContact OD1-CB 3.48Å; N195-K197 PolarHBondContact OD1-N 3.08Å
198S98.2Very high98.3Very high33 Ų3335.7 Ų35.723%0.23118%0.18CC..BIsolated β-bridgetrans-136.374.7-173.8-66.50000107.4I194 N195 T250I194-S198 CarbonylContact C-O 3.11Å; I194-S198 WeakPolarHBondContact CA-O 3.24Å; I194-S198 VanDerWaalsContact CB-O 3.25Å; I194-S198 WeakPolarHBondContact CB-O 3.41Å; N195-S198 PolarHBondContact N-O 3.24Å; N195-S198 CarbonylContact O-C 3.46Å; N195-S198 PolarHBondContact O-N 3.46Å; N195-S198 VanDerWaalsContact O-O 3.07Å; N195-S198 PolarHBondContact OD1-N 3.23Å; S198-T250 VanDerWaalsContact CB-CG2 3.47Å
199P98Very high98.5Very high30 Ų3027.5 Ų27.520%0.19514%0.144CC..  trans-71.3162.7-170.129.8-35.9000112.9Y243 T250P199-Y243 WeakPolarHBondContact CB-O 3.39Å; P199-T250 WeakPolarHBondContact O-CB 3.13Å; P199-T250 PolarHBondContact O-OG1 3.47Å
200G98.6Very high98.6Very high2 Ų225.6 Ų25.62%0.02114%0.137CC..  trans-167.969.9176.100000110.5I194 D202 V203 A204 G245I194-G200 WeakPolarHBondContact CD1-O 3.44Å; G200-D202 VanDerWaalsContact C-N 3.33Å; G200-D202 WeakPolarHBondContact CA-OD1 3.34Å; G200-V203 PolarHBondContact O-N 2.99Å; G200-A204 WeakPolarHBondContact O-CB 3.5Å; G200-A204 PolarHBondContact O-N 2.95Å; G200-G245 CarbonylContact C-O 3.48Å; G200-G245 WeakPolarHBondContact CA-O 3.13Å
201S98.9Very high98.7Very high0 Ų022.8 Ų22.80%012%0.119CC..Hα-helixtrans-62.6-37.9-177.1-60.60000112.8A205 A240 Y243 K244 G245S201-A205 WeakPolarHBondContact O-CB 3.49Å; S201-A205 PolarHBondContact O-N 3.43Å; S201-A240 WeakPolarHBondContact CB-O 3.47Å; S201-A240 PolarHBondContact OG-O 3.43Å; S201-Y243 PolarHBondContact OG-O 2.98Å; S201-K244 VanDerWaalsContact OG-CA 3.26Å; S201-K244 WeakPolarHBondContact OG-CA 3.21Å; S201-G245 WeakPolarHBondContact CB-O 3.42Å; S201-G245 PolarHBondContact N-O 2.9Å; S201-G245 PolarHBondContact OG-N 3.09Å; S201-G245 PolarHBondContact OG-O 3.45Å
202D98.7Very high98.7Very high1 Ų120.9 Ų20.91%0.00511%0.109CC..Hα-helixtrans-49.4-59.2171.350.7-22000110.2F115 G200 E206 L246 A247 S260 E266F115-D202 HydrophobicContact CE1-CB 4.45Å; F115-D202 HydrophobicContact CZ-CB 4.1Å; G200-D202 VanDerWaalsContact C-N 3.33Å; G200-D202 WeakPolarHBondContact CA-OD1 3.34Å; D202-E206 PolarHBondContact O-N 3.21Å; D202-L246 HydrophobicContact CB-CD2 4.14Å; D202-A247 PolarHBondContact OD1-N 3Å; D202-A247 PolarHBondContact OD2-N 2.65Å; D202-S260 WeakPolarHBondContact OD2-CB 3.18Å; D202-S260 PolarHBondContact OD2-OG 2.75Å; D202-E266 WeakPolarHBondContact O-CG 3.42Å
203V98.8Very high98.7Very high6 Ų619.6 Ų19.64%0.03610%0.101CC..Hα-helixtrans-72.7-40.6-174.8-170.90000112.2S114 F115 F165 I167 G200 A207 A247S114-V203 WeakPolarHBondContact OG-CG1 3.39Å; F115-V203 HydrophobicContact CB-CB 4.44Å; F115-V203 HydrophobicContact CB-CG1 3.96Å; F115-V203 HydrophobicContact CB-CG2 3.94Å; F115-V203 HydrophobicContact CD1-CG2 4.17Å; F115-V203 HydrophobicContact CD2-CG2 4.35Å; F115-V203 HydrophobicContact CG-CG2 3.93Å; F165-V203 HydrophobicContact CD1-CG1 4.34Å; F165-V203 HydrophobicContact CE1-CG1 4.02Å; I167-V203 HydrophobicContact CB-CG1 4.08Å; I167-V203 HydrophobicContact CG2-CB 4.14Å; I167-V203 HydrophobicContact CG2-CG1 3.58Å; G200-V203 PolarHBondContact O-N 2.99Å; V203-A207 WeakPolarHBondContact O-CB 3.49Å; V203-A207 PolarHBondContact O-N 3.31Å; V203-A247 HydrophobicContact CB-CB 4.49Å; V203-A247 HydrophobicContact CG2-CB 3.54Å
204A98.9Very high98.8Very high0 Ų016.9 Ų16.90%09%0.088CC..Hα-helixtrans-65.7-40.317800000112.3I194 G200 A207 A208 F239 A240I194-A204 HydrophobicContact CD1-CB 3.8Å; G200-A204 WeakPolarHBondContact O-CB 3.5Å; G200-A204 PolarHBondContact O-N 2.95Å; A204-A207 PolarHBondContact O-N 3.43Å; A204-A208 WeakPolarHBondContact O-CB 3.24Å; A204-A208 PolarHBondContact O-N 3.23Å; A204-F239 HydrophobicContact CB-CD1 4.11Å; A204-F239 HydrophobicContact CB-CE1 4.31Å; A204-A240 HydrophobicContact CB-CB 3.75Å
205A99Very high98.8Very high0 Ų017 Ų170%09%0.089CC..Hα-helixtrans-72.4-38.9179.200000111.6S201 A207 A208 A209 A240 E266 L267 A270S201-A205 WeakPolarHBondContact O-CB 3.49Å; S201-A205 PolarHBondContact O-N 3.43Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.11Å; A205-A208 CarbonylContact O-C 3.52Å; A205-A208 WeakPolarHBondContact O-CB 3.21Å; A205-A208 PolarHBondContact O-N 3.27Å; A205-A208 VanDerWaalsContact O-N 3.14Å; A205-A209 PolarHBondContact O-N 2.98Å; A205-A240 HydrophobicContact CB-CB 4Å; A205-E266 HydrophobicContact CB-CB 3.75Å; A205-L267 HydrophobicContact CB-CD2 4.02Å; A205-L267 HydrophobicContact CB-CG 4.46Å; A205-A270 HydrophobicContact CB-CB 4.08Å; A205-A270 VanDerWaalsContact O-CB 3.28Å; A205-A270 WeakPolarHBondContact O-CB 3.32Å
206E98.9Very high98.8Very high0 Ų016.3 Ų16.30%09%0.086CC..Hα-helixtrans-63.7-39.5172.4-178.761.4-124.300111.9F115 A118 F119 T122 D202 A208 A209 A210 E266 W269 K309F115-E206 HydrophobicContact CD2-CB 3.76Å; F115-E206 HydrophobicContact CD2-CG 3.98Å; F115-E206 HydrophobicContact CE2-CB 3.68Å; F115-E206 HydrophobicContact CE2-CG 4.09Å; A118-E206 HydrophobicContact CB-CB 4.47Å; A118-E206 HydrophobicContact CB-CG 3.74Å; F119-E206 WeakPolarHBondContact CA-OE1 3.35Å; F119-E206 HydrophobicContact CB-CG 4.19Å; F119-E206 PolarHBondContact N-OE1 2.67Å; T122-E206 WeakPolarHBondContact CB-OE1 3.45Å; T122-E206 PolarHBondContact OG1-OE1 2.76Å; D202-E206 PolarHBondContact O-N 3.21Å; E206-A208 VanDerWaalsContact C-N 3.3Å; E206-A208 PolarHBondContact O-N 3.3Å; E206-A209 WeakPolarHBondContact O-CB 3.22Å; E206-A209 PolarHBondContact O-N 2.92Å; E206-A210 WeakPolarHBondContact O-CB 3.3Å; E206-A210 PolarHBondContact O-N 3.25Å; E206-E266 HydrophobicContact CB-CG 4.27Å; E206-W269 PolarHBondContact OE2-NE1 3.32Å; E206-K309 WeakPolarHBondContact OE2-CD 3.13Å; E206-K309 WeakPolarHBondContact OE2-CE 3.41Å; E206-K309 IonicContact OE2-NZ 3.75Å; E206-K309 PolarHBondContact OE2-NZ 3.42Å
207A99Very high98.8Very high0 Ų013.5 Ų13.50%07%0.068CC..Hα-helixtrans-64-35.3172.600000112.6A118 F165 V203 A204 A205 M211 L236A118-A207 HydrophobicContact CB-CB 4.36Å; F165-A207 HydrophobicContact CD1-CB 4.46Å; F165-A207 HydrophobicContact CE1-CB 3.65Å; F165-A207 HydrophobicContact CE2-CB 4.17Å; F165-A207 HydrophobicContact CZ-CB 3.49Å; F165-A207 VanDerWaalsContact CZ-CB 3.49Å; V203-A207 WeakPolarHBondContact O-CB 3.49Å; V203-A207 PolarHBondContact O-N 3.31Å; A204-A207 PolarHBondContact O-N 3.43Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.11Å; A207-M211 HydrophobicContact CB-CE 4.47Å; A207-M211 WeakPolarHBondContact O-CE 3.19Å; A207-M211 PolarHBondContact O-N 3.09Å; A207-M211 VanDerWaalsContact O-N 3.1Å; A207-L236 HydrophobicContact CB-CD1 3.58Å
208A99Very high98.8Very high0 Ų04.7 Ų4.70%03%0.03CC..Hα-helixtrans-64.8-43.5171.500000112A204 A205 E206 M211 A212 A233 L236 F237 A270A204-A208 WeakPolarHBondContact O-CB 3.24Å; A204-A208 PolarHBondContact O-N 3.23Å; A205-A208 CarbonylContact O-C 3.52Å; A205-A208 WeakPolarHBondContact O-CB 3.21Å; A205-A208 PolarHBondContact O-N 3.27Å; A205-A208 VanDerWaalsContact O-N 3.14Å; E206-A208 VanDerWaalsContact C-N 3.3Å; E206-A208 PolarHBondContact O-N 3.3Å; A208-M211 PolarHBondContact O-N 2.95Å; A208-A212 WeakPolarHBondContact O-CB 3.41Å; A208-A212 PolarHBondContact O-N 2.72Å; A208-A233 WeakPolarHBondContact CB-O 3.3Å; A208-A233 WeakPolarHBondContact O-CB 3.42Å; A208-L236 HydrophobicContact CB-CB 3.88Å; A208-F237 HydrophobicContact CB-CB 4.05Å; A208-A270 HydrophobicContact CB-CB 4.16Å
209A99Very high98.8Very high0 Ų07.5 Ų7.50%04%0.038CC..Hα-helixtrans-58-48.8175.100000111T122 A205 E206 M211 A212 S213 W269 A270T122-A209 HydrophobicContact CG2-CB 4.17Å; A205-A209 PolarHBondContact O-N 2.98Å; E206-A209 WeakPolarHBondContact O-CB 3.22Å; E206-A209 PolarHBondContact O-N 2.92Å; A209-M211 PolarHBondContact O-N 3.25Å; A209-A212 PolarHBondContact O-N 2.87Å; A209-S213 WeakPolarHBondContact O-CB 3.22Å; A209-S213 PolarHBondContact O-N 3.43Å; A209-S213 PolarHBondContact O-OG 3.33Å; A209-S213 VanDerWaalsContact O-OG 3.06Å; A209-W269 VanDerWaalsContact CB-CD1 3.49Å; A209-W269 HydrophobicContact CB-CG 4.24Å; A209-A270 HydrophobicContact CB-CB 4.25Å
210A99Very high98.7Very high0 Ų010.9 Ų10.90%06%0.063CC..Hα-helixtrans-58.6-46.9179.700000112.7A118 A121 T122 L155 E206 S213 A214A118-A210 HydrophobicContact CB-CB 4.07Å; A118-A210 WeakPolarHBondContact O-CB 3.5Å; A121-A210 HydrophobicContact CB-CB 3.95Å; T122-A210 WeakPolarHBondContact OG1-CA 3.24Å; T122-A210 WeakPolarHBondContact OG1-CB 3.5Å; T122-A210 PolarHBondContact OG1-N 3.32Å; T122-A210 VanDerWaalsContact OG1-N 3.15Å; L155-A210 HydrophobicContact CD1-CB 3.84Å; E206-A210 WeakPolarHBondContact O-CB 3.3Å; E206-A210 PolarHBondContact O-N 3.25Å; A210-S213 PolarHBondContact O-OG 2.94Å; A210-A214 WeakPolarHBondContact O-CB 3.11Å; A210-A214 PolarHBondContact O-N 2.92Å
211M99Very high98.6Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-73.7-35.7179.6-71-172.7-81.300112.3L155 V156 A207 A208 A209 S215 L229 H232 A233 L236L155-M211 HydrophobicContact CB-CG 4.43Å; L155-M211 HydrophobicContact CB-SD 4.28Å; V156-M211 HydrophobicContact CG2-SD 3.93Å; A207-M211 HydrophobicContact CB-CE 4.47Å; A207-M211 WeakPolarHBondContact O-CE 3.19Å; A207-M211 PolarHBondContact O-N 3.09Å; A207-M211 VanDerWaalsContact O-N 3.1Å; A208-M211 PolarHBondContact O-N 2.95Å; A209-M211 PolarHBondContact O-N 3.25Å; M211-S215 WeakPolarHBondContact O-CB 3.39Å; M211-S215 PolarHBondContact O-N 3.41Å; M211-L229 HydrophobicContact CB-CB 4.37Å; M211-L229 HydrophobicContact CB-CD2 4.29Å; M211-L229 HydrophobicContact CG-CD2 3.95Å; M211-L229 HydrophobicContact SD-CD2 4.41Å; M211-H232 HydrophobicContact CE-CB 3.87Å; M211-H232 HydrophobicContact SD-CB 3.49Å; M211-H232 WeakPolarHBondContact SD-CB 3.09Å; M211-A233 HydrophobicContact CB-CB 3.9Å; M211-L236 HydrophobicContact CE-CD1 3.23Å; M211-L236 HydrophobicContact CE-CG 4.21Å
212A99Very high98.5Very high0 Ų019.6 Ų19.60%010%0.099CC..Hα-helixtrans-63.6-49.5174.100000111.1A208 A209 A214 S215 A233 W273 L274A208-A212 WeakPolarHBondContact O-CB 3.41Å; A208-A212 PolarHBondContact O-N 2.72Å; A209-A212 PolarHBondContact O-N 2.87Å; A212-A214 PolarHBondContact O-N 3.41Å; A212-S215 PolarHBondContact O-N 3Å; A212-S215 PolarHBondContact O-OG 3.26Å; A212-A233 HydrophobicContact CB-CB 3.9Å; A212-W273 HydrophobicContact CB-CB 3.84Å; A212-L274 HydrophobicContact CB-CD2 3.84Å; A212-L274 HydrophobicContact CB-CG 3.98Å
213S98.9Very high98.5Very high0 Ų023.3 Ų23.30%012%0.122CC..Hα-helixtrans-63.7-40.9178.163.90000112.1S125 A209 A210 S215 I216 V217S125-S213 VanDerWaalsContact CB-CB 3.45Å; S125-S213 WeakPolarHBondContact CB-OG 3.46Å; S125-S213 PolarHBondContact OG-OG 3.43Å; S125-S213 VanDerWaalsContact OG-OG 3.13Å; A209-S213 WeakPolarHBondContact O-CB 3.22Å; A209-S213 PolarHBondContact O-N 3.43Å; A209-S213 PolarHBondContact O-OG 3.33Å; A209-S213 VanDerWaalsContact O-OG 3.06Å; A210-S213 PolarHBondContact O-OG 2.94Å; S213-S215 VanDerWaalsContact C-N 3.34Å; S213-S215 PolarHBondContact O-N 3.23Å; S213-I216 WeakPolarHBondContact O-CB 3.5Å; S213-I216 PolarHBondContact O-N 3.29Å; S213-V217 PolarHBondContact O-N 3.29Å
214A98.9Very high98.5Very high0 Ų028.6 Ų28.60%015%0.154CC..Hα-helixtrans-67.4-33.5178.300000112.5S125 L148 T152 A210 A212 I216 V217 F218 L229S125-A214 WeakPolarHBondContact OG-CA 3.4Å; S125-A214 PolarHBondContact OG-N 2.8Å; L148-A214 HydrophobicContact CD1-CB 4.17Å; L148-A214 HydrophobicContact CD2-CB 4.18Å; L148-A214 HydrophobicContact CG-CB 4.36Å; T152-A214 HydrophobicContact CG2-CB 3.72Å; A210-A214 WeakPolarHBondContact O-CB 3.11Å; A210-A214 PolarHBondContact O-N 2.92Å; A212-A214 PolarHBondContact O-N 3.41Å; A214-I216 PolarHBondContact O-N 2.94Å; A214-V217 WeakPolarHBondContact O-CB 3.47Å; A214-V217 PolarHBondContact O-N 2.96Å; A214-V217 VanDerWaalsContact O-N 3.1Å; A214-F218 HydrophobicContact CB-CD2 4.43Å; A214-F218 HydrophobicContact CB-CE2 4.48Å; A214-F218 VanDerWaalsContact O-CD2 3.24Å; A214-F218 WeakPolarHBondContact O-CD2 3.3Å; A214-F218 PolarHBondContact O-N 3.21Å; A214-L229 HydrophobicContact CB-CD1 3.87Å
215S98.9Very high98.5Very high3 Ų329.8 Ų29.82%0.02116%0.159CC..Hα-helixtrans-57-40.3175.6760000111.4M211 A212 S213 V217 F218 K219 S226M211-S215 WeakPolarHBondContact O-CB 3.39Å; M211-S215 PolarHBondContact O-N 3.41Å; A212-S215 PolarHBondContact O-N 3Å; A212-S215 PolarHBondContact O-OG 3.26Å; S213-S215 VanDerWaalsContact C-N 3.34Å; S213-S215 PolarHBondContact O-N 3.23Å; S215-V217 PolarHBondContact O-N 3.02Å; S215-F218 PolarHBondContact O-N 3.49Å; S215-K219 WeakPolarHBondContact O-CB 3.4Å; S215-K219 PolarHBondContact O-N 2.65Å; S215-S226 WeakPolarHBondContact CB-O 3.38Å; S215-S226 PolarHBondContact O-OG 2.73Å
216I98.8Very high98.5Very high16 Ų1630 Ų308%0.08216%0.16CC..Hα-helixtrans-62.4-45.7176.3-52.3170.3000110.8L129 S213 A214 F218 K219 W273 H276 A277 F527L129-I216 HydrophobicContact CD1-CB 4.15Å; L129-I216 HydrophobicContact CD1-CD1 4.24Å; L129-I216 HydrophobicContact CD1-CG2 4.12Å; L129-I216 HydrophobicContact CD2-CB 3.99Å; L129-I216 HydrophobicContact CD2-CG2 3.41Å; L129-I216 VanDerWaalsContact CD2-CG2 3.41Å; L129-I216 HydrophobicContact CG-CG2 4.42Å; S213-I216 WeakPolarHBondContact O-CB 3.5Å; S213-I216 PolarHBondContact O-N 3.29Å; A214-I216 PolarHBondContact O-N 2.94Å; I216-F218 VanDerWaalsContact C-N 3.32Å; I216-F218 PolarHBondContact O-N 2.54Å; I216-K219 WeakPolarHBondContact O-CB 3.21Å; I216-K219 PolarHBondContact O-N 2.98Å; I216-W273 HydrophobicContact CD1-CE3 4.15Å; I216-W273 HydrophobicContact CD1-CZ3 4.39Å; I216-H276 HydrophobicContact CD1-CB 3.77Å; I216-A277 HydrophobicContact CD1-CB 4.16Å; I216-A277 HydrophobicContact CG1-CB 3.85Å; I216-F527 HydrophobicContact CD1-CB 4.46Å; I216-F527 HydrophobicContact CG2-CB 3.93Å
217V98.6Very high98.5Very high3 Ų333.9 Ų33.92%0.01818%0.181CC..Hα-helixtrans-59.9-42.6179.81730000111.8I128 L129 L145 L148 S213 A214 S215 R221I128-V217 HydrophobicContact CB-CG1 4.38Å; I128-V217 HydrophobicContact CB-CG2 4.2Å; I128-V217 HydrophobicContact CD1-CG1 4.3Å; I128-V217 HydrophobicContact CG2-CG1 3.67Å; I128-V217 HydrophobicContact CG2-CG2 4.12Å; L129-V217 HydrophobicContact CD1-CG2 4.31Å; L129-V217 HydrophobicContact CD2-CG2 3.85Å; L129-V217 HydrophobicContact CG-CG2 3.73Å; L145-V217 HydrophobicContact CD2-CG1 3.42Å; L145-V217 VanDerWaalsContact CD2-CG1 3.42Å; L148-V217 HydrophobicContact CD2-CB 4.15Å; L148-V217 HydrophobicContact CD2-CG1 3.96Å; L148-V217 HydrophobicContact CD2-CG2 4.2Å; S213-V217 PolarHBondContact O-N 3.29Å; A214-V217 WeakPolarHBondContact O-CB 3.47Å; A214-V217 PolarHBondContact O-N 2.96Å; A214-V217 VanDerWaalsContact O-N 3.1Å; S215-V217 PolarHBondContact O-N 3.02Å; V217-R221 PolarHBondContact O-NH1 2.88Å; V217-R221 VanDerWaalsContact O-NH1 3.17Å
218F98.7Very high98.5Very high5 Ų535.7 Ų35.72%0.02219%0.194CC..Hα-helixtrans-87.9-10.4-176.9-69.3-66.9000114.3L145 L148 R149 A214 S215 I216 S220 R221 D222 Y225 L229L145-F218 HydrophobicContact CD2-CE1 4.03Å; L145-F218 HydrophobicContact CD2-CZ 4.32Å; L148-F218 HydrophobicContact CD2-CE2 3.8Å; L148-F218 HydrophobicContact CD2-CZ 4.22Å; L148-F218 HydrophobicContact CG-CE2 3.98Å; L148-F218 HydrophobicContact CG-CZ 4.34Å; R149-F218 HydrophobicContact CB-CZ 3.86Å; A214-F218 HydrophobicContact CB-CD2 4.43Å; A214-F218 HydrophobicContact CB-CE2 4.48Å; A214-F218 VanDerWaalsContact O-CD2 3.24Å; A214-F218 WeakPolarHBondContact O-CD2 3.3Å; A214-F218 PolarHBondContact O-N 3.21Å; S215-F218 PolarHBondContact O-N 3.49Å; I216-F218 VanDerWaalsContact C-N 3.32Å; I216-F218 PolarHBondContact O-N 2.54Å; F218-S220 VanDerWaalsContact C-N 3.28Å; F218-S220 PolarHBondContact O-N 3.26Å; F218-S220 VanDerWaalsContact O-N 3.08Å; F218-R221 PolarHBondContact O-N 2.92Å; F218-D222 CarbonylContact O-C 3.46Å; F218-D222 PolarHBondContact O-N 3.48Å; F218-Y225 HydrophobicContact CB-CD1 4.24Å; F218-Y225 HydrophobicContact CD1-CD1 4.47Å; F218-Y225 AromaticContact CD2-CD1 3.88Å; F218-Y225 HydrophobicContact CD2-CD1 3.88Å; F218-Y225 AromaticContact CD2-CE1 3.81Å; F218-Y225 HydrophobicContact CD2-CE1 3.81Å; F218-Y225 HydrophobicContact CE2-CD1 4.39Å; F218-Y225 AromaticContact CE2-CE1 3.92Å; F218-Y225 HydrophobicContact CE2-CE1 3.92Å; F218-Y225 AromaticContact CG-CD1 3.94Å; F218-Y225 HydrophobicContact CG-CD1 3.94Å; F218-Y225 HydrophobicContact CG-CE1 4.29Å; F218-Y225 HydrophobicContact CZ-CE1 4.49Å; F218-L229 HydrophobicContact CD2-CD1 3.91Å
219K98Very high98.5Very high91 Ų9135.7 Ų35.740%0.39619%0.194SC..THydrogen-bonded Turntrans-45.4-46.7-175.8-170.3174.7-177.3179.10114.4S215 I216 T223 T528S215-K219 WeakPolarHBondContact O-CB 3.4Å; S215-K219 PolarHBondContact O-N 2.65Å; I216-K219 WeakPolarHBondContact O-CB 3.21Å; I216-K219 PolarHBondContact O-N 2.98Å; K219-T223 PolarHBondContact O-OG1 2.83Å; K219-T223 VanDerWaalsContact O-OG1 3.09Å; K219-T528 PolarHBondContact NZ-OXT 3.02Å
220S95.5Very high98.5Very high102 Ų10237.1 Ų37.171%0.71320%0.201SC*.THydrogen-bonded Turntrans-92-9.3-179.460.70000114.9F218F218-S220 VanDerWaalsContact C-N 3.28Å; F218-S220 PolarHBondContact O-N 3.26Å; F218-S220 VanDerWaalsContact O-N 3.08Å
221R96.7Very high98.5Very high131 Ų13142.3 Ų42.349%0.49423%0.226SC..THydrogen-bonded Turntrans-102.2-36.5-175.6-68.4174.3173.4736.4112.6V217 F218V217-R221 PolarHBondContact O-NH1 2.88Å; V217-R221 VanDerWaalsContact O-NH1 3.17Å; F218-R221 PolarHBondContact O-N 2.92Å
222D98.2Very high98.5Very high53 Ų5344.2 Ų44.228%0.28323%0.234SC..  trans-157.585.3-176.5-176.1-10.1000108.5R149 F218 T224 Y225 S226R149-D222 IonicContact CZ-OD2 3.44Å; R149-D222 IonicContact NH1-OD2 3.26Å; R149-D222 PolarHBondContact NH1-OD2 3.35Å; R149-D222 IonicContact NH2-OD2 2.67Å; R149-D222 PolarHBondContact NH2-OD2 2.85Å; F218-D222 CarbonylContact O-C 3.46Å; F218-D222 PolarHBondContact O-N 3.48Å; D222-T224 VanDerWaalsContact C-N 3.34Å; D222-T224 PolarHBondContact O-N 2.93Å; D222-Y225 PolarHBondContact O-N 3.37Å; D222-Y225 WeakPolarHBondContact OD1-CB 3.15Å; D222-Y225 PolarHBondContact OD1-N 3.06Å; D222-Y225 VanDerWaalsContact OD1-N 3.1Å; D222-Y225 WeakPolarHBondContact OD2-CB 3.34Å; D222-S226 WeakPolarHBondContact O-CB 3.36Å; D222-S226 PolarHBondContact O-N 3.44Å
223T98.3Very high98.5Very high80 Ų8044.2 Ų44.249%0.49123%0.234SC..Hα-helixtrans-62.4-39.6-173.9-53.40000112.1K219 Y225 S226 D227K219-T223 PolarHBondContact O-OG1 2.83Å; K219-T223 VanDerWaalsContact O-OG1 3.09Å; T223-Y225 PolarHBondContact O-N 3.29Å; T223-S226 WeakPolarHBondContact O-CB 3.26Å; T223-S226 PolarHBondContact O-N 2.67Å; T223-D227 VanDerWaalsContact O-CG 3.26Å; T223-D227 PolarHBondContact O-N 2.77Å
224T98.7Very high98.5Very high116 Ų11647.1 Ų47.171%0.71225%0.248SC*.Hα-helixtrans-62.3-43.3177.6-55.10000111.6D222 D227 S228D222-T224 VanDerWaalsContact C-N 3.34Å; D222-T224 PolarHBondContact O-N 2.93Å; T224-D227 PolarHBondContact O-N 2.92Å; T224-S228 PolarHBondContact O-N 3.43Å; T224-S228 VanDerWaalsContact O-N 3.09Å
225Y98.8Very high98.5Very high25 Ų2551.1 Ų51.110%0.09827%0.265CS..Hα-helixtrans-67.9-42.1176.5-173.2-115.8000112.1R149 T152 D153 F218 D222 T223 D227 S228 L229R149-Y225 HydrophobicContact CG-CE1 4.28Å; R149-Y225 VanDerWaalsContact CZ-CD1 3.49Å; T152-Y225 WeakPolarHBondContact CB-OH 3.49Å; T152-Y225 PolarHBondContact OG1-OH 2.8Å; D153-Y225 PolarHBondContact N-OH 2.64Å; D153-Y225 WeakPolarHBondContact OD1-CE2 3.43Å; D153-Y225 VanDerWaalsContact OD1-CZ 3.3Å; D153-Y225 PolarHBondContact OD1-OH 2.98Å; F218-Y225 HydrophobicContact CB-CD1 4.24Å; F218-Y225 HydrophobicContact CD1-CD1 4.47Å; F218-Y225 AromaticContact CD2-CD1 3.88Å; F218-Y225 HydrophobicContact CD2-CD1 3.88Å; F218-Y225 AromaticContact CD2-CE1 3.81Å; F218-Y225 HydrophobicContact CD2-CE1 3.81Å; F218-Y225 HydrophobicContact CE2-CD1 4.39Å; F218-Y225 AromaticContact CE2-CE1 3.92Å; F218-Y225 HydrophobicContact CE2-CE1 3.92Å; F218-Y225 AromaticContact CG-CD1 3.94Å; F218-Y225 HydrophobicContact CG-CD1 3.94Å; F218-Y225 HydrophobicContact CG-CE1 4.29Å; F218-Y225 HydrophobicContact CZ-CE1 4.49Å; D222-Y225 PolarHBondContact O-N 3.37Å; D222-Y225 WeakPolarHBondContact OD1-CB 3.15Å; D222-Y225 PolarHBondContact OD1-N 3.06Å; D222-Y225 VanDerWaalsContact OD1-N 3.1Å; D222-Y225 WeakPolarHBondContact OD2-CB 3.34Å; T223-Y225 PolarHBondContact O-N 3.29Å; Y225-D227 VanDerWaalsContact C-N 3.33Å; Y225-D227 PolarHBondContact O-N 3.42Å; Y225-S228 WeakPolarHBondContact O-CB 3.37Å; Y225-S228 PolarHBondContact O-N 3.42Å; Y225-L229 HydrophobicContact CD1-CD1 3.69Å; Y225-L229 HydrophobicContact CD1-CG 4.23Å; Y225-L229 HydrophobicContact CE1-CD1 3.5Å; Y225-L229 VanDerWaalsContact CE1-CD1 3.5Å; Y225-L229 HydrophobicContact CE1-CD2 4.28Å; Y225-L229 HydrophobicContact CE1-CG 4.03Å; Y225-L229 HydrophobicContact CG-CD1 4.46Å; Y225-L229 WeakPolarHBondContact O-CG 3.3Å; Y225-L229 PolarHBondContact O-N 3.05Å
226S98.8Very high98.5Very high5 Ų551 Ų514%0.03526%0.264CS..Hα-helixtrans-53.4-49172.7165.40000112S215 D222 T223 S228 L229 L230S215-S226 WeakPolarHBondContact CB-O 3.38Å; S215-S226 PolarHBondContact O-OG 2.73Å; D222-S226 WeakPolarHBondContact O-CB 3.36Å; D222-S226 PolarHBondContact O-N 3.44Å; T223-S226 WeakPolarHBondContact O-CB 3.26Å; T223-S226 PolarHBondContact O-N 2.67Å; S226-S228 VanDerWaalsContact C-N 3.31Å; S226-S228 PolarHBondContact O-N 3.34Å; S226-L229 PolarHBondContact O-N 2.91Å; S226-L230 WeakPolarHBondContact O-CB 3.48Å; S226-L230 PolarHBondContact O-N 3.15Å
227D98.8Very high98.5Very high81 Ų8150.8 Ų50.843%0.43326%0.263SS..Hα-helixtrans-65.5-34.8-180-68.5-15.4000112.1T223 T224 Y225 Q231T223-D227 VanDerWaalsContact O-CG 3.26Å; T223-D227 PolarHBondContact O-N 2.77Å; T224-D227 PolarHBondContact O-N 2.92Å; Y225-D227 VanDerWaalsContact C-N 3.33Å; Y225-D227 PolarHBondContact O-N 3.42Å; D227-Q231 VanDerWaalsContact O-CG 3.3Å; D227-Q231 WeakPolarHBondContact O-CG 3.41Å; D227-Q231 PolarHBondContact O-N 3.22Å; D227-Q231 VanDerWaalsContact O-N 3.13Å; D227-Q231 PolarHBondContact O-NE2 3.03Å
228S98.8Very high98.5Very high38 Ų3854.3 Ų54.327%0.26628%0.284SS..Hα-helixtrans-64.4-51173.6-173.80000111.4T224 Y225 S226 L230 Q231 H232T224-S228 PolarHBondContact O-N 3.43Å; T224-S228 VanDerWaalsContact O-N 3.09Å; Y225-S228 WeakPolarHBondContact O-CB 3.37Å; Y225-S228 PolarHBondContact O-N 3.42Å; S226-S228 VanDerWaalsContact C-N 3.31Å; S226-S228 PolarHBondContact O-N 3.34Å; S228-L230 VanDerWaalsContact C-N 3.3Å; S228-L230 PolarHBondContact O-N 3.47Å; S228-Q231 PolarHBondContact O-N 3.06Å; S228-H232 PolarHBondContact O-CD2 3.08Å; S228-H232 VanDerWaalsContact O-CD2 3.29Å; S228-H232 PolarHBondContact O-N 3.13Å
229L98.9Very high98.5Very high0 Ų054.1 Ų54.10%028%0.284CS..Hα-helixtrans-55.9-46.1177.8-70.2172.5000111.5T152 V156 M211 A214 F218 Y225 S226 Q231 H232 A233T152-L229 HydrophobicContact CG2-CD2 4.3Å; V156-L229 HydrophobicContact CG2-CD2 3.72Å; M211-L229 HydrophobicContact CB-CB 4.37Å; M211-L229 HydrophobicContact CB-CD2 4.29Å; M211-L229 HydrophobicContact CG-CD2 3.95Å; M211-L229 HydrophobicContact SD-CD2 4.41Å; A214-L229 HydrophobicContact CB-CD1 3.87Å; F218-L229 HydrophobicContact CD2-CD1 3.91Å; Y225-L229 HydrophobicContact CD1-CD1 3.69Å; Y225-L229 HydrophobicContact CD1-CG 4.23Å; Y225-L229 HydrophobicContact CE1-CD1 3.5Å; Y225-L229 VanDerWaalsContact CE1-CD1 3.5Å; Y225-L229 HydrophobicContact CE1-CD2 4.28Å; Y225-L229 HydrophobicContact CE1-CG 4.03Å; Y225-L229 HydrophobicContact CG-CD1 4.46Å; Y225-L229 WeakPolarHBondContact O-CG 3.3Å; Y225-L229 PolarHBondContact O-N 3.05Å; S226-L229 PolarHBondContact O-N 2.91Å; L229-Q231 PolarHBondContact O-N 3.06Å; L229-H232 PolarHBondContact O-N 2.85Å; L229-A233 WeakPolarHBondContact O-CB 3.35Å; L229-A233 PolarHBondContact O-N 2.86Å
230L98.9Very high98.6Very high31 Ų3149.9 Ų49.916%0.16227%0.265CS..Hα-helixtrans-62.8-41.1179.8-175.856.6000112.3S226 S228 A233 Q234 L274 A277 T278S226-L230 WeakPolarHBondContact O-CB 3.48Å; S226-L230 PolarHBondContact O-N 3.15Å; S228-L230 VanDerWaalsContact C-N 3.3Å; S228-L230 PolarHBondContact O-N 3.47Å; L230-A233 WeakPolarHBondContact O-CB 3.37Å; L230-A233 PolarHBondContact O-N 2.64Å; L230-Q234 HydrophobicContact CD1-CG 4.37Å; L230-Q234 WeakPolarHBondContact O-CG 3.16Å; L230-Q234 PolarHBondContact O-N 3.47Å; L230-L274 HydrophobicContact CD1-CD2 4.09Å; L230-A277 HydrophobicContact CD1-CB 3.77Å; L230-T278 HydrophobicContact CD1-CG2 3.85Å; L230-T278 HydrophobicContact CD2-CG2 4.18Å; L230-T278 HydrophobicContact CG-CG2 4.46Å
231Q98.9Very high98.7Very high109 Ų10946.9 Ų46.951%0.50924%0.241SC..Hα-helixtrans-62.5-45.7175.6-77.1171.181.400112.2D227 S228 L229 A233 K235D227-Q231 VanDerWaalsContact O-CG 3.3Å; D227-Q231 WeakPolarHBondContact O-CG 3.41Å; D227-Q231 PolarHBondContact O-N 3.22Å; D227-Q231 VanDerWaalsContact O-N 3.13Å; D227-Q231 PolarHBondContact O-NE2 3.03Å; S228-Q231 PolarHBondContact O-N 3.06Å; L229-Q231 PolarHBondContact O-N 3.06Å; Q231-A233 VanDerWaalsContact C-N 3.31Å; Q231-A233 PolarHBondContact O-N 3.3Å; Q231-K235 WeakPolarHBondContact O-CB 3.2Å; Q231-K235 WeakPolarHBondContact O-CG 3.27Å; Q231-K235 PolarHBondContact O-N 3.47Å; Q231-K235 VanDerWaalsContact O-N 3.16Å
232H98.9Very high98.8Very high39 Ų3944.7 Ų44.718%0.18124%0.243CC..Hα-helixtrans-62.7-39.6175.8-79.9-85.8000111.4H159 M211 S228 L229 K235 L236H159-H232 AromaticContact CE1-ND1 3.71Å; H159-H232 PolarHBondContact CE1-O 3.44Å; H159-H232 AromaticContact CG-ND1 3.42Å; H159-H232 AromaticContact ND1-CG 3.59Å; H159-H232 AromaticContact ND1-ND1 2.91Å; H159-H232 PolarHBondContact ND1-ND1 3.44Å; H159-H232 PolarHBondContact ND1-O 3.31Å; H159-H232 PolarHBondContact O-CE1 3.1Å; H159-H232 PolarHBondContact O-ND1 2.81Å; M211-H232 HydrophobicContact CE-CB 3.87Å; M211-H232 HydrophobicContact SD-CB 3.49Å; M211-H232 WeakPolarHBondContact SD-CB 3.09Å; S228-H232 PolarHBondContact O-CD2 3.08Å; S228-H232 VanDerWaalsContact O-CD2 3.29Å; S228-H232 PolarHBondContact O-N 3.13Å; L229-H232 PolarHBondContact O-N 2.85Å; H232-K235 PolarHBondContact O-N 3.41Å; H232-L236 WeakPolarHBondContact O-CB 3.48Å; H232-L236 PolarHBondContact O-N 3.3Å
233A99Very high98.8Very high0 Ų046.4 Ų46.40%025%0.246CC..Hα-helixtrans-62-49177.800000112.8A208 M211 A212 L229 L230 Q231 K235 L236 F237 L274A208-A233 WeakPolarHBondContact CB-O 3.3Å; A208-A233 WeakPolarHBondContact O-CB 3.42Å; M211-A233 HydrophobicContact CB-CB 3.9Å; A212-A233 HydrophobicContact CB-CB 3.9Å; L229-A233 WeakPolarHBondContact O-CB 3.35Å; L229-A233 PolarHBondContact O-N 2.86Å; L230-A233 WeakPolarHBondContact O-CB 3.37Å; L230-A233 PolarHBondContact O-N 2.64Å; Q231-A233 VanDerWaalsContact C-N 3.31Å; Q231-A233 PolarHBondContact O-N 3.3Å; A233-K235 VanDerWaalsContact C-N 3.32Å; A233-K235 PolarHBondContact O-N 2.92Å; A233-L236 PolarHBondContact O-N 3.3Å; A233-F237 WeakPolarHBondContact O-CB 3.45Å; A233-F237 PolarHBondContact O-N 3.37Å; A233-L274 HydrophobicContact CB-CD2 3.93Å
234Q98.9Very high98.8Very high61 Ų6146.9 Ų46.929%0.28524%0.241SC..Hα-helixtrans-61.6-40.8179.1-71.1176.3-41.200112.1L230 T238 L274L230-Q234 HydrophobicContact CD1-CG 4.37Å; L230-Q234 WeakPolarHBondContact O-CG 3.16Å; L230-Q234 PolarHBondContact O-N 3.47Å; Q234-T238 WeakPolarHBondContact O-CB 3.12Å; Q234-T238 PolarHBondContact O-N 2.91Å; Q234-T238 PolarHBondContact O-OG1 3.43Å; Q234-L274 HydrophobicContact CG-CD2 3.75Å
235K98.9Very high98.8Very high84 Ų8442 Ų4237%0.36521%0.214SC..Hα-helixtrans-66.7-46.8177-76.1174173.2-156.50112.3D162 Q231 H232 A233 F237 T238 F239D162-K235 VanDerWaalsContact OD1-CD 3.3Å; D162-K235 WeakPolarHBondContact OD1-CD 2.96Å; D162-K235 VanDerWaalsContact OD1-CE 3.24Å; D162-K235 WeakPolarHBondContact OD1-CE 3.11Å; D162-K235 IonicContact OD1-NZ 2.62Å; D162-K235 PolarHBondContact OD1-NZ 3.37Å; Q231-K235 WeakPolarHBondContact O-CB 3.2Å; Q231-K235 WeakPolarHBondContact O-CG 3.27Å; Q231-K235 PolarHBondContact O-N 3.47Å; Q231-K235 VanDerWaalsContact O-N 3.16Å; H232-K235 PolarHBondContact O-N 3.41Å; A233-K235 VanDerWaalsContact C-N 3.32Å; A233-K235 PolarHBondContact O-N 2.92Å; K235-F237 VanDerWaalsContact C-N 3.35Å; K235-F237 PolarHBondContact O-N 3.48Å; K235-T238 WeakPolarHBondContact O-CB 3.33Å; K235-T238 PolarHBondContact O-N 2.99Å; K235-F239 WeakPolarHBondContact O-CB 3.31Å; K235-F239 PolarHBondContact O-N 3.35Å
236L98.9Very high98.8Very high0 Ų041.9 Ų41.90%022%0.215CC..Hα-helixtrans-63.5-39.7176-79.6-174.1000112.4H159 F165 A207 A208 M211 H232 A233 F239 A240H159-L236 HydrophobicContact CB-CD2 4.49Å; H159-L236 WeakPolarHBondContact ND1-CG 3.44Å; F165-L236 HydrophobicContact CB-CD2 3.92Å; F165-L236 HydrophobicContact CD2-CD1 4.12Å; F165-L236 HydrophobicContact CD2-CD2 4.13Å; F165-L236 HydrophobicContact CE2-CD1 4.2Å; F165-L236 HydrophobicContact CG-CD1 4.5Å; F165-L236 HydrophobicContact CG-CD2 4.08Å; A207-L236 HydrophobicContact CB-CD1 3.58Å; A208-L236 HydrophobicContact CB-CB 3.88Å; M211-L236 HydrophobicContact CE-CD1 3.23Å; M211-L236 HydrophobicContact CE-CG 4.21Å; H232-L236 WeakPolarHBondContact O-CB 3.48Å; H232-L236 PolarHBondContact O-N 3.3Å; A233-L236 PolarHBondContact O-N 3.3Å; L236-F239 HydrophobicContact CD2-CD1 4.27Å; L236-F239 PolarHBondContact O-N 3.34Å; L236-A240 VanDerWaalsContact O-CB 3.28Å; L236-A240 WeakPolarHBondContact O-CB 3.47Å; L236-A240 PolarHBondContact O-N 2.91Å
237F98.9Very high98.8Very high13 Ų1341.7 Ų41.76%0.05721%0.214CC..Hα-helixtrans-62.1-45.5174.7176.1-99.2000111.4A208 A233 K235 F239 A240 D241 L267 A270 A271 L274 Y283 Y286A208-F237 HydrophobicContact CB-CB 4.05Å; A233-F237 WeakPolarHBondContact O-CB 3.45Å; A233-F237 PolarHBondContact O-N 3.37Å; K235-F237 VanDerWaalsContact C-N 3.35Å; K235-F237 PolarHBondContact O-N 3.48Å; F237-F239 VanDerWaalsContact C-N 3.3Å; F237-F239 PolarHBondContact O-N 3.19Å; F237-A240 PolarHBondContact O-N 3.37Å; F237-D241 WeakPolarHBondContact O-CB 3.35Å; F237-D241 PolarHBondContact O-N 3.29Å; F237-L267 HydrophobicContact CD2-CD2 4.43Å; F237-L267 HydrophobicContact CE2-CD2 4.15Å; F237-A270 HydrophobicContact CD2-CB 3.81Å; F237-A270 HydrophobicContact CE2-CB 4.39Å; F237-A271 HydrophobicContact CE2-CB 3.79Å; F237-A271 HydrophobicContact CZ-CB 3.9Å; F237-L274 HydrophobicContact CB-CD1 3.47Å; F237-L274 VanDerWaalsContact CB-CD1 3.47Å; F237-L274 HydrophobicContact CD1-CD1 3.94Å; F237-L274 HydrophobicContact CD2-CD1 4.04Å; F237-L274 HydrophobicContact CG-CD1 3.53Å; F237-Y283 HydrophobicContact CD1-CD1 4.41Å; F237-Y283 AromaticContact CD1-CE1 3.71Å; F237-Y283 HydrophobicContact CD1-CE1 3.71Å; F237-Y283 HydrophobicContact CE1-CD1 4.02Å; F237-Y283 AromaticContact CE1-CE1 3.69Å; F237-Y283 HydrophobicContact CE1-CE1 3.69Å; F237-Y283 HydrophobicContact CZ-CD1 4.43Å; F237-Y283 HydrophobicContact CZ-CE1 4.5Å; F237-Y286 HydrophobicContact CE2-CE1 4.32Å; F237-Y286 HydrophobicContact CZ-CD1 4.22Å; F237-Y286 HydrophobicContact CZ-CD2 4.18Å; F237-Y286 HydrophobicContact CZ-CE1 4.01Å; F237-Y286 AromaticContact CZ-CE2 3.93Å; F237-Y286 HydrophobicContact CZ-CE2 3.93Å; F237-Y286 HydrophobicContact CZ-CG 4.31Å; F237-Y286 AromaticContact CZ-CZ 3.85Å
238T98.9Very high98.7Very high76 Ų7637.9 Ų37.947%0.46619%0.193SC..Hα-helixtrans-58.5-44.2175.3-58.20000111Q234 K235 T242Q234-T238 WeakPolarHBondContact O-CB 3.12Å; Q234-T238 PolarHBondContact O-N 2.91Å; Q234-T238 PolarHBondContact O-OG1 3.43Å; K235-T238 WeakPolarHBondContact O-CB 3.33Å; K235-T238 PolarHBondContact O-N 2.99Å; T238-T242 WeakPolarHBondContact O-CB 3.37Å; T238-T242 PolarHBondContact O-N 3.02Å; T238-T242 PolarHBondContact O-OG1 3.33Å
239F98.9Very high98.6Very high2 Ų241.1 Ų41.11%0.00921%0.207CC..Hα-helixtrans-62-50176.1169.5-132.3000112D162 N163 I194 A204 K235 L236 F237 D241 T242 Y243D162-F239 WeakPolarHBondContact O-CB 3.42Å; N163-F239 HydrophobicContact CB-CD2 3.7Å; N163-F239 HydrophobicContact CB-CE2 4.09Å; N163-F239 HydrophobicContact CB-CG 4.21Å; N163-F239 WeakPolarHBondContact OD1-CD2 3.35Å; I194-F239 HydrophobicContact CB-CZ 4.5Å; I194-F239 HydrophobicContact CD1-CE1 3.86Å; I194-F239 HydrophobicContact CD1-CZ 4.45Å; I194-F239 HydrophobicContact CG1-CE1 3.93Å; I194-F239 HydrophobicContact CG1-CZ 4.32Å; A204-F239 HydrophobicContact CB-CD1 4.11Å; A204-F239 HydrophobicContact CB-CE1 4.31Å; K235-F239 WeakPolarHBondContact O-CB 3.31Å; K235-F239 PolarHBondContact O-N 3.35Å; L236-F239 HydrophobicContact CD2-CD1 4.27Å; L236-F239 PolarHBondContact O-N 3.34Å; F237-F239 VanDerWaalsContact C-N 3.3Å; F237-F239 PolarHBondContact O-N 3.19Å; F239-D241 PolarHBondContact O-N 3.31Å; F239-T242 PolarHBondContact O-N 2.92Å; F239-Y243 AromaticContact CD2-CD2 3.63Å; F239-Y243 HydrophobicContact CD2-CD2 3.63Å; F239-Y243 HydrophobicContact CD2-CE2 4.34Å; F239-Y243 HydrophobicContact CD2-CG 4.36Å; F239-Y243 AromaticContact CE2-CD2 3.96Å; F239-Y243 HydrophobicContact CE2-CD2 3.96Å; F239-Y243 HydrophobicContact CE2-CG 4.27Å; F239-Y243 PolarHBondContact O-N 3.34Å
240A98.9Very high98.6Very high1 Ų143 Ų431%0.00822%0.219CC..Hα-helixtrans-59.3-43.3179.800000112.3S201 A204 A205 L236 F237 L267S201-A240 WeakPolarHBondContact CB-O 3.47Å; S201-A240 PolarHBondContact OG-O 3.43Å; A204-A240 HydrophobicContact CB-CB 3.75Å; A205-A240 HydrophobicContact CB-CB 4Å; L236-A240 VanDerWaalsContact O-CB 3.28Å; L236-A240 WeakPolarHBondContact O-CB 3.47Å; L236-A240 PolarHBondContact O-N 2.91Å; F237-A240 PolarHBondContact O-N 3.37Å; A240-L267 HydrophobicContact CB-CD2 3.92Å
241D98.7Very high98.5Very high40 Ų4044.7 Ų44.721%0.21422%0.224CC..Hα-helixtrans-79.1-29.4-179.6-167.749.2000112.3F237 F239 K244 L267 Y286F237-D241 WeakPolarHBondContact O-CB 3.35Å; F237-D241 PolarHBondContact O-N 3.29Å; F239-D241 PolarHBondContact O-N 3.31Å; D241-K244 WeakPolarHBondContact O-CG 3.46Å; D241-K244 PolarHBondContact O-NZ 3.42Å; D241-K244 VanDerWaalsContact OD1-CE 3.24Å; D241-K244 WeakPolarHBondContact OD1-CE 3.48Å; D241-K244 IonicContact OD1-NZ 3.08Å; D241-K244 PolarHBondContact OD1-NZ 3.09Å; D241-K244 IonicContact OD2-NZ 3.25Å; D241-L267 HydrophobicContact CB-CD2 4.01Å; D241-Y286 PolarHBondContact OD1-OH 2.93Å
242T98.8Very high98.4Very high85 Ų8543.5 Ų43.552%0.52123%0.225SC..Hα-helixtrans-75.5-42.1178.3-58.70000112.1T238 F239T238-T242 WeakPolarHBondContact O-CB 3.37Å; T238-T242 PolarHBondContact O-N 3.02Å; T238-T242 PolarHBondContact O-OG1 3.33Å; F239-T242 PolarHBondContact O-N 2.92Å
243Y98.6Very high98.2Very high88 Ų8847.6 Ų47.635%0.34524%0.242SC..SBendtrans-114.173.5-174.9-58.8-87.6000110.5T196 P199 S201 F239 G245T196-Y243 HydrophobicContact CG2-CD1 4.21Å; T196-Y243 HydrophobicContact CG2-CD2 4.08Å; T196-Y243 HydrophobicContact CG2-CE1 3.77Å; T196-Y243 HydrophobicContact CG2-CE2 3.61Å; T196-Y243 HydrophobicContact CG2-CG 4.34Å; T196-Y243 VanDerWaalsContact CG2-CZ 3.44Å; P199-Y243 WeakPolarHBondContact CB-O 3.39Å; S201-Y243 PolarHBondContact OG-O 2.98Å; F239-Y243 AromaticContact CD2-CD2 3.63Å; F239-Y243 HydrophobicContact CD2-CD2 3.63Å; F239-Y243 HydrophobicContact CD2-CE2 4.34Å; F239-Y243 HydrophobicContact CD2-CG 4.36Å; F239-Y243 AromaticContact CE2-CD2 3.96Å; F239-Y243 HydrophobicContact CE2-CD2 3.96Å; F239-Y243 HydrophobicContact CE2-CG 4.27Å; F239-Y243 PolarHBondContact O-N 3.34Å; Y243-G245 PolarHBondContact O-N 3.48Å
244K98.4Very high98Very high90 Ų9048.2 Ų48.239%0.39125%0.246SC..  trans-65.7128-174.2-67.5-177.3170.472.40113.2S201 D241 Y263S201-K244 VanDerWaalsContact OG-CA 3.26Å; S201-K244 WeakPolarHBondContact OG-CA 3.21Å; D241-K244 WeakPolarHBondContact O-CG 3.46Å; D241-K244 PolarHBondContact O-NZ 3.42Å; D241-K244 VanDerWaalsContact OD1-CE 3.24Å; D241-K244 WeakPolarHBondContact OD1-CE 3.48Å; D241-K244 IonicContact OD1-NZ 3.08Å; D241-K244 PolarHBondContact OD1-NZ 3.09Å; D241-K244 IonicContact OD2-NZ 3.25Å; K244-Y263 HydrophobicContact CB-CE2 4.15Å; K244-Y263 HydrophobicContact CD-CE2 4.02Å; K244-Y263 HydrophobicContact CG-CE2 4.14Å
245G98.3Very high97.8Very high14 Ų1449.2 Ų49.214%0.14425%0.25CS..  trans173161.9172.100000112.1G200 S201 Y243G200-G245 CarbonylContact C-O 3.48Å; G200-G245 WeakPolarHBondContact CA-O 3.13Å; S201-G245 WeakPolarHBondContact CB-O 3.42Å; S201-G245 PolarHBondContact N-O 2.9Å; S201-G245 PolarHBondContact OG-N 3.09Å; S201-G245 PolarHBondContact OG-O 3.45Å; Y243-G245 PolarHBondContact O-N 3.48Å
246L98.5Very high97.7Very high23 Ų2351.2 Ų51.212%0.1227%0.265CS..  trans-88.3139176.8-62.9173000110.8D202 S248 D249 T250 G262 Y263D202-L246 HydrophobicContact CB-CD2 4.14Å; L246-S248 PolarHBondContact O-N 2.85Å; L246-D249 HydrophobicContact CB-CB 4.14Å; L246-D249 PolarHBondContact O-N 3.16Å; L246-T250 PolarHBondContact O-N 3.44Å; L246-T250 VanDerWaalsContact O-N 3.12Å; L246-T250 PolarHBondContact O-OG1 3.44Å; L246-G262 VanDerWaalsContact CD2-C 3.45Å; L246-G262 WeakPolarHBondContact CD2-O 3.39Å; L246-Y263 HydrophobicContact CD2-CD1 3.68Å; L246-Y263 HydrophobicContact CD2-CG 4.32Å; L246-Y263 HydrophobicContact CG-CD1 4.06Å
247A98.4Very high97.5Very high1 Ų154.1 Ų54.11%0.00828%0.276CS..Hα-helixtrans-62.2-35.5173.800000111.3I167 I194 D202 V203 D249 T250 Y251 L254I167-A247 HydrophobicContact CD1-CB 4.08Å; I194-A247 HydrophobicContact CG2-CB 4.42Å; D202-A247 PolarHBondContact OD1-N 3Å; D202-A247 PolarHBondContact OD2-N 2.65Å; V203-A247 HydrophobicContact CB-CB 4.49Å; V203-A247 HydrophobicContact CG2-CB 3.54Å; A247-D249 VanDerWaalsContact C-N 3.33Å; A247-D249 PolarHBondContact O-N 3.16Å; A247-T250 PolarHBondContact O-N 3.21Å; A247-Y251 PolarHBondContact O-N 3.47Å; A247-L254 HydrophobicContact CB-CD1 4.1Å
248S97Very high97.4Very high1 Ų154.4 Ų54.41%0.00728%0.278CS..Hα-helixtrans-68.2-26.7177.658.60000114L246 Y251 P252 Q255L246-S248 PolarHBondContact O-N 2.85Å; S248-Y251 CarbonylContact O-C 3.58Å; S248-P252 WeakPolarHBondContact O-CA 3.37Å; S248-Q255 PolarHBondContact O-NE2 2.88Å
249D97.6Very high97.3Very high105 Ų10554.5 Ų54.556%0.56128%0.275SS*.Hα-helixtrans-77-41.9171-75.4-19.6000111.2L246 A247 Y251L246-D249 HydrophobicContact CB-CB 4.14Å; L246-D249 PolarHBondContact O-N 3.16Å; A247-D249 VanDerWaalsContact C-N 3.33Å; A247-D249 PolarHBondContact O-N 3.16Å; D249-Y251 VanDerWaalsContact C-N 3.34Å
250T97.4Very high97.1Very high39 Ų3954.7 Ų54.724%0.23928%0.276CS..Hα-helixtrans-64.6-38.6177-65.90000111.8S198 P199 L246 A247S198-T250 VanDerWaalsContact CB-CG2 3.47Å; P199-T250 WeakPolarHBondContact O-CB 3.13Å; P199-T250 PolarHBondContact O-OG1 3.47Å; L246-T250 PolarHBondContact O-N 3.44Å; L246-T250 VanDerWaalsContact O-N 3.12Å; L246-T250 PolarHBondContact O-OG1 3.44Å; A247-T250 PolarHBondContact O-N 3.21Å
251Y97.4Very high97Very high68 Ų6859.7 Ų59.727%0.26731%0.307SS..SBendtrans-125.684.4179.4-62.4-72.9000110.4I167 T192 Q193 I194 A247 S248 D249 K253 L254I167-Y251 HydrophobicContact CD1-CD2 4.17Å; I167-Y251 HydrophobicContact CD1-CE2 4.45Å; T192-Y251 HydrophobicContact CG2-CD1 4.01Å; T192-Y251 HydrophobicContact CG2-CD2 3.86Å; T192-Y251 HydrophobicContact CG2-CE1 3.87Å; T192-Y251 HydrophobicContact CG2-CE2 3.7Å; T192-Y251 HydrophobicContact CG2-CG 4.02Å; Q193-Y251 WeakPolarHBondContact O-CE2 3.47Å; Q193-Y251 PolarHBondContact O-OH 3.07Å; I194-Y251 HydrophobicContact CG2-CE2 4.16Å; A247-Y251 PolarHBondContact O-N 3.47Å; S248-Y251 CarbonylContact O-C 3.58Å; D249-Y251 VanDerWaalsContact C-N 3.34Å; Y251-K253 PolarHBondContact O-N 2.96Å; Y251-L254 HydrophobicContact CD2-CD1 4.41Å; Y251-L254 WeakPolarHBondContact O-CB 3.42Å; Y251-L254 PolarHBondContact O-N 3.46Å
252P96.5Very high96.9Very high83 Ų8358.1 Ų58.154%0.53930%0.301SS..G310 helixtrans-54.4-25.2-174.5-30.636.5000115.5S248 L254 Q255S248-P252 WeakPolarHBondContact O-CA 3.37Å; P252-L254 PolarHBondContact O-N 2.91Å; P252-Q255 VanDerWaalsContact O-CB 3.31Å; P252-Q255 WeakPolarHBondContact O-CB 3.23Å; P252-Q255 WeakPolarHBondContact O-CG 3.43Å; P252-Q255 PolarHBondContact O-N 3.47Å; P252-Q255 VanDerWaalsContact O-N 3.15Å
253K95Very high96.9Very high125 Ų12556.3 Ų56.354%0.54328%0.284SS..G310 helixtrans-60-30.3174.1-73.3-165.4173.8-157.80113.4D173 Y251 Q255 N256 Y257D173-K253 IonicContact OD2-NZ 2.73Å; D173-K253 PolarHBondContact OD2-NZ 3.35Å; Y251-K253 PolarHBondContact O-N 2.96Å; K253-Q255 PolarHBondContact O-N 2.84Å; K253-N256 PolarHBondContact O-N 3.19Å; K253-Y257 WeakPolarHBondContact O-CD2 3.13Å; K253-Y257 WeakPolarHBondContact O-CE2 3.42Å
254L95.1Very high96.9Very high13 Ų1355.2 Ų55.27%0.06828%0.283CS..G310 helixtrans-62.2-24.5177.8-68.7176.7000112.2F113 I167 A247 Y251 P252 N256 Y257 Y258F113-L254 HydrophobicContact CD1-CD2 4.34Å; F113-L254 HydrophobicContact CE1-CD2 3.82Å; I167-L254 HydrophobicContact CD1-CD1 3.78Å; A247-L254 HydrophobicContact CB-CD1 4.1Å; Y251-L254 HydrophobicContact CD2-CD1 4.41Å; Y251-L254 WeakPolarHBondContact O-CB 3.42Å; Y251-L254 PolarHBondContact O-N 3.46Å; P252-L254 PolarHBondContact O-N 2.91Å; L254-N256 PolarHBondContact O-N 3.47Å; L254-N256 VanDerWaalsContact O-N 3.12Å; L254-Y257 PolarHBondContact O-N 3Å; L254-Y258 CarbonylContact O-C 3.27Å; L254-Y258 PolarHBondContact O-N 3.31Å
255Q95.7Very high96.9Very high82 Ų8251.5 Ų51.538%0.38327%0.267SS..G310 helixtrans-63.1-19.7-179.1-60-179.98.400113.4S248 P252 K253 Y257 N259S248-Q255 PolarHBondContact O-NE2 2.88Å; P252-Q255 VanDerWaalsContact O-CB 3.31Å; P252-Q255 WeakPolarHBondContact O-CB 3.23Å; P252-Q255 WeakPolarHBondContact O-CG 3.43Å; P252-Q255 PolarHBondContact O-N 3.47Å; P252-Q255 VanDerWaalsContact O-N 3.15Å; K253-Q255 PolarHBondContact O-N 2.84Å; Q255-Y257 VanDerWaalsContact C-N 3.25Å; Q255-Y257 PolarHBondContact O-N 3.39Å; Q255-N259 HydrophobicContact CB-CB 4.21Å
256N96Very high97Very high126 Ų12650.9 Ų50.967%0.67426%0.26SS*.G310 helixtrans-77.9-10.4174.6-66.2-27.6000113.3K253 L254K253-N256 PolarHBondContact O-N 3.19Å; L254-N256 PolarHBondContact O-N 3.47Å; L254-N256 VanDerWaalsContact O-N 3.12Å
257Y95.5Very high97Very high61 Ų6149.8 Ų49.824%0.23925%0.254CS..THydrogen-bonded Turntrans-128.6-61.2-172.5-47.2-78.5000111.1F113 P172 H176 K253 L254 Q255F113-Y257 HydrophobicContact CZ-CD2 4.25Å; F113-Y257 HydrophobicContact CZ-CG 4.02Å; P172-Y257 HydrophobicContact CB-CD1 4.4Å; P172-Y257 HydrophobicContact CB-CD2 4.28Å; P172-Y257 HydrophobicContact CB-CE1 3.7Å; P172-Y257 HydrophobicContact CB-CE2 3.56Å; P172-Y257 VanDerWaalsContact CB-OH 3.29Å; P172-Y257 WeakPolarHBondContact CB-OH 3.46Å; P172-Y257 HydrophobicContact CG-CD2 4.3Å; P172-Y257 HydrophobicContact CG-CE2 3.92Å; H176-Y257 AromaticContact CE1-CE1 3.58Å; H176-Y257 AromaticContact ND1-CE1 3.83Å; K253-Y257 WeakPolarHBondContact O-CD2 3.13Å; K253-Y257 WeakPolarHBondContact O-CE2 3.42Å; L254-Y257 PolarHBondContact O-N 3Å; Q255-Y257 VanDerWaalsContact C-N 3.25Å; Q255-Y257 PolarHBondContact O-N 3.39Å
258Y96Very high97Very high20 Ų2049.7 Ų49.78%0.07825%0.254CS..  trans-127.876.2-179.2-68-75.6000109.4D106 F113 P116 L254 S260 W306 Y505D106-Y258 PolarHBondContact OD1-OH 3.48Å; D106-Y258 VanDerWaalsContact OD2-CE2 3.26Å; D106-Y258 WeakPolarHBondContact OD2-CE2 3.45Å; D106-Y258 PolarHBondContact OD2-OH 2.79Å; F113-Y258 HydrophobicContact CB-CD2 4.08Å; F113-Y258 HydrophobicContact CB-CE2 3.86Å; F113-Y258 AromaticContact CD1-CD2 3.94Å; F113-Y258 HydrophobicContact CD1-CD2 3.94Å; F113-Y258 HydrophobicContact CD1-CE2 4.29Å; F113-Y258 AromaticContact CD2-CD2 3.9Å; F113-Y258 HydrophobicContact CD2-CD2 3.9Å; F113-Y258 AromaticContact CD2-CE2 3.42Å; F113-Y258 HydrophobicContact CD2-CE2 3.42Å; F113-Y258 VanDerWaalsContact CD2-CE2 3.42Å; F113-Y258 HydrophobicContact CE1-CD2 4.26Å; F113-Y258 HydrophobicContact CE2-CD2 4.21Å; F113-Y258 AromaticContact CE2-CE2 3.89Å; F113-Y258 HydrophobicContact CE2-CE2 3.89Å; F113-Y258 AromaticContact CG-CD2 3.72Å; F113-Y258 HydrophobicContact CG-CD2 3.72Å; F113-Y258 AromaticContact CG-CE2 3.61Å; F113-Y258 HydrophobicContact CG-CE2 3.61Å; F113-Y258 HydrophobicContact CZ-CD2 4.37Å; F113-Y258 HydrophobicContact CZ-CE2 4.49Å; P116-Y258 HydrophobicContact CB-CE1 3.75Å; P116-Y258 HydrophobicContact CG-CD1 4.3Å; P116-Y258 HydrophobicContact CG-CD2 4.47Å; P116-Y258 HydrophobicContact CG-CE1 3.68Å; P116-Y258 HydrophobicContact CG-CE2 3.87Å; P116-Y258 VanDerWaalsContact CG-CZ 3.45Å; L254-Y258 CarbonylContact O-C 3.27Å; L254-Y258 PolarHBondContact O-N 3.31Å; Y258-S260 PolarHBondContact O-N 3.45Å; Y258-W306 AromaticContact CD1-CD2 3.83Å; Y258-W306 HydrophobicContact CD1-CD2 3.83Å; Y258-W306 AromaticContact CD1-CE2 3.73Å; Y258-W306 AromaticContact CD1-CE3 3.73Å; Y258-W306 HydrophobicContact CD1-CE3 3.73Å; Y258-W306 AromaticContact CD1-CH2 3.62Å; Y258-W306 HydrophobicContact CD1-CH2 3.62Å; Y258-W306 AromaticContact CD1-CZ2 3.64Å; Y258-W306 HydrophobicContact CD1-CZ2 3.64Å; Y258-W306 AromaticContact CD1-CZ3 3.64Å; Y258-W306 HydrophobicContact CD1-CZ3 3.64Å; Y258-W306 HydrophobicContact CE1-CD2 4.06Å; Y258-W306 AromaticContact CE1-CE2 3.89Å; Y258-W306 HydrophobicContact CE1-CE3 4.38Å; Y258-W306 HydrophobicContact CE1-CZ2 4.15Å; Y258-W306 HydrophobicContact CG-CH2 4.35Å; Y258-W306 HydrophobicContact CG-CZ3 4.37Å; Y258-Y505 HydrophobicContact CE1-CE1 4.41Å
259N96Very high97.1Very high78 Ų7849.7 Ų49.742%0.41725%0.254SS..  trans-80.597174.5-170.723.9000110.4Q255Q255-N259 HydrophobicContact CB-CB 4.21Å
260S96.1Very high97.2Very high5 Ų544.7 Ų44.74%0.03523%0.227CC..  trans-66.6137.7180178.50000112.3D202 Y258 G262 D307D202-S260 WeakPolarHBondContact OD2-CB 3.18Å; D202-S260 PolarHBondContact OD2-OG 2.75Å; Y258-S260 PolarHBondContact O-N 3.45Å; S260-G262 PolarHBondContact OG-N 3.25Å; S260-G262 PolarHBondContact OG-O 3.02Å; S260-D307 WeakPolarHBondContact CA-OD1 3.34Å
261T95.5Very high97.2Very high107 Ų10742.8 Ų42.866%0.65622%0.215SC*.SBendtrans-90.5-15.4178.456.60000114.2D307T261-D307 WeakPolarHBondContact CB-OD2 3.33Å; T261-D307 WeakPolarHBondContact CG2-OD2 3.43Å; T261-D307 PolarHBondContact N-OD1 3.44Å; T261-D307 PolarHBondContact OG1-OD2 2.9Å
262G97.5Very high97.3Very high7 Ų739.6 Ų39.67%0.07220%0.203CC..  trans-175168-176.800000111.4L246 S260L246-G262 VanDerWaalsContact CD2-C 3.45Å; L246-G262 WeakPolarHBondContact CD2-O 3.39Å; S260-G262 PolarHBondContact OG-N 3.25Å; S260-G262 PolarHBondContact OG-O 3.02Å
263Y98.5Very high97.4Very high47 Ų4735.6 Ų35.618%0.18418%0.177CC..SBendtrans-122.9-7.7170.458-107.2000111.8K244 L246 D265 E266 L267K244-Y263 HydrophobicContact CB-CE2 4.15Å; K244-Y263 HydrophobicContact CD-CE2 4.02Å; K244-Y263 HydrophobicContact CG-CE2 4.14Å; L246-Y263 HydrophobicContact CD2-CD1 3.68Å; L246-Y263 HydrophobicContact CD2-CG 4.32Å; L246-Y263 HydrophobicContact CG-CD1 4.06Å; Y263-D265 VanDerWaalsContact C-N 3.32Å; Y263-E266 WeakPolarHBondContact CA-OE2 3.38Å; Y263-E266 PolarHBondContact O-N 2.86Å; Y263-L267 HydrophobicContact CD2-CD1 3.67Å; Y263-L267 HydrophobicContact CD2-CG 4.4Å; Y263-L267 HydrophobicContact CE2-CD1 4.07Å; Y263-L267 VanDerWaalsContact O-CG 3.31Å; Y263-L267 WeakPolarHBondContact O-CG 3.44Å; Y263-L267 PolarHBondContact O-N 2.95Å
264Q98.8Very high97.6Very high65 Ų6529.7 Ų29.730%0.30415%0.151SC..Hα-helixtrans-64.8-40.9-173.5-74.287.2-16.500110.7L267 L268 F295Q264-L267 PolarHBondContact O-N 3.39Å; Q264-L268 WeakPolarHBondContact O-CG 3.45Å; Q264-L268 PolarHBondContact O-N 3.33Å; Q264-L268 VanDerWaalsContact O-N 3.13Å; Q264-F295 HydrophobicContact CB-CB 3.8Å; Q264-F295 HydrophobicContact CB-CD1 3.75Å; Q264-F295 HydrophobicContact CB-CD2 3.78Å; Q264-F295 HydrophobicContact CB-CE1 4.31Å; Q264-F295 HydrophobicContact CB-CE2 4.33Å; Q264-F295 HydrophobicContact CB-CG 3.5Å; Q264-F295 VanDerWaalsContact CB-CG 3.5Å; Q264-F295 HydrophobicContact CG-CB 4.47Å; Q264-F295 HydrophobicContact CG-CD1 3.42Å; Q264-F295 VanDerWaalsContact CG-CD1 3.42Å; Q264-F295 HydrophobicContact CG-CD2 4.02Å; Q264-F295 HydrophobicContact CG-CE1 3.56Å; Q264-F295 HydrophobicContact CG-CE2 4.14Å; Q264-F295 HydrophobicContact CG-CG 3.71Å; Q264-F295 HydrophobicContact CG-CZ 3.93Å
265D98.7Very high97.7Very high12 Ų1229.9 Ų29.96%0.06415%0.151CC..Hα-helixtrans-74.9-36.1178.557-58.5000112.2Y263 L267 L268 W269 D308 K309 L310Y263-D265 VanDerWaalsContact C-N 3.32Å; D265-L267 VanDerWaalsContact C-N 3.34Å; D265-L267 PolarHBondContact O-N 3.18Å; D265-L268 PolarHBondContact O-N 3.5Å; D265-W269 WeakPolarHBondContact O-CB 3.38Å; D265-W269 PolarHBondContact O-N 3Å; D265-D308 WeakPolarHBondContact OD2-CA 3.43Å; D265-K309 HydrophobicContact CB-CB 4.17Å; D265-K309 PolarHBondContact OD2-N 3.15Å; D265-L310 HydrophobicContact CB-CD2 3.57Å; D265-L310 HydrophobicContact CB-CG 3.72Å
266E98.9Very high97.8Very high0 Ų026.3 Ų26.30%014%0.135CC..Hα-helixtrans-62.8-38.6168.8-73.270.5-158.200112.3F115 D202 A205 E206 Y263 W269 A270 D307 K309F115-E266 HydrophobicContact CE2-CG 4.04Å; F115-E266 HydrophobicContact CZ-CG 4.27Å; D202-E266 WeakPolarHBondContact O-CG 3.42Å; A205-E266 HydrophobicContact CB-CB 3.75Å; E206-E266 HydrophobicContact CB-CG 4.27Å; Y263-E266 WeakPolarHBondContact CA-OE2 3.38Å; Y263-E266 PolarHBondContact O-N 2.86Å; E266-W269 WeakPolarHBondContact O-CB 3.4Å; E266-W269 PolarHBondContact O-N 3.26Å; E266-A270 VanDerWaalsContact O-CB 3.29Å; E266-A270 WeakPolarHBondContact O-CB 3.49Å; E266-A270 PolarHBondContact O-N 3.12Å; E266-D307 VanDerWaalsContact OE1-O 3.09Å; E266-K309 HydrophobicContact CG-CG 4.01Å; E266-K309 WeakPolarHBondContact OE1-CE 3.46Å
267L98.9Very high97.9Very high0 Ų021 Ų210%011%0.108CC..Hα-helixtrans-62.7-43.6174.9-74.1173.4000111.4A205 F237 A240 D241 Y263 Q264 D265 W269 A271 Y286 F295A205-L267 HydrophobicContact CB-CD2 4.02Å; A205-L267 HydrophobicContact CB-CG 4.46Å; F237-L267 HydrophobicContact CD2-CD2 4.43Å; F237-L267 HydrophobicContact CE2-CD2 4.15Å; A240-L267 HydrophobicContact CB-CD2 3.92Å; D241-L267 HydrophobicContact CB-CD2 4.01Å; Y263-L267 HydrophobicContact CD2-CD1 3.67Å; Y263-L267 HydrophobicContact CD2-CG 4.4Å; Y263-L267 HydrophobicContact CE2-CD1 4.07Å; Y263-L267 VanDerWaalsContact O-CG 3.31Å; Y263-L267 WeakPolarHBondContact O-CG 3.44Å; Y263-L267 PolarHBondContact O-N 2.95Å; Q264-L267 PolarHBondContact O-N 3.39Å; D265-L267 VanDerWaalsContact C-N 3.34Å; D265-L267 PolarHBondContact O-N 3.18Å; L267-W269 VanDerWaalsContact C-N 3.33Å; L267-A271 VanDerWaalsContact O-CB 3.31Å; L267-A271 WeakPolarHBondContact O-CB 3.37Å; L267-A271 PolarHBondContact O-N 2.7Å; L267-Y286 HydrophobicContact CB-CE1 4.3Å; L267-F295 HydrophobicContact CD1-CE2 4.3Å
268L98.9Very high97.9Very high0 Ų020.3 Ų20.30%011%0.111CC..Hα-helixtrans-64-40.5174.2-67.7179.4000111.9Q264 D265 S272 Y286 V287 N291 F295 A296 T313Q264-L268 WeakPolarHBondContact O-CG 3.45Å; Q264-L268 PolarHBondContact O-N 3.33Å; Q264-L268 VanDerWaalsContact O-N 3.13Å; D265-L268 PolarHBondContact O-N 3.5Å; L268-S272 WeakPolarHBondContact O-CB 3.49Å; L268-S272 PolarHBondContact O-N 3.4Å; L268-S272 PolarHBondContact O-OG 3.34Å; L268-Y286 HydrophobicContact CD2-CE1 4.49Å; L268-V287 HydrophobicContact CD2-CB 3.98Å; L268-V287 HydrophobicContact CD2-CG1 4Å; L268-V287 WeakPolarHBondContact O-CG1 3.33Å; L268-N291 HydrophobicContact CD2-CB 4.2Å; L268-F295 VanDerWaalsContact CD1-C 3.49Å; L268-F295 HydrophobicContact CD1-CB 3.48Å; L268-F295 VanDerWaalsContact CD1-CB 3.48Å; L268-F295 HydrophobicContact CD2-CB 4.2Å; L268-F295 HydrophobicContact CD2-CD2 4.5Å; L268-F295 HydrophobicContact CG-CB 3.8Å; L268-F295 HydrophobicContact CG-CD2 4.39Å; L268-A296 VanDerWaalsContact CD1-CA 3.44Å; L268-A296 HydrophobicContact CD1-CB 3.65Å; L268-T313 HydrophobicContact CB-CG2 4.17Å
269W98.9Very high97.8Very high0 Ų020.9 Ų20.90%012%0.123CC..Hα-helixtrans-62.4-49.5179.1-177.2-128.1000111.7T122 W126 E206 A209 D265 E266 L267 S272 W273 F304 K309 T313 L316T122-W269 HydrophobicContact CG2-CZ2 3.47Å; T122-W269 VanDerWaalsContact CG2-CZ2 3.47Å; W126-W269 AromaticContact CE3-CH2 3.6Å; W126-W269 HydrophobicContact CE3-CH2 3.6Å; W126-W269 HydrophobicContact CE3-CZ2 4.37Å; W126-W269 HydrophobicContact CH2-CH2 4.37Å; W126-W269 AromaticContact CZ3-CH2 3.53Å; W126-W269 HydrophobicContact CZ3-CH2 3.53Å; W126-W269 HydrophobicContact CZ3-CZ3 4.16Å; E206-W269 PolarHBondContact OE2-NE1 3.32Å; A209-W269 VanDerWaalsContact CB-CD1 3.49Å; A209-W269 HydrophobicContact CB-CG 4.24Å; D265-W269 WeakPolarHBondContact O-CB 3.38Å; D265-W269 PolarHBondContact O-N 3Å; E266-W269 WeakPolarHBondContact O-CB 3.4Å; E266-W269 PolarHBondContact O-N 3.26Å; L267-W269 VanDerWaalsContact C-N 3.33Å; W269-S272 WeakPolarHBondContact O-CB 3.12Å; W269-S272 PolarHBondContact O-N 2.8Å; W269-W273 AromaticContact CD2-CD1 3.87Å; W269-W273 AromaticContact CD2-NE1 3.62Å; W269-W273 AromaticContact CE2-CD1 3.81Å; W269-W273 AromaticContact CE2-NE1 3.29Å; W269-W273 VanDerWaalsContact CE2-NE1 3.29Å; W269-W273 AromaticContact CE3-NE1 3.74Å; W269-W273 AromaticContact CH2-CE2 3.85Å; W269-W273 AromaticContact CH2-CZ2 3.9Å; W269-W273 HydrophobicContact CH2-CZ2 3.9Å; W269-W273 AromaticContact CH2-NE1 3.22Å; W269-W273 AromaticContact CZ2-CE2 3.99Å; W269-W273 HydrophobicContact CZ2-CZ2 4.27Å; W269-W273 AromaticContact CZ2-NE1 3.09Å; W269-W273 AromaticContact CZ3-NE1 3.56Å; W269-W273 VanDerWaalsContact O-CD1 3.24Å; W269-W273 PolarHBondContact O-N 3.05Å; W269-W273 VanDerWaalsContact O-N 3.12Å; W269-F304 HydrophobicContact CH2-CZ 4.3Å; W269-F304 HydrophobicContact CZ2-CZ 4.2Å; W269-K309 HydrophobicContact CB-CB 3.79Å; W269-K309 HydrophobicContact CB-CG 3.98Å; W269-K309 HydrophobicContact CD2-CB 4.34Å; W269-K309 HydrophobicContact CG-CB 3.94Å; W269-K309 HydrophobicContact CG-CD 4.34Å; W269-K309 HydrophobicContact CG-CG 4.01Å; W269-T313 VanDerWaalsContact CE3-OG1 3.28Å; W269-L316 HydrophobicContact CE3-CD2 4.11Å; W269-L316 HydrophobicContact CH2-CD2 4.21Å; W269-L316 HydrophobicContact CZ3-CB 4.03Å; W269-L316 HydrophobicContact CZ3-CD2 3.56Å; W269-L316 HydrophobicContact CZ3-CG 4.44Å
270A99Very high97.8Very high0 Ų020.5 Ų20.50%012%0.12CC..Hα-helixtrans-61.8-48.4176.800000112.4A205 A208 A209 F237 E266 S272 W273 L274A205-A270 HydrophobicContact CB-CB 4.08Å; A205-A270 VanDerWaalsContact O-CB 3.28Å; A205-A270 WeakPolarHBondContact O-CB 3.32Å; A208-A270 HydrophobicContact CB-CB 4.16Å; A209-A270 HydrophobicContact CB-CB 4.25Å; F237-A270 HydrophobicContact CD2-CB 3.81Å; F237-A270 HydrophobicContact CE2-CB 4.39Å; E266-A270 VanDerWaalsContact O-CB 3.29Å; E266-A270 WeakPolarHBondContact O-CB 3.49Å; E266-A270 PolarHBondContact O-N 3.12Å; A270-S272 VanDerWaalsContact C-N 3.27Å; A270-S272 PolarHBondContact O-N 2.94Å; A270-W273 PolarHBondContact O-N 3.23Å; A270-L274 WeakPolarHBondContact O-CB 3.45Å; A270-L274 WeakPolarHBondContact O-CG 3.41Å; A270-L274 PolarHBondContact O-N 3.15Å
271A98.9Very high97.7Very high0 Ų022.8 Ų22.80%013%0.13CC..Hα-helixtrans-61.6-36.8177.300000111.7F237 L267 L274 Y275 Y283 Y286 V287F237-A271 HydrophobicContact CE2-CB 3.79Å; F237-A271 HydrophobicContact CZ-CB 3.9Å; L267-A271 VanDerWaalsContact O-CB 3.31Å; L267-A271 WeakPolarHBondContact O-CB 3.37Å; L267-A271 PolarHBondContact O-N 2.7Å; A271-L274 PolarHBondContact O-N 3.3Å; A271-Y275 WeakPolarHBondContact O-CB 3.5Å; A271-Y275 PolarHBondContact O-N 2.93Å; A271-Y283 HydrophobicContact CB-CD1 4.28Å; A271-Y283 WeakPolarHBondContact O-CB 3.48Å; A271-Y286 HydrophobicContact CB-CD1 3.7Å; A271-Y286 HydrophobicContact CB-CE1 4.25Å; A271-Y286 HydrophobicContact CB-CG 4.38Å; A271-V287 HydrophobicContact CB-CG1 3.44Å; A271-V287 VanDerWaalsContact CB-CG1 3.44Å
272S98.7Very high97.8Very high0 Ų021.5 Ų21.50%012%0.123CC..Hα-helixtrans-61.8-45.5175.3-59.50000111.9L268 W269 A270 Y275 H276 L317L268-S272 WeakPolarHBondContact O-CB 3.49Å; L268-S272 PolarHBondContact O-N 3.4Å; L268-S272 PolarHBondContact O-OG 3.34Å; W269-S272 WeakPolarHBondContact O-CB 3.12Å; W269-S272 PolarHBondContact O-N 2.8Å; A270-S272 VanDerWaalsContact C-N 3.27Å; A270-S272 PolarHBondContact O-N 2.94Å; S272-Y275 WeakPolarHBondContact O-CB 3.25Å; S272-Y275 PolarHBondContact O-N 3.31Å; S272-H276 PolarHBondContact O-CD2 3.2Å; S272-H276 PolarHBondContact O-N 2.76Å; S272-H276 VanDerWaalsContact O-N 3.1Å; S272-L317 WeakPolarHBondContact OG-CD1 3.36Å
273W98.9Very high97.9Very high0 Ų022.2 Ų22.20%012%0.123CC..Hα-helixtrans-68.7-37.8176.1-75.6112.6000113T122 W126 L129 A212 I216 W269 A270 Y275 H276 A277 L316 F527T122-W273 HydrophobicContact CG2-CZ2 4.42Å; T122-W273 VanDerWaalsContact CG2-NE1 3.33Å; W126-W273 HydrophobicContact CB-CH2 3.7Å; W126-W273 HydrophobicContact CB-CZ2 3.72Å; W126-W273 AromaticContact CD1-CH2 3.73Å; W126-W273 HydrophobicContact CD2-CH2 4.21Å; W126-W273 AromaticContact CD2-CZ2 3.93Å; W126-W273 HydrophobicContact CD2-CZ2 3.93Å; W126-W273 HydrophobicContact CE3-CZ2 4.27Å; W126-W273 AromaticContact CG-CH2 3.61Å; W126-W273 HydrophobicContact CG-CH2 3.61Å; W126-W273 AromaticContact CG-CZ2 3.7Å; W126-W273 HydrophobicContact CG-CZ2 3.7Å; L129-W273 HydrophobicContact CD1-CH2 4.22Å; L129-W273 HydrophobicContact CD1-CZ3 3.7Å; A212-W273 HydrophobicContact CB-CB 3.84Å; I216-W273 HydrophobicContact CD1-CE3 4.15Å; I216-W273 HydrophobicContact CD1-CZ3 4.39Å; W269-W273 AromaticContact CD2-CD1 3.87Å; W269-W273 AromaticContact CD2-NE1 3.62Å; W269-W273 AromaticContact CE2-CD1 3.81Å; W269-W273 AromaticContact CE2-NE1 3.29Å; W269-W273 VanDerWaalsContact CE2-NE1 3.29Å; W269-W273 AromaticContact CE3-NE1 3.74Å; W269-W273 AromaticContact CH2-CE2 3.85Å; W269-W273 AromaticContact CH2-CZ2 3.9Å; W269-W273 HydrophobicContact CH2-CZ2 3.9Å; W269-W273 AromaticContact CH2-NE1 3.22Å; W269-W273 AromaticContact CZ2-CE2 3.99Å; W269-W273 HydrophobicContact CZ2-CZ2 4.27Å; W269-W273 AromaticContact CZ2-NE1 3.09Å; W269-W273 AromaticContact CZ3-NE1 3.56Å; W269-W273 VanDerWaalsContact O-CD1 3.24Å; W269-W273 PolarHBondContact O-N 3.05Å; W269-W273 VanDerWaalsContact O-N 3.12Å; A270-W273 PolarHBondContact O-N 3.23Å; W273-Y275 VanDerWaalsContact C-N 3.33Å; W273-Y275 PolarHBondContact O-N 3.36Å; W273-H276 HydrophobicContact CE3-CB 4.41Å; W273-H276 PolarHBondContact O-N 3.38Å; W273-H276 VanDerWaalsContact O-N 3.16Å; W273-A277 WeakPolarHBondContact O-CB 3.38Å; W273-A277 PolarHBondContact O-N 3.36Å; W273-L316 HydrophobicContact CD2-CD2 3.96Å; W273-L316 HydrophobicContact CE3-CD2 4.48Å; W273-L316 HydrophobicContact CG-CD2 4.37Å; W273-L316 HydrophobicContact CH2-CD1 3.88Å; W273-L316 HydrophobicContact CH2-CD2 4.34Å; W273-L316 HydrophobicContact CZ2-CD1 4.04Å; W273-L316 HydrophobicContact CZ2-CD2 3.8Å; W273-L316 HydrophobicContact CZ3-CD1 4.3Å; W273-F527 HydrophobicContact CH2-CE2 4.31Å; W273-F527 HydrophobicContact CZ3-CD2 4.32Å; W273-F527 AromaticContact CZ3-CE2 3.98Å; W273-F527 HydrophobicContact CZ3-CE2 3.98Å
274L98.8Very high97.8Very high0 Ų020 Ų200%012%0.115CC..Hα-helixtrans-63.1-39.7174.1-77.2168.3000111.9A212 L230 A233 Q234 F237 A270 A271 H276 A277 T278 Y283A212-L274 HydrophobicContact CB-CD2 3.84Å; A212-L274 HydrophobicContact CB-CG 3.98Å; L230-L274 HydrophobicContact CD1-CD2 4.09Å; A233-L274 HydrophobicContact CB-CD2 3.93Å; Q234-L274 HydrophobicContact CG-CD2 3.75Å; F237-L274 HydrophobicContact CB-CD1 3.47Å; F237-L274 VanDerWaalsContact CB-CD1 3.47Å; F237-L274 HydrophobicContact CD1-CD1 3.94Å; F237-L274 HydrophobicContact CD2-CD1 4.04Å; F237-L274 HydrophobicContact CG-CD1 3.53Å; A270-L274 WeakPolarHBondContact O-CB 3.45Å; A270-L274 WeakPolarHBondContact O-CG 3.41Å; A270-L274 PolarHBondContact O-N 3.15Å; A271-L274 PolarHBondContact O-N 3.3Å; L274-H276 VanDerWaalsContact C-N 3.34Å; L274-H276 PolarHBondContact O-N 2.99Å; L274-A277 PolarHBondContact O-N 2.94Å; L274-T278 WeakPolarHBondContact O-CB 3.45Å; L274-T278 WeakPolarHBondContact O-CG2 3.13Å; L274-T278 PolarHBondContact O-N 2.87Å; L274-T278 PolarHBondContact O-OG1 3.43Å; L274-Y283 HydrophobicContact CB-CD1 3.87Å; L274-Y283 HydrophobicContact CB-CD2 3.85Å; L274-Y283 HydrophobicContact CB-CE1 3.92Å; L274-Y283 HydrophobicContact CB-CE2 3.92Å; L274-Y283 HydrophobicContact CB-CG 3.84Å; L274-Y283 HydrophobicContact CD1-CD1 4.11Å; L274-Y283 HydrophobicContact CD1-CE1 3.58Å; L274-Y283 HydrophobicContact CG-CE1 4.32Å
275Y97.5Very high97.7Very high17 Ų1718.4 Ų18.47%0.06711%0.111CC..Hα-helixtrans-59.2-46.4170.9173.6-106.2000111.2A271 S272 W273 A277 T278 G279 D280 L284 L320A271-Y275 WeakPolarHBondContact O-CB 3.5Å; A271-Y275 PolarHBondContact O-N 2.93Å; S272-Y275 WeakPolarHBondContact O-CB 3.25Å; S272-Y275 PolarHBondContact O-N 3.31Å; W273-Y275 VanDerWaalsContact C-N 3.33Å; W273-Y275 PolarHBondContact O-N 3.36Å; Y275-A277 VanDerWaalsContact C-N 3.3Å; Y275-A277 PolarHBondContact O-N 3.1Å; Y275-T278 PolarHBondContact O-N 3.24Å; Y275-G279 WeakPolarHBondContact O-CA 3.09Å; Y275-G279 PolarHBondContact O-N 3.31Å; Y275-D280 WeakPolarHBondContact CD2-O 3.4Å; Y275-L284 HydrophobicContact CD2-CB 3.72Å; Y275-L284 HydrophobicContact CE2-CB 3.8Å; Y275-L284 HydrophobicContact CE2-CD2 4.03Å; Y275-L284 HydrophobicContact CE2-CG 4.41Å; Y275-L284 HydrophobicContact CG-CB 4.24Å; Y275-L320 HydrophobicContact CD1-CD1 3.77Å; Y275-L320 HydrophobicContact CE1-CD1 3.38Å; Y275-L320 HydrophobicContact CE1-CD2 3.74Å; Y275-L320 HydrophobicContact CE1-CG 4.21Å
276H97.3Very high97.7Very high8 Ų818.4 Ų18.44%0.03711%0.11CC..Hα-helixtrans-64-32.8177.3-79.2-60.1000113.7I216 S272 W273 L274 R319 F527 T528I216-H276 HydrophobicContact CD1-CB 3.77Å; S272-H276 PolarHBondContact O-CD2 3.2Å; S272-H276 PolarHBondContact O-N 2.76Å; S272-H276 VanDerWaalsContact O-N 3.1Å; W273-H276 HydrophobicContact CE3-CB 4.41Å; W273-H276 PolarHBondContact O-N 3.38Å; W273-H276 VanDerWaalsContact O-N 3.16Å; L274-H276 VanDerWaalsContact C-N 3.34Å; L274-H276 PolarHBondContact O-N 2.99Å; H276-R319 VanDerWaalsContact CE1-CD 3.44Å; H276-R319 WeakPolarHBondContact CE1-CD 3.35Å; H276-F527 HydrophobicContact CB-CD2 4.25Å; H276-F527 AromaticContact ND1-CD2 3.87Å; H276-T528 VanDerWaalsContact O-CG2 3.32Å; H276-T528 WeakPolarHBondContact O-CG2 3.5Å
277A98.1Very high97.7Very high15 Ų1518.4 Ų18.412%0.12411%0.11CC..Hα-helixtrans-78.5-36.2179.200000113.2I216 L230 W273 L274 Y275I216-A277 HydrophobicContact CD1-CB 4.16Å; I216-A277 HydrophobicContact CG1-CB 3.85Å; L230-A277 HydrophobicContact CD1-CB 3.77Å; W273-A277 WeakPolarHBondContact O-CB 3.38Å; W273-A277 PolarHBondContact O-N 3.36Å; L274-A277 PolarHBondContact O-N 2.94Å; Y275-A277 VanDerWaalsContact C-N 3.3Å; Y275-A277 PolarHBondContact O-N 3.1Å
278T96.9Very high97.7Very high46 Ų4618.7 Ų18.728%0.28211%0.111SC..Hα-helixtrans-106.4-30.5-17062.40000114.3L230 L274 Y275 D280 Y283L230-T278 HydrophobicContact CD1-CG2 3.85Å; L230-T278 HydrophobicContact CD2-CG2 4.18Å; L230-T278 HydrophobicContact CG-CG2 4.46Å; L274-T278 WeakPolarHBondContact O-CB 3.45Å; L274-T278 WeakPolarHBondContact O-CG2 3.13Å; L274-T278 PolarHBondContact O-N 2.87Å; L274-T278 PolarHBondContact O-OG1 3.43Å; Y275-T278 PolarHBondContact O-N 3.24Å; T278-D280 PolarHBondContact O-N 3.5Å; T278-D280 VanDerWaalsContact OG1-CB 3.31Å; T278-D280 WeakPolarHBondContact OG1-CB 3.39Å; T278-D280 PolarHBondContact OG1-N 2.97Å; T278-Y283 HydrophobicContact CG2-CE2 4.39Å
279G94Very high97.6Very high32 Ų3222.2 Ų22.233%0.3313%0.133SC..  trans68.79.3-164.800000114.4Y275 Q281Y275-G279 WeakPolarHBondContact O-CA 3.09Å; Y275-G279 PolarHBondContact O-N 3.31Å; G279-Q281 PolarHBondContact O-N 2.95Å
280D95.2Very high97.6Very high69 Ų6928 Ų2837%0.36916%0.16SC..  trans-73.3119.3-179.5-174.7-20.3000110.7Y275 T278 T282 Y283Y275-D280 WeakPolarHBondContact CD2-O 3.4Å; T278-D280 PolarHBondContact O-N 3.5Å; T278-D280 VanDerWaalsContact OG1-CB 3.31Å; T278-D280 WeakPolarHBondContact OG1-CB 3.39Å; T278-D280 PolarHBondContact OG1-N 2.97Å; D280-T282 PolarHBondContact O-N 2.89Å; D280-T282 WeakPolarHBondContact OD1-CB 3.44Å; D280-T282 WeakPolarHBondContact OD1-CG2 3.39Å; D280-T282 PolarHBondContact OD1-N 3.45Å; D280-T282 PolarHBondContact OD1-OG1 3.3Å; D280-T282 PolarHBondContact OD2-OG1 2.89Å; D280-Y283 HydrophobicContact CB-CD2 3.88Å; D280-Y283 HydrophobicContact CB-CE2 4.05Å; D280-Y283 PolarHBondContact O-N 3.4Å
281Q94.9Very high97.5Very high53 Ų5329.5 Ų29.525%0.24817%0.168CC..Hα-helixtrans-65.8-19.1-176.1-64.4-58.1-36.600113.5G279 Y283 L284 S285 Q327G279-Q281 PolarHBondContact O-N 2.95Å; Q281-Y283 VanDerWaalsContact C-N 3.27Å; Q281-Y283 PolarHBondContact O-N 2.93Å; Q281-L284 PolarHBondContact O-N 3.22Å; Q281-L284 VanDerWaalsContact O-N 3.15Å; Q281-S285 WeakPolarHBondContact O-CB 3.34Å; Q281-S285 PolarHBondContact O-N 3.38Å; Q281-Q327 PolarHBondContact OE1-O 2.68Å
282T97.2Very high97.5Very high81 Ų8129.5 Ų29.550%0.49717%0.168SC..Hα-helixtrans-59.3-39.4175.258.20000111.5D280 Y286D280-T282 PolarHBondContact O-N 2.89Å; D280-T282 WeakPolarHBondContact OD1-CB 3.44Å; D280-T282 WeakPolarHBondContact OD1-CG2 3.39Å; D280-T282 PolarHBondContact OD1-N 3.45Å; D280-T282 PolarHBondContact OD1-OG1 3.3Å; D280-T282 PolarHBondContact OD2-OG1 2.89Å; T282-Y286 WeakPolarHBondContact O-CB 3.04Å; T282-Y286 PolarHBondContact O-N 2.77Å
283Y98Very high97.4Very high22 Ų2238.1 Ų38.19%0.08621%0.206CC..Hα-helixtrans-70.6-35175.5-61.7-64.1000112.9F237 A271 L274 T278 D280 Q281 Y286 V287F237-Y283 HydrophobicContact CD1-CD1 4.41Å; F237-Y283 AromaticContact CD1-CE1 3.71Å; F237-Y283 HydrophobicContact CD1-CE1 3.71Å; F237-Y283 HydrophobicContact CE1-CD1 4.02Å; F237-Y283 AromaticContact CE1-CE1 3.69Å; F237-Y283 HydrophobicContact CE1-CE1 3.69Å; F237-Y283 HydrophobicContact CZ-CD1 4.43Å; F237-Y283 HydrophobicContact CZ-CE1 4.5Å; A271-Y283 HydrophobicContact CB-CD1 4.28Å; A271-Y283 WeakPolarHBondContact O-CB 3.48Å; L274-Y283 HydrophobicContact CB-CD1 3.87Å; L274-Y283 HydrophobicContact CB-CD2 3.85Å; L274-Y283 HydrophobicContact CB-CE1 3.92Å; L274-Y283 HydrophobicContact CB-CE2 3.92Å; L274-Y283 HydrophobicContact CB-CG 3.84Å; L274-Y283 HydrophobicContact CD1-CD1 4.11Å; L274-Y283 HydrophobicContact CD1-CE1 3.58Å; L274-Y283 HydrophobicContact CG-CE1 4.32Å; T278-Y283 HydrophobicContact CG2-CE2 4.39Å; D280-Y283 HydrophobicContact CB-CD2 3.88Å; D280-Y283 HydrophobicContact CB-CE2 4.05Å; D280-Y283 PolarHBondContact O-N 3.4Å; Q281-Y283 VanDerWaalsContact C-N 3.27Å; Q281-Y283 PolarHBondContact O-N 2.93Å; Y283-Y286 WeakPolarHBondContact O-CB 3.14Å; Y283-Y286 PolarHBondContact O-N 3.42Å; Y283-V287 PolarHBondContact O-N 2.91Å; Y283-V287 VanDerWaalsContact O-N 3.13Å
284L96.7Very high97.3Very high0 Ų041.8 Ų41.80%024%0.235CC..Hα-helixtrans-68.4-43.5175.8-174.359.8000111.4Y275 Q281 Y286 V287 T288 L320 T328 E332 L336Y275-L284 HydrophobicContact CD2-CB 3.72Å; Y275-L284 HydrophobicContact CE2-CB 3.8Å; Y275-L284 HydrophobicContact CE2-CD2 4.03Å; Y275-L284 HydrophobicContact CE2-CG 4.41Å; Y275-L284 HydrophobicContact CG-CB 4.24Å; Q281-L284 PolarHBondContact O-N 3.22Å; Q281-L284 VanDerWaalsContact O-N 3.15Å; L284-Y286 VanDerWaalsContact C-N 3.31Å; L284-Y286 PolarHBondContact O-N 3.29Å; L284-V287 HydrophobicContact CD1-CG2 4.24Å; L284-V287 WeakPolarHBondContact O-CG2 3.5Å; L284-V287 PolarHBondContact O-N 3.37Å; L284-T288 HydrophobicContact CD1-CG2 3.94Å; L284-T288 HydrophobicContact CG-CG2 4.48Å; L284-T288 WeakPolarHBondContact O-CB 3.43Å; L284-T288 WeakPolarHBondContact O-CG2 3.38Å; L284-T288 PolarHBondContact O-N 2.88Å; L284-T288 PolarHBondContact O-OG1 3.02Å; L284-L320 HydrophobicContact CD1-CD1 4.01Å; L284-T328 HydrophobicContact CD2-CG2 3.47Å; L284-T328 VanDerWaalsContact CD2-CG2 3.47Å; L284-E332 HydrophobicContact CD2-CB 4.49Å; L284-E332 HydrophobicContact CG-CG 4.35Å; L284-L336 HydrophobicContact CD1-CD2 4.09Å
285S97.8Very high97.2Very high32 Ų3243.6 Ų43.622%0.22424%0.243CC..Hα-helixtrans-61.1-39.6172.6-81.30000111.5Q281 V287 T288 V289 E290 E332Q281-S285 WeakPolarHBondContact O-CB 3.34Å; Q281-S285 PolarHBondContact O-N 3.38Å; S285-V287 PolarHBondContact O-N 3.18Å; S285-T288 PolarHBondContact O-N 3Å; S285-V289 WeakPolarHBondContact O-CA 3.41Å; S285-V289 WeakPolarHBondContact O-CB 3.31Å; S285-V289 PolarHBondContact O-N 3.06Å; S285-E290 PolarHBondContact O-N 2.98Å; S285-E332 PolarHBondContact OG-OE1 2.85Å
286Y98.7Very high97.3Very high12 Ų1242.8 Ų42.85%0.04724%0.241CC..Iπ-helixtrans-55.9-52.3174.5-174.5-83.5000111.8F237 D241 L267 L268 A271 T282 Y283 L284 N291F237-Y286 HydrophobicContact CE2-CE1 4.32Å; F237-Y286 HydrophobicContact CZ-CD1 4.22Å; F237-Y286 HydrophobicContact CZ-CD2 4.18Å; F237-Y286 HydrophobicContact CZ-CE1 4.01Å; F237-Y286 AromaticContact CZ-CE2 3.93Å; F237-Y286 HydrophobicContact CZ-CE2 3.93Å; F237-Y286 HydrophobicContact CZ-CG 4.31Å; F237-Y286 AromaticContact CZ-CZ 3.85Å; D241-Y286 PolarHBondContact OD1-OH 2.93Å; L267-Y286 HydrophobicContact CB-CE1 4.3Å; L268-Y286 HydrophobicContact CD2-CE1 4.49Å; A271-Y286 HydrophobicContact CB-CD1 3.7Å; A271-Y286 HydrophobicContact CB-CE1 4.25Å; A271-Y286 HydrophobicContact CB-CG 4.38Å; T282-Y286 WeakPolarHBondContact O-CB 3.04Å; T282-Y286 PolarHBondContact O-N 2.77Å; Y283-Y286 WeakPolarHBondContact O-CB 3.14Å; Y283-Y286 PolarHBondContact O-N 3.42Å; L284-Y286 VanDerWaalsContact C-N 3.31Å; L284-Y286 PolarHBondContact O-N 3.29Å; Y286-N291 VanDerWaalsContact CD2-ND2 3.35Å; Y286-N291 WeakPolarHBondContact CD2-ND2 3.37Å; Y286-N291 HydrophobicContact CE1-CB 4.3Å; Y286-N291 WeakPolarHBondContact CE2-ND2 3.46Å; Y286-N291 WeakPolarHBondContact O-CB 3.31Å; Y286-N291 PolarHBondContact O-N 2.76Å
287V98.4Very high97.2Very high0 Ų044.4 Ų44.40%025%0.25CC..Iπ-helixtrans-77.2-27-175.4-56.40000113.7L268 A271 Y283 L284 S285 G292 L317 Y339L268-V287 HydrophobicContact CD2-CB 3.98Å; L268-V287 HydrophobicContact CD2-CG1 4Å; L268-V287 WeakPolarHBondContact O-CG1 3.33Å; A271-V287 HydrophobicContact CB-CG1 3.44Å; A271-V287 VanDerWaalsContact CB-CG1 3.44Å; Y283-V287 PolarHBondContact O-N 2.91Å; Y283-V287 VanDerWaalsContact O-N 3.13Å; L284-V287 HydrophobicContact CD1-CG2 4.24Å; L284-V287 WeakPolarHBondContact O-CG2 3.5Å; L284-V287 PolarHBondContact O-N 3.37Å; S285-V287 PolarHBondContact O-N 3.18Å; V287-G292 WeakPolarHBondContact O-CA 3.23Å; V287-G292 PolarHBondContact O-N 3.35Å; V287-L317 HydrophobicContact CB-CD1 4.2Å; V287-L317 HydrophobicContact CG2-CD1 3.81Å; V287-L317 HydrophobicContact CG2-CD2 4.26Å; V287-Y339 WeakPolarHBondContact O-CE2 3.18Å; V287-Y339 PolarHBondContact O-OH 2.77Å
288T98Very high97.1Very high5 Ų547 Ų473%0.03126%0.256CS..Iπ-helixtrans-100.6-43.2-175.858.20000114.1L284 S285 E332 L336 Y339L284-T288 HydrophobicContact CD1-CG2 3.94Å; L284-T288 HydrophobicContact CG-CG2 4.48Å; L284-T288 WeakPolarHBondContact O-CB 3.43Å; L284-T288 WeakPolarHBondContact O-CG2 3.38Å; L284-T288 PolarHBondContact O-N 2.88Å; L284-T288 PolarHBondContact O-OG1 3.02Å; S285-T288 PolarHBondContact O-N 3Å; T288-E332 WeakPolarHBondContact OG1-CA 3.33Å; T288-E332 VanDerWaalsContact OG1-CG 3.3Å; T288-E332 WeakPolarHBondContact OG1-CG 3.23Å; T288-L336 HydrophobicContact CG2-CD2 4.06Å; T288-L336 HydrophobicContact CG2-CG 4.06Å; T288-Y339 HydrophobicContact CG2-CE2 4.38Å
289V97.8Very high97Very high74 Ų7447.2 Ų47.245%0.44827%0.268SS..Iπ-helixtrans-101.3-51.7-169.8-177.30000111.2S285 A331 E332S285-V289 WeakPolarHBondContact O-CA 3.41Å; S285-V289 WeakPolarHBondContact O-CB 3.31Å; S285-V289 PolarHBondContact O-N 3.06Å; V289-A331 HydrophobicContact CG2-CB 3.85Å; V289-E332 HydrophobicContact CG2-CG 3.87Å
290E98.1Very high97Very high123 Ų12353.5 Ų53.558%0.57528%0.282SS*.Iπ-helixtrans-75.7-52.6-170.9-60.9174.4-161.100111.5S285S285-E290 PolarHBondContact O-N 2.98Å
291N98.5Very high97.1Very high30 Ų3053.4 Ų53.416%0.1629%0.285CS..SBendtrans-115.7-15.5-171-64.4-65.7000113.9L268 Y286 K293 A294 F295L268-N291 HydrophobicContact CD2-CB 4.2Å; Y286-N291 VanDerWaalsContact CD2-ND2 3.35Å; Y286-N291 WeakPolarHBondContact CD2-ND2 3.37Å; Y286-N291 HydrophobicContact CE1-CB 4.3Å; Y286-N291 WeakPolarHBondContact CE2-ND2 3.46Å; Y286-N291 WeakPolarHBondContact O-CB 3.31Å; Y286-N291 PolarHBondContact O-N 2.76Å; N291-K293 PolarHBondContact O-N 2.96Å; N291-A294 PolarHBondContact O-N 2.92Å; N291-F295 HydrophobicContact CB-CD2 3.61Å; N291-F295 HydrophobicContact CB-CE2 3.84Å; N291-F295 HydrophobicContact CB-CG 4.07Å; N291-F295 HydrophobicContact CB-CZ 4.49Å; N291-F295 WeakPolarHBondContact O-CB 3.38Å; N291-F295 PolarHBondContact O-N 2.8Å
292G97.3Very high97.2Very high0 Ų052.3 Ų52.30%028%0.282CS..Hα-helixtrans-51-50.3-175.500000113.8V287 A294 A296 W298V287-G292 WeakPolarHBondContact O-CA 3.23Å; V287-G292 PolarHBondContact O-N 3.35Å; G292-A294 VanDerWaalsContact C-N 3.27Å; G292-A294 PolarHBondContact O-N 3.01Å; G292-A296 WeakPolarHBondContact O-CB 3.29Å; G292-A296 PolarHBondContact O-N 2.86Å; G292-W298 VanDerWaalsContact C-CZ2 3.46Å
293K96.3Very high97.2Very high182 Ų18251.6 Ų51.679%0.79127%0.27SS*.Hα-helixtrans-62.3-33.4179-176.7178177.6-176.40113.4N291 W298N291-K293 PolarHBondContact O-N 2.96Å; K293-W298 HydrophobicContact CB-CH2 4.33Å; K293-W298 HydrophobicContact CB-CZ3 3.97Å
294A97.3Very high97.2Very high76 Ų7650.8 Ų50.863%0.62827%0.267SS*.Hα-helixtrans-85.7-37.4-175.800000112.2N291 G292N291-A294 PolarHBondContact O-N 2.92Å; G292-A294 VanDerWaalsContact C-N 3.27Å; G292-A294 PolarHBondContact O-N 3.01Å
295F98.3Very high97.3Very high38 Ų3851.2 Ų51.217%0.16727%0.27CS..Hα-helixtrans-108.6-29.5-165.9-67.11.8000113Q264 L267 L268 N291 D297 L310Q264-F295 HydrophobicContact CB-CB 3.8Å; Q264-F295 HydrophobicContact CB-CD1 3.75Å; Q264-F295 HydrophobicContact CB-CD2 3.78Å; Q264-F295 HydrophobicContact CB-CE1 4.31Å; Q264-F295 HydrophobicContact CB-CE2 4.33Å; Q264-F295 HydrophobicContact CB-CG 3.5Å; Q264-F295 VanDerWaalsContact CB-CG 3.5Å; Q264-F295 HydrophobicContact CG-CB 4.47Å; Q264-F295 HydrophobicContact CG-CD1 3.42Å; Q264-F295 VanDerWaalsContact CG-CD1 3.42Å; Q264-F295 HydrophobicContact CG-CD2 4.02Å; Q264-F295 HydrophobicContact CG-CE1 3.56Å; Q264-F295 HydrophobicContact CG-CE2 4.14Å; Q264-F295 HydrophobicContact CG-CG 3.71Å; Q264-F295 HydrophobicContact CG-CZ 3.93Å; L267-F295 HydrophobicContact CD1-CE2 4.3Å; L268-F295 VanDerWaalsContact CD1-C 3.49Å; L268-F295 HydrophobicContact CD1-CB 3.48Å; L268-F295 VanDerWaalsContact CD1-CB 3.48Å; L268-F295 HydrophobicContact CD2-CB 4.2Å; L268-F295 HydrophobicContact CD2-CD2 4.5Å; L268-F295 HydrophobicContact CG-CB 3.8Å; L268-F295 HydrophobicContact CG-CD2 4.39Å; N291-F295 HydrophobicContact CB-CD2 3.61Å; N291-F295 HydrophobicContact CB-CE2 3.84Å; N291-F295 HydrophobicContact CB-CG 4.07Å; N291-F295 HydrophobicContact CB-CZ 4.49Å; N291-F295 WeakPolarHBondContact O-CB 3.38Å; N291-F295 PolarHBondContact O-N 2.8Å; F295-D297 VanDerWaalsContact C-N 3.29Å; F295-D297 PolarHBondContact O-N 3.22Å; F295-L310 VanDerWaalsContact O-CD2 3.26Å; F295-L310 WeakPolarHBondContact O-CD2 3.48Å
296A97.9Very high97.3Very high1 Ų151.3 Ų51.31%0.00827%0.265CS..SBendtrans-83.9-4.1-166.900000115.3L268 G292 W298 Q314 Y339L268-A296 VanDerWaalsContact CD1-CA 3.44Å; L268-A296 HydrophobicContact CD1-CB 3.65Å; G292-A296 WeakPolarHBondContact O-CB 3.29Å; G292-A296 PolarHBondContact O-N 2.86Å; A296-W298 VanDerWaalsContact C-N 3.34Å; A296-W298 HydrophobicContact CB-CG 4.38Å; A296-W298 PolarHBondContact O-N 3.01Å; A296-Q314 PolarHBondContact O-NE2 2.83Å; A296-Y339 HydrophobicContact CB-CD1 4.48Å; A296-Y339 HydrophobicContact CB-CE1 3.53Å; A296-Y339 WeakPolarHBondContact CB-OH 3.29Å
297D95.8Very high97.3Very high42 Ų4251.7 Ų51.723%0.22527%0.268CS..  trans44.449.5-177.5-155.98.3000116.2F295 G299 R300 L310F295-D297 VanDerWaalsContact C-N 3.29Å; F295-D297 PolarHBondContact O-N 3.22Å; D297-G299 PolarHBondContact O-N 3.38Å; D297-R300 PolarHBondContact O-N 3.02Å; D297-R300 VanDerWaalsContact O-N 3.14Å; D297-R300 IonicContact OD1-CZ 2.72Å; D297-R300 IonicContact OD1-NE 2.61Å; D297-R300 PolarHBondContact OD1-NE 3.1Å; D297-R300 IonicContact OD1-NH2 2.95Å; D297-R300 PolarHBondContact OD1-NH2 3.37Å; D297-R300 IonicContact OD2-CZ 3.89Å; D297-R300 VanDerWaalsContact OD2-CZ 3.23Å; D297-R300 IonicContact OD2-NE 2.87Å; D297-R300 PolarHBondContact OD2-NE 3.17Å; D297-R300 IonicContact OD2-NH2 3.23Å; D297-R300 PolarHBondContact OD2-NH2 3.05Å; D297-L310 HydrophobicContact CB-CD1 3.98Å
298W96.6Very high97.3Very high68 Ų6853 Ų5326%0.25828%0.276SS..THydrogen-bonded Turntrans-55.9134.2-173.4-62.4-32.7000113.5G292 K293 A296 R300 M338 Y339 T342G292-W298 VanDerWaalsContact C-CZ2 3.46Å; K293-W298 HydrophobicContact CB-CH2 4.33Å; K293-W298 HydrophobicContact CB-CZ3 3.97Å; A296-W298 VanDerWaalsContact C-N 3.34Å; A296-W298 HydrophobicContact CB-CG 4.38Å; A296-W298 PolarHBondContact O-N 3.01Å; W298-R300 VanDerWaalsContact C-N 3.28Å; W298-R300 PolarHBondContact O-N 3.25Å; W298-M338 HydrophobicContact CB-CB 4.22Å; W298-M338 HydrophobicContact CD2-CB 3.49Å; W298-M338 VanDerWaalsContact CD2-CB 3.49Å; W298-M338 HydrophobicContact CD2-CG 4.14Å; W298-M338 HydrophobicContact CE3-CB 3.86Å; W298-M338 HydrophobicContact CE3-CG 3.98Å; W298-M338 HydrophobicContact CG-CB 3.66Å; W298-M338 HydrophobicContact CZ2-CB 4.36Å; W298-M338 HydrophobicContact CZ3-CB 4.44Å; W298-M338 HydrophobicContact CZ3-CG 4.34Å; W298-Y339 HydrophobicContact CZ2-CE2 4.3Å; W298-Y339 AromaticContact NE1-CD1 3.93Å; W298-Y339 AromaticContact NE1-CD2 3.92Å; W298-Y339 AromaticContact NE1-CE1 3.89Å; W298-Y339 AromaticContact NE1-CE2 3.82Å; W298-Y339 AromaticContact NE1-CG 3.98Å; W298-Y339 AromaticContact NE1-CZ 3.84Å; W298-T342 WeakPolarHBondContact CA-OG1 3.4Å
299G94.1Very high97.3Very high52 Ų5252.8 Ų52.854%0.53627%0.274SS..THydrogen-bonded Turntrans80.2-0.3179.700000115D297 P301 T342D297-G299 PolarHBondContact O-N 3.38Å; G299-P301 WeakPolarHBondContact O-CD 3.35Å; G299-T342 PolarHBondContact N-OG1 3.06Å
300R95.3Very high97.4Very high164 Ų16450.1 Ų50.162%0.61926%0.257SS*.  trans-117.594.6175-62.3-165.4-59.6-162.2-0.8110.2D297 W298D297-R300 PolarHBondContact O-N 3.02Å; D297-R300 VanDerWaalsContact O-N 3.14Å; D297-R300 IonicContact OD1-CZ 2.72Å; D297-R300 IonicContact OD1-NE 2.61Å; D297-R300 PolarHBondContact OD1-NE 3.1Å; D297-R300 IonicContact OD1-NH2 2.95Å; D297-R300 PolarHBondContact OD1-NH2 3.37Å; D297-R300 IonicContact OD2-CZ 3.89Å; D297-R300 VanDerWaalsContact OD2-CZ 3.23Å; D297-R300 IonicContact OD2-NE 2.87Å; D297-R300 PolarHBondContact OD2-NE 3.17Å; D297-R300 IonicContact OD2-NH2 3.23Å; D297-R300 PolarHBondContact OD2-NH2 3.05Å; W298-R300 VanDerWaalsContact C-N 3.28Å; W298-R300 PolarHBondContact O-N 3.25Å
301P96.1Very high97.4Very high66 Ų6644.3 Ų44.343%0.42923%0.23SC..  trans-57.7136.5176.8-27.937.4000112.8G299 A345 V346G299-P301 WeakPolarHBondContact O-CD 3.35Å; P301-A345 HydrophobicContact CG-CB 3.58Å; P301-V346 HydrophobicContact CB-CG2 3.78Å; P301-V346 HydrophobicContact CG-CG2 4.38Å
302T97.4Very high97.4Very high31 Ų3142.9 Ų42.919%0.1922%0.222CC..  trans-123.8-170.9172.870.50000111D308 L310T302-D308 WeakPolarHBondContact CB-OD2 3.45Å; T302-D308 VanDerWaalsContact OG1-CG 3.3Å; T302-D308 PolarHBondContact OG1-OD1 2.93Å; T302-D308 PolarHBondContact OG1-OD2 3.31Å; T302-L310 HydrophobicContact CG2-CD1 3.88Å; T302-L310 WeakPolarHBondContact OG1-CB 3.14Å
303W97.5Very high97.5Very high65 Ų6542.9 Ų42.925%0.24622%0.222CC..  trans-113.7110.8-175.2-62.9102.1000111.7S305 L350 T358 V367 I369W303-S305 PolarHBondContact O-N 3.39Å; W303-L350 HydrophobicContact CH2-CD2 4.14Å; W303-L350 HydrophobicContact CZ3-CD2 3.73Å; W303-T358 HydrophobicContact CH2-CG2 3.74Å; W303-T358 HydrophobicContact CZ2-CG2 4.14Å; W303-V367 HydrophobicContact CE3-CG1 4.11Å; W303-V367 HydrophobicContact CH2-CG1 3.83Å; W303-V367 HydrophobicContact CZ3-CG1 3.36Å; W303-I369 HydrophobicContact CD2-CD1 3.51Å; W303-I369 HydrophobicContact CD2-CG1 3.57Å; W303-I369 HydrophobicContact CD2-CG2 4.48Å; W303-I369 HydrophobicContact CE3-CD1 3.82Å; W303-I369 HydrophobicContact CE3-CG1 3.82Å; W303-I369 HydrophobicContact CG-CD1 4.22Å; W303-I369 HydrophobicContact CG-CG1 3.95Å; W303-I369 HydrophobicContact CG-CG2 4.06Å; W303-I369 HydrophobicContact CH2-CD1 3.5Å; W303-I369 HydrophobicContact CH2-CG1 4.38Å; W303-I369 HydrophobicContact CZ2-CD1 3.16Å; W303-I369 HydrophobicContact CZ2-CG1 4.18Å; W303-I369 HydrophobicContact CZ3-CD1 3.83Å; W303-I369 HydrophobicContact CZ3-CG1 4.22Å
304F98.6Very high97.6Very high6 Ų634.2 Ų34.23%0.02619%0.185CC..  trans-57.7128.8-179.8-174.1-133.5000111.9F119 V123 W126 W269 D308 K309 A311 N380 L384F119-F304 HydrophobicContact CE2-CE1 4.11Å; F119-F304 AromaticContact CE2-CE2 3.69Å; F119-F304 HydrophobicContact CE2-CE2 3.69Å; F119-F304 AromaticContact CE2-CZ 3.46Å; F119-F304 HydrophobicContact CE2-CZ 3.46Å; F119-F304 VanDerWaalsContact CE2-CZ 3.46Å; F119-F304 AromaticContact CZ-CE1 3.96Å; F119-F304 HydrophobicContact CZ-CE1 3.96Å; F119-F304 HydrophobicContact CZ-CE2 4.24Å; F119-F304 AromaticContact CZ-CZ 3.8Å; F119-F304 HydrophobicContact CZ-CZ 3.8Å; V123-F304 HydrophobicContact CG1-CE1 4.13Å; V123-F304 HydrophobicContact CG1-CZ 4.12Å; W126-F304 HydrophobicContact CZ3-CE1 4.37Å; W126-F304 HydrophobicContact CZ3-CZ 4.32Å; W269-F304 HydrophobicContact CH2-CZ 4.3Å; W269-F304 HydrophobicContact CZ2-CZ 4.2Å; F304-D308 CarbonylContact C-O 3.58Å; F304-D308 WeakPolarHBondContact CA-O 3.31Å; F304-D308 WeakPolarHBondContact CD2-O 3.45Å; F304-K309 HydrophobicContact CE2-CD 4.43Å; F304-A311 HydrophobicContact CB-CB 4.01Å; F304-N380 HydrophobicContact CB-CB 4.3Å; F304-N380 HydrophobicContact CD1-CB 3.96Å; F304-N380 WeakPolarHBondContact O-CB 3.33Å; F304-N380 PolarHBondContact O-ND2 2.97Å; F304-L384 HydrophobicContact CB-CD1 3.64Å; F304-L384 HydrophobicContact CD1-CD1 3.95Å; F304-L384 HydrophobicContact CD1-CD2 4.13Å; F304-L384 HydrophobicContact CD1-CG 4.05Å; F304-L384 HydrophobicContact CE1-CD2 4.37Å; F304-L384 HydrophobicContact CG-CD1 3.97Å
305S98.3Very high97.6Very high9 Ų930.6 Ų30.66%0.06316%0.155CC..SBendtrans-157.8-178.7-176.862.70000112.6F119 W303 D307 D308 K309 N380F119-S305 WeakPolarHBondContact CE2-O 3.31Å; F119-S305 WeakPolarHBondContact CZ-O 3.45Å; W303-S305 PolarHBondContact O-N 3.39Å; S305-D307 PolarHBondContact O-N 3.18Å; S305-D307 PolarHBondContact OG-N 2.83Å; S305-D308 PolarHBondContact N-O 3.43Å; S305-D308 PolarHBondContact OG-N 3.27Å; S305-K309 PolarHBondContact O-NZ 2.83Å; S305-N380 WeakPolarHBondContact CA-ND2 3.42Å
306W97.7Very high97.7Very high33 Ų3328.8 Ų28.813%0.12515%0.147CC..SBendtrans-64.1-17.216968.6-105.9000112.6F115 F119 Y258 K309 Y505F115-W306 AromaticContact CD1-CE3 3.82Å; F115-W306 HydrophobicContact CD1-CE3 3.82Å; F115-W306 AromaticContact CD1-CZ3 3.83Å; F115-W306 HydrophobicContact CD1-CZ3 3.83Å; F115-W306 AromaticContact CE1-CE3 3.67Å; F115-W306 HydrophobicContact CE1-CE3 3.67Å; F115-W306 AromaticContact CE1-CZ3 3.57Å; F115-W306 HydrophobicContact CE1-CZ3 3.57Å; F115-W306 HydrophobicContact CZ-CE3 4.32Å; F115-W306 WeakPolarHBondContact CZ-O 3.41Å; F119-W306 HydrophobicContact CB-CB 4.16Å; F119-W306 HydrophobicContact CD1-CB 3.88Å; F119-W306 HydrophobicContact CE1-CB 4.45Å; F119-W306 HydrophobicContact CG-CB 3.99Å; Y258-W306 AromaticContact CD1-CD2 3.83Å; Y258-W306 HydrophobicContact CD1-CD2 3.83Å; Y258-W306 AromaticContact CD1-CE2 3.73Å; Y258-W306 AromaticContact CD1-CE3 3.73Å; Y258-W306 HydrophobicContact CD1-CE3 3.73Å; Y258-W306 AromaticContact CD1-CH2 3.62Å; Y258-W306 HydrophobicContact CD1-CH2 3.62Å; Y258-W306 AromaticContact CD1-CZ2 3.64Å; Y258-W306 HydrophobicContact CD1-CZ2 3.64Å; Y258-W306 AromaticContact CD1-CZ3 3.64Å; Y258-W306 HydrophobicContact CD1-CZ3 3.64Å; Y258-W306 HydrophobicContact CE1-CD2 4.06Å; Y258-W306 AromaticContact CE1-CE2 3.89Å; Y258-W306 HydrophobicContact CE1-CE3 4.38Å; Y258-W306 HydrophobicContact CE1-CZ2 4.15Å; Y258-W306 HydrophobicContact CG-CH2 4.35Å; Y258-W306 HydrophobicContact CG-CZ3 4.37Å; W306-K309 VanDerWaalsContact O-CE 3.27Å; W306-K309 WeakPolarHBondContact O-CE 3.49Å; W306-K309 PolarHBondContact O-NZ 2.89Å; W306-Y505 AromaticContact CD1-CD2 3.81Å; W306-Y505 AromaticContact CD1-CE2 3.65Å; W306-Y505 AromaticContact CD1-CZ 3.82Å
307D98Very high97.6Very high20 Ų2028.8 Ų28.811%0.10715%0.147CC..SBendtrans-106-33.2-179.2-174.449000113.6S260 T261 E266 S305S260-D307 WeakPolarHBondContact CA-OD1 3.34Å; T261-D307 WeakPolarHBondContact CB-OD2 3.33Å; T261-D307 WeakPolarHBondContact CG2-OD2 3.43Å; T261-D307 PolarHBondContact N-OD1 3.44Å; T261-D307 PolarHBondContact OG1-OD2 2.9Å; E266-D307 VanDerWaalsContact OE1-O 3.09Å; S305-D307 PolarHBondContact O-N 3.18Å; S305-D307 PolarHBondContact OG-N 2.83Å
308D98.3Very high97.7Very high29 Ų2926.8 Ų26.816%0.15514%0.136CC..  trans-117.3113.6-178.9-179.6-29.9000109.9D265 T302 F304 S305 L310D265-D308 WeakPolarHBondContact OD2-CA 3.43Å; T302-D308 WeakPolarHBondContact CB-OD2 3.45Å; T302-D308 VanDerWaalsContact OG1-CG 3.3Å; T302-D308 PolarHBondContact OG1-OD1 2.93Å; T302-D308 PolarHBondContact OG1-OD2 3.31Å; F304-D308 CarbonylContact C-O 3.58Å; F304-D308 WeakPolarHBondContact CA-O 3.31Å; F304-D308 WeakPolarHBondContact CD2-O 3.45Å; S305-D308 PolarHBondContact N-O 3.43Å; S305-D308 PolarHBondContact OG-N 3.27Å; D308-L310 VanDerWaalsContact OD1-CB 3.27Å; D308-L310 WeakPolarHBondContact OD1-CB 3.33Å; D308-L310 WeakPolarHBondContact OD1-CG 3.33Å; D308-L310 PolarHBondContact OD1-N 3.08Å
309K98.7Very high97.7Very high0 Ų023.7 Ų23.70%012%0.124CC..  trans-95.4-4.6-178.6-44.4-57.2159167.30113.8F119 E206 D265 E266 W269 F304 S305 W306 A311 G312 T313F119-K309 HydrophobicContact CD2-CD 4.34Å; F119-K309 HydrophobicContact CE2-CD 4.43Å; E206-K309 WeakPolarHBondContact OE2-CD 3.13Å; E206-K309 WeakPolarHBondContact OE2-CE 3.41Å; E206-K309 IonicContact OE2-NZ 3.75Å; E206-K309 PolarHBondContact OE2-NZ 3.42Å; D265-K309 HydrophobicContact CB-CB 4.17Å; D265-K309 PolarHBondContact OD2-N 3.15Å; E266-K309 HydrophobicContact CG-CG 4.01Å; E266-K309 WeakPolarHBondContact OE1-CE 3.46Å; W269-K309 HydrophobicContact CB-CB 3.79Å; W269-K309 HydrophobicContact CB-CG 3.98Å; W269-K309 HydrophobicContact CD2-CB 4.34Å; W269-K309 HydrophobicContact CG-CB 3.94Å; W269-K309 HydrophobicContact CG-CD 4.34Å; W269-K309 HydrophobicContact CG-CG 4.01Å; F304-K309 HydrophobicContact CE2-CD 4.43Å; S305-K309 PolarHBondContact O-NZ 2.83Å; W306-K309 VanDerWaalsContact O-CE 3.27Å; W306-K309 WeakPolarHBondContact O-CE 3.49Å; W306-K309 PolarHBondContact O-NZ 2.89Å; K309-A311 PolarHBondContact O-N 2.95Å; K309-G312 PolarHBondContact O-N 3.37Å; K309-T313 WeakPolarHBondContact O-CB 3.15Å; K309-T313 PolarHBondContact O-N 3.18Å; K309-T313 PolarHBondContact O-OG1 3.07Å
310L98.7Very high97.7Very high17 Ų1722 Ų229%0.08910%0.103CC..Hα-helixtrans-61.7-53.1-166.9-66.8171.8000111.5D265 F295 D297 T302 D308 G312 T313 Q314D265-L310 HydrophobicContact CB-CD2 3.57Å; D265-L310 HydrophobicContact CB-CG 3.72Å; F295-L310 VanDerWaalsContact O-CD2 3.26Å; F295-L310 WeakPolarHBondContact O-CD2 3.48Å; D297-L310 HydrophobicContact CB-CD1 3.98Å; T302-L310 HydrophobicContact CG2-CD1 3.88Å; T302-L310 WeakPolarHBondContact OG1-CB 3.14Å; D308-L310 VanDerWaalsContact OD1-CB 3.27Å; D308-L310 WeakPolarHBondContact OD1-CB 3.33Å; D308-L310 WeakPolarHBondContact OD1-CG 3.33Å; D308-L310 PolarHBondContact OD1-N 3.08Å; L310-G312 VanDerWaalsContact C-N 3.3Å; L310-G312 PolarHBondContact O-N 3.1Å; L310-T313 PolarHBondContact O-N 3.29Å; L310-Q314 WeakPolarHBondContact O-CB 3.26Å; L310-Q314 WeakPolarHBondContact O-CG 3.47Å; L310-Q314 PolarHBondContact O-N 3.43Å; L310-Q314 PolarHBondContact O-NE2 2.96Å
311A98.7Very high97.7Very high1 Ų116.7 Ų16.71%0.0089%0.087CC..Hα-helixtrans-61-38179.100000112.7F304 K309 V315 V346 L384F304-A311 HydrophobicContact CB-CB 4.01Å; K309-A311 PolarHBondContact O-N 2.95Å; A311-V315 WeakPolarHBondContact O-CG2 3.34Å; A311-V315 PolarHBondContact O-N 3.13Å; A311-V315 VanDerWaalsContact O-N 3.11Å; A311-V346 HydrophobicContact CB-CG1 4.4Å; A311-V346 HydrophobicContact CB-CG2 4.08Å; A311-L384 HydrophobicContact CB-CD1 4.02Å
312G98.8Very high97.6Very high0 Ų014.6 Ų14.60%07%0.071CC..Hα-helixtrans-65.5-46.6174.400000112.5W126 K309 L310 Q314 V315 L316W126-G312 WeakPolarHBondContact CH2-O 3.22Å; K309-G312 PolarHBondContact O-N 3.37Å; L310-G312 VanDerWaalsContact C-N 3.3Å; L310-G312 PolarHBondContact O-N 3.1Å; G312-Q314 VanDerWaalsContact C-N 3.33Å; G312-Q314 PolarHBondContact O-N 2.59Å; G312-V315 PolarHBondContact O-N 3.46Å; G312-L316 WeakPolarHBondContact O-CB 3.43Å; G312-L316 PolarHBondContact O-N 3.42Å
313T98.8Very high97.4Very high0 Ų015 Ų150%07%0.07CC..Hα-helixtrans-60.7-41.4177-57.60000111.5L268 W269 K309 L310 L316 L317 Y339L268-T313 HydrophobicContact CB-CG2 4.17Å; W269-T313 VanDerWaalsContact CE3-OG1 3.28Å; K309-T313 WeakPolarHBondContact O-CB 3.15Å; K309-T313 PolarHBondContact O-N 3.18Å; K309-T313 PolarHBondContact O-OG1 3.07Å; L310-T313 PolarHBondContact O-N 3.29Å; T313-L316 PolarHBondContact O-N 3.04Å; T313-L317 HydrophobicContact CG2-CD1 3.88Å; T313-L317 HydrophobicContact CG2-CG 4.41Å; T313-L317 WeakPolarHBondContact O-CB 3.47Å; T313-L317 PolarHBondContact O-N 3.29Å; T313-Y339 HydrophobicContact CG2-CE1 3.98Å
314Q98.7Very high96.8Very high1 Ų114 Ų141%0.0058%0.08CC..Hα-helixtrans-64.1-46.1178.2-68.6152.813.500111.8A296 L310 G312 S318 Y339 T342 A343A296-Q314 PolarHBondContact O-NE2 2.83Å; L310-Q314 WeakPolarHBondContact O-CB 3.26Å; L310-Q314 WeakPolarHBondContact O-CG 3.47Å; L310-Q314 PolarHBondContact O-N 3.43Å; L310-Q314 PolarHBondContact O-NE2 2.96Å; G312-Q314 VanDerWaalsContact C-N 3.33Å; G312-Q314 PolarHBondContact O-N 2.59Å; Q314-S318 VanDerWaalsContact O-CB 3.3Å; Q314-S318 WeakPolarHBondContact O-CB 3.34Å; Q314-S318 PolarHBondContact O-N 2.87Å; Q314-Y339 HydrophobicContact CB-CD1 4.28Å; Q314-Y339 HydrophobicContact CG-CD1 3.78Å; Q314-Y339 HydrophobicContact CG-CE1 4.38Å; Q314-T342 VanDerWaalsContact CD-CG2 3.44Å; Q314-T342 HydrophobicContact CG-CG2 4.22Å; Q314-A343 HydrophobicContact CB-CB 4.17Å
315V98.7Very high95.7Very high0 Ų015.1 Ų15.10%09%0.088CC..Hα-helixtrans-64-48.2174.8171.20000110.4W126 A311 G312 L317 S318 A343 L384 V387 Y388 Y391W126-V315 HydrophobicContact CH2-CB 4.25Å; W126-V315 HydrophobicContact CH2-CG1 4.09Å; W126-V315 HydrophobicContact CZ2-CG1 4.09Å; A311-V315 WeakPolarHBondContact O-CG2 3.34Å; A311-V315 PolarHBondContact O-N 3.13Å; A311-V315 VanDerWaalsContact O-N 3.11Å; G312-V315 PolarHBondContact O-N 3.46Å; V315-L317 PolarHBondContact O-N 3.26Å; V315-S318 WeakPolarHBondContact O-CB 3.41Å; V315-S318 PolarHBondContact O-N 2.91Å; V315-S318 PolarHBondContact O-OG 3.34Å; V315-A343 HydrophobicContact CG2-CB 4.09Å; V315-L384 HydrophobicContact CB-CD2 4.06Å; V315-L384 HydrophobicContact CG1-CD2 4.17Å; V315-L384 HydrophobicContact CG2-CB 4.24Å; V315-L384 HydrophobicContact CG2-CD1 4.33Å; V315-L384 HydrophobicContact CG2-CD2 4.2Å; V315-L384 HydrophobicContact CG2-CG 4.49Å; V315-V387 HydrophobicContact CG1-CB 4.44Å; V315-V387 HydrophobicContact CG1-CG1 3.97Å; V315-Y388 HydrophobicContact CG1-CD2 4.37Å; V315-Y388 HydrophobicContact CG2-CD2 4.35Å; V315-Y391 HydrophobicContact CG1-CE2 4.24Å; V315-Y391 WeakPolarHBondContact O-CE2 3.46Å
316L98.3Very high94.3Very high0 Ų023.2 Ų23.20%012%0.122CC..Hα-helixtrans-55.5-54.3178.7178.263.6000111.3W126 W269 W273 G312 T313 S318 R319 F527W126-L316 HydrophobicContact CH2-CB 4.04Å; W126-L316 HydrophobicContact CZ2-CB 3.97Å; W126-L316 HydrophobicContact CZ2-CD1 4.24Å; W269-L316 HydrophobicContact CE3-CD2 4.11Å; W269-L316 HydrophobicContact CH2-CD2 4.21Å; W269-L316 HydrophobicContact CZ3-CB 4.03Å; W269-L316 HydrophobicContact CZ3-CD2 3.56Å; W269-L316 HydrophobicContact CZ3-CG 4.44Å; W273-L316 HydrophobicContact CD2-CD2 3.96Å; W273-L316 HydrophobicContact CE3-CD2 4.48Å; W273-L316 HydrophobicContact CG-CD2 4.37Å; W273-L316 HydrophobicContact CH2-CD1 3.88Å; W273-L316 HydrophobicContact CH2-CD2 4.34Å; W273-L316 HydrophobicContact CZ2-CD1 4.04Å; W273-L316 HydrophobicContact CZ2-CD2 3.8Å; W273-L316 HydrophobicContact CZ3-CD1 4.3Å; G312-L316 WeakPolarHBondContact O-CB 3.43Å; G312-L316 PolarHBondContact O-N 3.42Å; T313-L316 PolarHBondContact O-N 3.04Å; L316-S318 VanDerWaalsContact C-N 3.31Å; L316-S318 PolarHBondContact O-N 3.09Å; L316-R319 VanDerWaalsContact O-CB 3.27Å; L316-R319 WeakPolarHBondContact O-CB 3.24Å; L316-R319 VanDerWaalsContact O-CD 3.28Å; L316-R319 WeakPolarHBondContact O-CD 3.27Å; L316-R319 WeakPolarHBondContact O-CG 3.46Å; L316-R319 PolarHBondContact O-N 3.28Å; L316-F527 HydrophobicContact CD1-CE2 4.41Å
317L97.4Very high93.5Very high0 Ų028.6 Ų28.60%015%0.149CC..Hα-helixtrans-71-23.7-178.3-71175.5000113.4S272 V287 T313 V315 R319 L320 L336 Y339S272-L317 WeakPolarHBondContact OG-CD1 3.36Å; V287-L317 HydrophobicContact CB-CD1 4.2Å; V287-L317 HydrophobicContact CG2-CD1 3.81Å; V287-L317 HydrophobicContact CG2-CD2 4.26Å; T313-L317 HydrophobicContact CG2-CD1 3.88Å; T313-L317 HydrophobicContact CG2-CG 4.41Å; T313-L317 WeakPolarHBondContact O-CB 3.47Å; T313-L317 PolarHBondContact O-N 3.29Å; V315-L317 PolarHBondContact O-N 3.26Å; L317-R319 PolarHBondContact O-N 3.38Å; L317-R319 VanDerWaalsContact O-N 3.15Å; L317-L320 HydrophobicContact CD2-CD1 3.81Å; L317-L320 WeakPolarHBondContact O-CB 3.33Å; L317-L320 PolarHBondContact O-N 3.26Å; L317-L336 HydrophobicContact CB-CD2 4.23Å; L317-L336 HydrophobicContact CD2-CD2 4.43Å; L317-Y339 HydrophobicContact CB-CD1 4.43Å; L317-Y339 HydrophobicContact CB-CD2 4.21Å; L317-Y339 HydrophobicContact CB-CG 4Å; L317-Y339 HydrophobicContact CD1-CD1 3.98Å; L317-Y339 HydrophobicContact CD1-CD2 3.65Å; L317-Y339 HydrophobicContact CD1-CE1 3.74Å; L317-Y339 HydrophobicContact CD1-CE2 3.43Å; L317-Y339 VanDerWaalsContact CD1-CE2 3.43Å; L317-Y339 HydrophobicContact CD1-CG 3.91Å; L317-Y339 VanDerWaalsContact CD1-CZ 3.44Å
318S97.3Very high93Very high0 Ų029.4 Ų29.40%016%0.155CC..Hα-helixtrans-57.6-28172.880.10000112.1Q314 V315 L316 L320 N321 F322Q314-S318 VanDerWaalsContact O-CB 3.3Å; Q314-S318 WeakPolarHBondContact O-CB 3.34Å; Q314-S318 PolarHBondContact O-N 2.87Å; V315-S318 WeakPolarHBondContact O-CB 3.41Å; V315-S318 PolarHBondContact O-N 2.91Å; V315-S318 PolarHBondContact O-OG 3.34Å; L316-S318 VanDerWaalsContact C-N 3.31Å; L316-S318 PolarHBondContact O-N 3.09Å; S318-L320 PolarHBondContact O-N 3.36Å; S318-N321 WeakPolarHBondContact O-CA 3.46Å; S318-N321 WeakPolarHBondContact O-CB 3.15Å; S318-N321 PolarHBondContact O-N 3.05Å; S318-F322 VanDerWaalsContact O-CD2 3.27Å; S318-F322 WeakPolarHBondContact O-CD2 3.16Å; S318-F322 PolarHBondContact O-N 3.14Å
319R95.7Very high92.7Very high4 Ų430.5 Ų30.52%0.01517%0.165CC..Hα-helixtrans-58-37.2175.987.4-173.7-84.1127.22.6112.7E130 H276 L316 L317 N321 F322 F323 Y391 A524 F527E130-R319 IonicContact OE1-CZ 2.92Å; E130-R319 IonicContact OE1-NH1 3.54Å; E130-R319 PolarHBondContact OE1-NH1 3.21Å; E130-R319 IonicContact OE2-NH1 3.04Å; E130-R319 PolarHBondContact OE2-NH1 3.41Å; H276-R319 VanDerWaalsContact CE1-CD 3.44Å; H276-R319 WeakPolarHBondContact CE1-CD 3.35Å; L316-R319 VanDerWaalsContact O-CB 3.27Å; L316-R319 WeakPolarHBondContact O-CB 3.24Å; L316-R319 VanDerWaalsContact O-CD 3.28Å; L316-R319 WeakPolarHBondContact O-CD 3.27Å; L316-R319 WeakPolarHBondContact O-CG 3.46Å; L316-R319 PolarHBondContact O-N 3.28Å; L317-R319 PolarHBondContact O-N 3.38Å; L317-R319 VanDerWaalsContact O-N 3.15Å; R319-N321 PolarHBondContact O-N 3.38Å; R319-F322 PolarHBondContact O-N 2.97Å; R319-F322 VanDerWaalsContact O-N 3.15Å; R319-F323 HydrophobicContact CB-CD2 4.11Å; R319-F323 HydrophobicContact CB-CE2 4.23Å; R319-F323 WeakPolarHBondContact O-CD2 3.4Å; R319-F323 PolarHBondContact O-N 3.18Å; R319-Y391 HydrophobicContact CB-CD2 4.1Å; R319-Y391 HydrophobicContact CB-CE1 4.5Å; R319-Y391 HydrophobicContact CB-CE2 3.63Å; R319-Y391 PolarHBondContact NH1-OH 3.24Å; R319-A524 PolarHBondContact NH2-O 2.96Å; R319-F527 VanDerWaalsContact CZ-CE2 3.46Å; R319-F527 VanDerWaalsContact NH1-CE2 3.29Å; R319-F527 VanDerWaalsContact NH2-CE1 3.31Å
320L95.1Very high92.5Very high16 Ų1637 Ų378%0.08420%0.2CC..Hα-helixtrans-69.4-27.6179.7-62.1176.8000110.9Y275 L284 L317 S318 G324 L336Y275-L320 HydrophobicContact CD1-CD1 3.77Å; Y275-L320 HydrophobicContact CE1-CD1 3.38Å; Y275-L320 HydrophobicContact CE1-CD2 3.74Å; Y275-L320 HydrophobicContact CE1-CG 4.21Å; L284-L320 HydrophobicContact CD1-CD1 4.01Å; L317-L320 HydrophobicContact CD2-CD1 3.81Å; L317-L320 WeakPolarHBondContact O-CB 3.33Å; L317-L320 PolarHBondContact O-N 3.26Å; S318-L320 PolarHBondContact O-N 3.36Å; L320-G324 CarbonylContact O-C 3.25Å; L320-G324 VanDerWaalsContact O-C 3.25Å; L320-G324 WeakPolarHBondContact O-CA 3.34Å; L320-G324 PolarHBondContact O-N 3.38Å; L320-G324 VanDerWaalsContact O-N 3.08Å; L320-L336 HydrophobicContact CB-CD1 3.87Å; L320-L336 HydrophobicContact CB-CD2 3.97Å; L320-L336 HydrophobicContact CD1-CD2 3.96Å
321N94Very high92.3Very high53 Ų5338.2 Ų38.228%0.28321%0.212SC..Hα-helixtrans-77-36.5170.1-169.5-95.2000112.4S318 R319 L336 R340S318-N321 WeakPolarHBondContact O-CA 3.46Å; S318-N321 WeakPolarHBondContact O-CB 3.15Å; S318-N321 PolarHBondContact O-N 3.05Å; R319-N321 PolarHBondContact O-N 3.38Å; N321-L336 HydrophobicContact CB-CB 4.5Å; N321-R340 HydrophobicContact CB-CB 4.36Å; N321-R340 WeakPolarHBondContact OD1-CD 3.23Å; N321-R340 PolarHBondContact OD1-NH1 2.89Å
322F94.9Very high92.2Very high22 Ų2238.7 Ų38.710%0.09621%0.214CC..Hα-helixtrans-68.8-47177.7-82.3-64.8000113.7S318 R319 Y388 Y391 M392 S395 T397S318-F322 VanDerWaalsContact O-CD2 3.27Å; S318-F322 WeakPolarHBondContact O-CD2 3.16Å; S318-F322 PolarHBondContact O-N 3.14Å; R319-F322 PolarHBondContact O-N 2.97Å; R319-F322 VanDerWaalsContact O-N 3.15Å; F322-Y388 HydrophobicContact CE2-CD2 4.29Å; F322-Y388 HydrophobicContact CE2-CE1 4.38Å; F322-Y388 AromaticContact CE2-CE2 3.62Å; F322-Y388 HydrophobicContact CE2-CE2 3.62Å; F322-Y388 AromaticContact CE2-CZ 3.66Å; F322-Y388 HydrophobicContact CZ-CE1 4.04Å; F322-Y388 HydrophobicContact CZ-CE2 4.06Å; F322-Y388 AromaticContact CZ-CZ 3.58Å; F322-Y388 VanDerWaalsContact CZ-OH 3.32Å; F322-Y388 WeakPolarHBondContact CZ-OH 3.24Å; F322-Y391 HydrophobicContact CD2-CD2 4.11Å; F322-Y391 HydrophobicContact CD2-CG 4.36Å; F322-Y391 HydrophobicContact CE2-CD2 4.34Å; F322-M392 HydrophobicContact CE1-CG 4.18Å; F322-M392 HydrophobicContact CZ-CG 3.9Å; F322-S395 WeakPolarHBondContact CD1-OG 3.35Å; F322-T397 HydrophobicContact CE1-CG2 4.15Å; F322-T397 WeakPolarHBondContact CE1-OG1 3.27Å
323F94.2Very high92.1Very high40 Ų4041.6 Ų41.618%0.17523%0.229CC..Hα-helixtrans-104-7.7-171.4-53.8-52.3000113.3R319 Y391 T394 V523 Q525R319-F323 HydrophobicContact CB-CD2 4.11Å; R319-F323 HydrophobicContact CB-CE2 4.23Å; R319-F323 WeakPolarHBondContact O-CD2 3.4Å; R319-F323 PolarHBondContact O-N 3.18Å; F323-Y391 AromaticContact CE2-CD1 3.93Å; F323-Y391 HydrophobicContact CE2-CD1 3.93Å; F323-Y391 HydrophobicContact CE2-CE1 4.37Å; F323-Y391 HydrophobicContact CE2-CG 4.24Å; F323-Y391 HydrophobicContact CZ-CD1 4.11Å; F323-Y391 HydrophobicContact CZ-CG 4.37Å; F323-T394 HydrophobicContact CE1-CG2 3.66Å; F323-T394 HydrophobicContact CZ-CG2 4.04Å; F323-V523 HydrophobicContact CE2-CG2 4.02Å; F323-V523 HydrophobicContact CZ-CG2 3.62Å; F323-Q525 HydrophobicContact CB-CB 4.29Å; F323-Q525 HydrophobicContact CD1-CG 4.12Å; F323-Q525 HydrophobicContact CG-CB 4.32Å; F323-Q525 HydrophobicContact CG-CG 4.42Å
324G84.1Confident91.9Very high43 Ų4347.6 Ų47.644%0.44326%0.259SS..  trans82.7161.6-174.900000113L320L320-G324 CarbonylContact O-C 3.25Å; L320-G324 VanDerWaalsContact O-C 3.25Å; L320-G324 WeakPolarHBondContact O-CA 3.34Å; L320-G324 PolarHBondContact O-N 3.38Å; L320-G324 VanDerWaalsContact O-N 3.08Å
325S74.8Confident91.9Very high29 Ų2947.6 Ų47.620%0.20326%0.259CS..  trans-113153.8168.457.50000108.9Q327 T328S325-Q327 VanDerWaalsContact C-N 3.25Å; S325-Q327 PolarHBondContact O-N 3.02Å; S325-T328 WeakPolarHBondContact OG-CB 3.4Å; S325-T328 WeakPolarHBondContact OG-CG2 3.3Å; S325-T328 PolarHBondContact OG-OG1 2.96Å
326K69.9Low91.8Very high179 Ų17947.6 Ų47.678%0.77826%0.259SS*.SBendtrans-62.3-34.2-178.6-73.7177.1179165.80112.1
327Q80Confident91.7Very high147 Ų14752.8 Ų52.869%0.68728%0.282SS*.SBendtrans-154.2119179.1-62.6-178-11.400108.8Q281 S325Q281-Q327 PolarHBondContact OE1-O 2.68Å; S325-Q327 VanDerWaalsContact C-N 3.25Å; S325-Q327 PolarHBondContact O-N 3.02Å
328T87.1Confident91.8Very high37 Ų3756 Ų5623%0.22730%0.298CS..  trans-135.7138.2170.336.50000110.9L284 S325 E332 N333 L336L284-T328 HydrophobicContact CD2-CG2 3.47Å; L284-T328 VanDerWaalsContact CD2-CG2 3.47Å; S325-T328 WeakPolarHBondContact OG-CB 3.4Å; S325-T328 WeakPolarHBondContact OG-CG2 3.3Å; S325-T328 PolarHBondContact OG-OG1 2.96Å; T328-E332 HydrophobicContact CG2-CB 3.96Å; T328-N333 VanDerWaalsContact CB-OD1 3.31Å; T328-N333 WeakPolarHBondContact CB-OD1 3.39Å; T328-N333 PolarHBondContact OG1-ND2 2.67Å; T328-N333 PolarHBondContact OG1-OD1 2.81Å; T328-L336 HydrophobicContact CG2-CD1 4.13Å
329S93.1Very high91.8Very high52 Ų5256 Ų5636%0.36430%0.298SS..  trans-67163.2166.169.20000111.3A331 E332 N333S329-A331 PolarHBondContact O-N 2.88Å; S329-E332 VanDerWaalsContact CB-OE2 3.29Å; S329-E332 WeakPolarHBondContact CB-OE2 3.27Å; S329-E332 PolarHBondContact N-OE2 2.92Å; S329-E332 PolarHBondContact O-N 3.46Å; S329-E332 VanDerWaalsContact OG-CD 3.28Å; S329-E332 VanDerWaalsContact OG-CG 3.31Å; S329-E332 WeakPolarHBondContact OG-CG 3.38Å; S329-E332 PolarHBondContact OG-N 2.7Å; S329-E332 VanDerWaalsContact OG-N 3.15Å; S329-E332 PolarHBondContact OG-OE2 3.35Å; S329-N333 WeakPolarHBondContact O-CB 3.49Å; S329-N333 PolarHBondContact O-N 3.06Å; S329-N333 PolarHBondContact O-ND2 3.4Å
330N94Very high91.9Very high137 Ų13758 Ų5873%0.73331%0.305SS*.Hα-helixtrans-60.1-33.2173.6-71.2-15000112.2M334N330-M334 WeakPolarHBondContact O-CG 3.22Å; N330-M334 PolarHBondContact O-N 3.4Å; N330-M334 VanDerWaalsContact O-N 3.1Å
331A94.9Very high92Very high42 Ų4259.8 Ų59.835%0.34732%0.315SS..Hα-helixtrans-68.2-47178.400000111.6V289 S329 N333 M334 G335V289-A331 HydrophobicContact CG2-CB 3.85Å; S329-A331 PolarHBondContact O-N 2.88Å; A331-N333 VanDerWaalsContact C-N 3.33Å; A331-N333 PolarHBondContact O-N 2.68Å; A331-M334 WeakPolarHBondContact O-CB 2.96Å; A331-M334 PolarHBondContact O-N 3.33Å; A331-G335 PolarHBondContact O-N 3.22Å; A331-G335 VanDerWaalsContact O-N 3.09Å
332E96.5Very high92.3Very high11 Ų1157.2 Ų57.25%0.05130%0.301CS..Hα-helixtrans-62.4-41.8176.3-69.2158.1146.900111.2L284 S285 T288 V289 T328 S329 M334 G335 L336L284-E332 HydrophobicContact CD2-CB 4.49Å; L284-E332 HydrophobicContact CG-CG 4.35Å; S285-E332 PolarHBondContact OG-OE1 2.85Å; T288-E332 WeakPolarHBondContact OG1-CA 3.33Å; T288-E332 VanDerWaalsContact OG1-CG 3.3Å; T288-E332 WeakPolarHBondContact OG1-CG 3.23Å; V289-E332 HydrophobicContact CG2-CG 3.87Å; T328-E332 HydrophobicContact CG2-CB 3.96Å; S329-E332 VanDerWaalsContact CB-OE2 3.29Å; S329-E332 WeakPolarHBondContact CB-OE2 3.27Å; S329-E332 PolarHBondContact N-OE2 2.92Å; S329-E332 PolarHBondContact O-N 3.46Å; S329-E332 VanDerWaalsContact OG-CD 3.28Å; S329-E332 VanDerWaalsContact OG-CG 3.31Å; S329-E332 WeakPolarHBondContact OG-CG 3.38Å; S329-E332 PolarHBondContact OG-N 2.7Å; S329-E332 VanDerWaalsContact OG-N 3.15Å; S329-E332 PolarHBondContact OG-OE2 3.35Å; E332-M334 VanDerWaalsContact C-N 3.29Å; E332-M334 PolarHBondContact O-N 3.49Å; E332-G335 PolarHBondContact O-N 3.04Å; E332-G335 VanDerWaalsContact O-N 3.13Å; E332-L336 WeakPolarHBondContact O-CG 3.33Å; E332-L336 PolarHBondContact O-N 3.25Å
333N95.6Very high92.4Very high60 Ų6056.2 Ų56.232%0.32130%0.297SS..Hα-helixtrans-61.3-35.5175.8-78-35.7000113.1T328 S329 A331 K337T328-N333 VanDerWaalsContact CB-OD1 3.31Å; T328-N333 WeakPolarHBondContact CB-OD1 3.39Å; T328-N333 PolarHBondContact OG1-ND2 2.67Å; T328-N333 PolarHBondContact OG1-OD1 2.81Å; S329-N333 WeakPolarHBondContact O-CB 3.49Å; S329-N333 PolarHBondContact O-N 3.06Å; S329-N333 PolarHBondContact O-ND2 3.4Å; A331-N333 VanDerWaalsContact C-N 3.33Å; A331-N333 PolarHBondContact O-N 2.68Å; N333-K337 WeakPolarHBondContact O-CB 3.3Å; N333-K337 PolarHBondContact O-N 3.48Å
334M96.2Very high92.6Very high126 Ų12656 Ų5662%0.62130%0.296SS*.Hα-helixtrans-66.8-42.7173-73.7-174.4-65.600111.7N330 A331 E332 K337 M338N330-M334 WeakPolarHBondContact O-CG 3.22Å; N330-M334 PolarHBondContact O-N 3.4Å; N330-M334 VanDerWaalsContact O-N 3.1Å; A331-M334 WeakPolarHBondContact O-CB 2.96Å; A331-M334 PolarHBondContact O-N 3.33Å; E332-M334 VanDerWaalsContact C-N 3.29Å; E332-M334 PolarHBondContact O-N 3.49Å; M334-K337 WeakPolarHBondContact O-CB 3.5Å; M334-K337 PolarHBondContact O-N 2.9Å; M334-M338 WeakPolarHBondContact O-CG 3.49Å; M334-M338 PolarHBondContact O-N 2.84Å
335G97.3Very high93.3Very high2 Ų255.6 Ų55.62%0.02129%0.289CS..Hα-helixtrans-61.6-48175.200000112.3A331 E332 K337 M338 Y339A331-G335 PolarHBondContact O-N 3.22Å; A331-G335 VanDerWaalsContact O-N 3.09Å; E332-G335 PolarHBondContact O-N 3.04Å; E332-G335 VanDerWaalsContact O-N 3.13Å; G335-K337 VanDerWaalsContact C-N 3.28Å; G335-K337 PolarHBondContact O-N 3.17Å; G335-M338 WeakPolarHBondContact O-CA 3.29Å; G335-M338 WeakPolarHBondContact O-CB 3.27Å; G335-M338 PolarHBondContact O-N 3.29Å; G335-Y339 VanDerWaalsContact O-CD2 3.24Å; G335-Y339 WeakPolarHBondContact O-CD2 3.21Å; G335-Y339 PolarHBondContact O-N 3.42Å
336L97.3Very high94.4Very high0 Ų054.8 Ų54.80%028%0.283CS..Hα-helixtrans-59.4-37.9175.8-70.7179000112.6L284 T288 L317 L320 N321 T328 E332 M338 Y339 R340L284-L336 HydrophobicContact CD1-CD2 4.09Å; T288-L336 HydrophobicContact CG2-CD2 4.06Å; T288-L336 HydrophobicContact CG2-CG 4.06Å; L317-L336 HydrophobicContact CB-CD2 4.23Å; L317-L336 HydrophobicContact CD2-CD2 4.43Å; L320-L336 HydrophobicContact CB-CD1 3.87Å; L320-L336 HydrophobicContact CB-CD2 3.97Å; L320-L336 HydrophobicContact CD1-CD2 3.96Å; N321-L336 HydrophobicContact CB-CB 4.5Å; T328-L336 HydrophobicContact CG2-CD1 4.13Å; E332-L336 WeakPolarHBondContact O-CG 3.33Å; E332-L336 PolarHBondContact O-N 3.25Å; L336-M338 VanDerWaalsContact C-N 3.31Å; L336-M338 PolarHBondContact O-N 3.42Å; L336-Y339 PolarHBondContact O-N 3.49Å; L336-R340 PolarHBondContact O-N 2.9Å
337K96.9Very high95.8Very high108 Ų10846.3 Ų46.347%0.4725%0.246SC..Hα-helixtrans-61.9-40.8172.7-178.8175169.345.90111.3N333 M334 G335 R340 D341N333-K337 WeakPolarHBondContact O-CB 3.3Å; N333-K337 PolarHBondContact O-N 3.48Å; M334-K337 WeakPolarHBondContact O-CB 3.5Å; M334-K337 PolarHBondContact O-N 2.9Å; G335-K337 VanDerWaalsContact C-N 3.28Å; G335-K337 PolarHBondContact O-N 3.17Å; K337-R340 PolarHBondContact O-N 3.49Å; K337-D341 IonicContact NZ-OD1 3.37Å; K337-D341 PolarHBondContact NZ-OD1 3.2Å; K337-D341 VanDerWaalsContact NZ-OD1 3.08Å; K337-D341 IonicContact NZ-OD2 3.51Å; K337-D341 PolarHBondContact NZ-OD2 2.97Å; K337-D341 WeakPolarHBondContact O-CB 3.45Å; K337-D341 PolarHBondContact O-N 2.77Å
338M98Very high96.7Very high67 Ų6739.6 Ų39.633%0.3322%0.215SC..Hα-helixtrans-70-35.6179.2-63.6-85.45400113.2W298 M334 G335 L336 D341 T342W298-M338 HydrophobicContact CB-CB 4.22Å; W298-M338 HydrophobicContact CD2-CB 3.49Å; W298-M338 VanDerWaalsContact CD2-CB 3.49Å; W298-M338 HydrophobicContact CD2-CG 4.14Å; W298-M338 HydrophobicContact CE3-CB 3.86Å; W298-M338 HydrophobicContact CE3-CG 3.98Å; W298-M338 HydrophobicContact CG-CB 3.66Å; W298-M338 HydrophobicContact CZ2-CB 4.36Å; W298-M338 HydrophobicContact CZ3-CB 4.44Å; W298-M338 HydrophobicContact CZ3-CG 4.34Å; M334-M338 WeakPolarHBondContact O-CG 3.49Å; M334-M338 PolarHBondContact O-N 2.84Å; G335-M338 WeakPolarHBondContact O-CA 3.29Å; G335-M338 WeakPolarHBondContact O-CB 3.27Å; G335-M338 PolarHBondContact O-N 3.29Å; L336-M338 VanDerWaalsContact C-N 3.31Å; L336-M338 PolarHBondContact O-N 3.42Å; M338-D341 HydrophobicContact CE-CB 3.83Å; M338-D341 WeakPolarHBondContact CE-OD2 3.48Å; M338-D341 PolarHBondContact O-N 3.02Å; M338-T342 WeakPolarHBondContact O-CB 3.26Å; M338-T342 PolarHBondContact O-N 3.39Å; M338-T342 PolarHBondContact O-OG1 3.25Å
339Y98.4Very high97.3Very high1 Ų138.4 Ų38.40%0.00421%0.211CC..Hα-helixtrans-59.7-47.6169.1-79.3-69000111.8V287 T288 A296 W298 T313 Q314 L317 G335 L336 T342 A343V287-Y339 WeakPolarHBondContact O-CE2 3.18Å; V287-Y339 PolarHBondContact O-OH 2.77Å; T288-Y339 HydrophobicContact CG2-CE2 4.38Å; A296-Y339 HydrophobicContact CB-CD1 4.48Å; A296-Y339 HydrophobicContact CB-CE1 3.53Å; A296-Y339 WeakPolarHBondContact CB-OH 3.29Å; W298-Y339 HydrophobicContact CZ2-CE2 4.3Å; W298-Y339 AromaticContact NE1-CD1 3.93Å; W298-Y339 AromaticContact NE1-CD2 3.92Å; W298-Y339 AromaticContact NE1-CE1 3.89Å; W298-Y339 AromaticContact NE1-CE2 3.82Å; W298-Y339 AromaticContact NE1-CG 3.98Å; W298-Y339 AromaticContact NE1-CZ 3.84Å; T313-Y339 HydrophobicContact CG2-CE1 3.98Å; Q314-Y339 HydrophobicContact CB-CD1 4.28Å; Q314-Y339 HydrophobicContact CG-CD1 3.78Å; Q314-Y339 HydrophobicContact CG-CE1 4.38Å; L317-Y339 HydrophobicContact CB-CD1 4.43Å; L317-Y339 HydrophobicContact CB-CD2 4.21Å; L317-Y339 HydrophobicContact CB-CG 4Å; L317-Y339 HydrophobicContact CD1-CD1 3.98Å; L317-Y339 HydrophobicContact CD1-CD2 3.65Å; L317-Y339 HydrophobicContact CD1-CE1 3.74Å; L317-Y339 HydrophobicContact CD1-CE2 3.43Å; L317-Y339 VanDerWaalsContact CD1-CE2 3.43Å; L317-Y339 HydrophobicContact CD1-CG 3.91Å; L317-Y339 VanDerWaalsContact CD1-CZ 3.44Å; G335-Y339 VanDerWaalsContact O-CD2 3.24Å; G335-Y339 WeakPolarHBondContact O-CD2 3.21Å; G335-Y339 PolarHBondContact O-N 3.42Å; L336-Y339 PolarHBondContact O-N 3.49Å; Y339-T342 PolarHBondContact O-N 3.38Å; Y339-A343 WeakPolarHBondContact O-CB 3.28Å; Y339-A343 PolarHBondContact O-N 3.36Å
340R97.8Very high97.5Very high46 Ų4636.1 Ų36.117%0.17419%0.194CC..Hα-helixtrans-62-49.2175.8178-179.7170.4162.87.8112.5N321 L336 K337 T342 A343 E344N321-R340 HydrophobicContact CB-CB 4.36Å; N321-R340 WeakPolarHBondContact OD1-CD 3.23Å; N321-R340 PolarHBondContact OD1-NH1 2.89Å; L336-R340 PolarHBondContact O-N 2.9Å; K337-R340 PolarHBondContact O-N 3.49Å; R340-T342 PolarHBondContact O-N 3.28Å; R340-A343 WeakPolarHBondContact O-CB 2.98Å; R340-A343 PolarHBondContact O-N 2.66Å; R340-A343 VanDerWaalsContact O-N 3.12Å; R340-E344 HydrophobicContact CG-CG 4.48Å; R340-E344 IonicContact CZ-OE1 2.98Å; R340-E344 IonicContact NE-OE1 3.74Å; R340-E344 PolarHBondContact NE-OE1 3.44Å; R340-E344 IonicContact NH2-OE1 3.36Å; R340-E344 WeakPolarHBondContact O-CG 3.45Å; R340-E344 PolarHBondContact O-N 3.3Å
341D98Very high97.7Very high53 Ų5329.9 Ų29.928%0.28316%0.161SC..Hα-helixtrans-59.3-33.4-179.6-68.4-8.4000110.4K337 M338 A345K337-D341 IonicContact NZ-OD1 3.37Å; K337-D341 PolarHBondContact NZ-OD1 3.2Å; K337-D341 VanDerWaalsContact NZ-OD1 3.08Å; K337-D341 IonicContact NZ-OD2 3.51Å; K337-D341 PolarHBondContact NZ-OD2 2.97Å; K337-D341 WeakPolarHBondContact O-CB 3.45Å; K337-D341 PolarHBondContact O-N 2.77Å; M338-D341 HydrophobicContact CE-CB 3.83Å; M338-D341 WeakPolarHBondContact CE-OD2 3.48Å; M338-D341 PolarHBondContact O-N 3.02Å; D341-A345 PolarHBondContact O-N 3.17Å
342T98.5Very high97.8Very high0 Ų031.4 Ų31.40%017%0.167CC..Hα-helixtrans-75.9-40.2174.9-46.30000112.5W298 G299 Q314 M338 Y339 R340 E344 A345 V346W298-T342 WeakPolarHBondContact CA-OG1 3.4Å; G299-T342 PolarHBondContact N-OG1 3.06Å; Q314-T342 VanDerWaalsContact CD-CG2 3.44Å; Q314-T342 HydrophobicContact CG-CG2 4.22Å; M338-T342 WeakPolarHBondContact O-CB 3.26Å; M338-T342 PolarHBondContact O-N 3.39Å; M338-T342 PolarHBondContact O-OG1 3.25Å; Y339-T342 PolarHBondContact O-N 3.38Å; R340-T342 PolarHBondContact O-N 3.28Å; T342-E344 VanDerWaalsContact C-N 3.29Å; T342-E344 PolarHBondContact O-N 2.72Å; T342-A345 WeakPolarHBondContact O-CA 3.49Å; T342-A345 WeakPolarHBondContact O-CB 3.35Å; T342-A345 PolarHBondContact O-N 2.94Å; T342-V346 PolarHBondContact O-N 2.79Å
343A98.7Very high97.7Very high0 Ų036.9 Ų36.90%020%0.197CC..Hα-helixtrans-59-41.6172.200000111.3Q314 V315 Y339 R340 A345 V346 I347 Y388Q314-A343 HydrophobicContact CB-CB 4.17Å; V315-A343 HydrophobicContact CG2-CB 4.09Å; Y339-A343 WeakPolarHBondContact O-CB 3.28Å; Y339-A343 PolarHBondContact O-N 3.36Å; R340-A343 WeakPolarHBondContact O-CB 2.98Å; R340-A343 PolarHBondContact O-N 2.66Å; R340-A343 VanDerWaalsContact O-N 3.12Å; A343-A345 VanDerWaalsContact C-N 3.3Å; A343-A345 PolarHBondContact O-N 2.85Å; A343-V346 WeakPolarHBondContact O-CB 3.15Å; A343-V346 PolarHBondContact O-N 3.11Å; A343-I347 WeakPolarHBondContact O-CG1 3.29Å; A343-I347 PolarHBondContact O-N 2.73Å; A343-Y388 HydrophobicContact CB-CD2 4.23Å; A343-Y388 HydrophobicContact CB-CE2 3.78Å
344E98.4Very high97.8Very high35 Ų3534.4 Ų34.416%0.16418%0.184CC..Hα-helixtrans-60.9-39.8172.8-69.7-175.1-174.300111.4R340 T342 I347 C348 Y388 V400R340-E344 HydrophobicContact CG-CG 4.48Å; R340-E344 IonicContact CZ-OE1 2.98Å; R340-E344 IonicContact NE-OE1 3.74Å; R340-E344 PolarHBondContact NE-OE1 3.44Å; R340-E344 IonicContact NH2-OE1 3.36Å; R340-E344 WeakPolarHBondContact O-CG 3.45Å; R340-E344 PolarHBondContact O-N 3.3Å; T342-E344 VanDerWaalsContact C-N 3.29Å; T342-E344 PolarHBondContact O-N 2.72Å; E344-I347 PolarHBondContact O-N 3.45Å; E344-C348 VanDerWaalsContact O-CB 3.22Å; E344-C348 WeakPolarHBondContact O-CB 3.4Å; E344-C348 PolarHBondContact O-N 3.5Å; E344-C348 PolarHBondContact O-SG 3.48Å; E344-Y388 HydrophobicContact CG-CE1 4.32Å; E344-Y388 WeakPolarHBondContact CG-OH 3.29Å; E344-Y388 PolarHBondContact OE1-OH 2.9Å; E344-V400 HydrophobicContact CG-CG1 4.01Å
345A98.4Very high97.9Very high35 Ų3532 Ų3229%0.28918%0.178SC..Hα-helixtrans-64.6-38.717500000112.8P301 D341 T342 A343 C348 G349P301-A345 HydrophobicContact CG-CB 3.58Å; D341-A345 PolarHBondContact O-N 3.17Å; T342-A345 WeakPolarHBondContact O-CA 3.49Å; T342-A345 WeakPolarHBondContact O-CB 3.35Å; T342-A345 PolarHBondContact O-N 2.94Å; A343-A345 VanDerWaalsContact C-N 3.3Å; A343-A345 PolarHBondContact O-N 2.85Å; A345-C348 PolarHBondContact O-N 3.23Å; A345-G349 PolarHBondContact O-N 3.03Å
346V98.6Very high97.9Very high12 Ų1234.1 Ų34.17%0.07319%0.193CC..Hα-helixtrans-57.6-56.2170.4173.20000109.7P301 A311 T342 A343 C348 G349 L350P301-V346 HydrophobicContact CB-CG2 3.78Å; P301-V346 HydrophobicContact CG-CG2 4.38Å; A311-V346 HydrophobicContact CB-CG1 4.4Å; A311-V346 HydrophobicContact CB-CG2 4.08Å; T342-V346 PolarHBondContact O-N 2.79Å; A343-V346 WeakPolarHBondContact O-CB 3.15Å; A343-V346 PolarHBondContact O-N 3.11Å; V346-C348 VanDerWaalsContact C-N 3.31Å; V346-C348 PolarHBondContact O-N 2.98Å; V346-G349 WeakPolarHBondContact O-CA 3.46Å; V346-G349 PolarHBondContact O-N 3.47Å; V346-L350 HydrophobicContact CG1-CD1 4.22Å; V346-L350 WeakPolarHBondContact O-CG 3.19Å; V346-L350 PolarHBondContact O-N 2.95Å; V346-L350 VanDerWaalsContact O-N 3.11Å
347I98.8Very high97.9Very high1 Ų135.9 Ų35.91%0.00521%0.207CC..Hα-helixtrans-56.3-45.2179.4-64.2-55.3000111.5A343 E344 G349 L350 L351 A385 Y388 V400 I412A343-I347 WeakPolarHBondContact O-CG1 3.29Å; A343-I347 PolarHBondContact O-N 2.73Å; E344-I347 PolarHBondContact O-N 3.45Å; I347-G349 PolarHBondContact O-N 2.98Å; I347-L350 HydrophobicContact CD1-CD1 4.43Å; I347-L350 WeakPolarHBondContact O-CB 3.38Å; I347-L350 PolarHBondContact O-N 3.28Å; I347-L351 HydrophobicContact CG2-CD1 4.15Å; I347-L351 HydrophobicContact CG2-CG 4.49Å; I347-L351 WeakPolarHBondContact O-CG 3.49Å; I347-L351 PolarHBondContact O-N 3.28Å; I347-A385 HydrophobicContact CD1-CB 4.23Å; I347-Y388 HydrophobicContact CD1-CD1 4.37Å; I347-Y388 HydrophobicContact CD1-CG 4.15Å; I347-Y388 HydrophobicContact CG1-CD1 3.76Å; I347-Y388 HydrophobicContact CG1-CD2 4.42Å; I347-Y388 HydrophobicContact CG1-CE1 4.3Å; I347-Y388 HydrophobicContact CG1-CG 3.83Å; I347-V400 HydrophobicContact CG2-CG2 4.32Å; I347-I412 HydrophobicContact CD1-CG2 4.31Å; I347-I412 HydrophobicContact CG2-CD1 3.68Å; I347-I412 HydrophobicContact CG2-CG1 3.67Å; I347-I412 HydrophobicContact CG2-CG2 4.04Å
348C98.6Very high97.9Very high6 Ų632.4 Ų32.44%0.04120%0.195CC..Hα-helixtrans-63.3-26.8178-73.30000113.5E344 A345 V346 S354 S356 C402E344-C348 VanDerWaalsContact O-CB 3.22Å; E344-C348 WeakPolarHBondContact O-CB 3.4Å; E344-C348 PolarHBondContact O-N 3.5Å; E344-C348 PolarHBondContact O-SG 3.48Å; A345-C348 PolarHBondContact O-N 3.23Å; V346-C348 VanDerWaalsContact C-N 3.31Å; V346-C348 PolarHBondContact O-N 2.98Å; C348-S354 WeakPolarHBondContact O-CB 3.48Å; C348-S354 PolarHBondContact O-OG 3.07Å; C348-S356 WeakPolarHBondContact CB-OG 3.16Å; C348-S356 PolarHBondContact O-OG 3.37Å; C348-C402 WeakPolarHBondContact CA-SG 3.44Å; C348-C402 HydrophobicContact CB-CB 3.57Å; C348-C402 WeakPolarHBondContact CB-SG 3.41Å; C348-C402 WeakPolarHBondContact SG-CA 3.48Å; C348-C402 WeakPolarHBondContact SG-CB 3.45Å; C348-C402 CovalentContact SG-SG 2.03Å; C348-C402 PolarHBondContact SG-SG 3.48Å
349G98.4Very high97.8Very high13 Ų1333.9 Ų33.913%0.13422%0.217CC..Hα-helixtrans-74.6-31170.400000113.5A345 V346 I347 S356 T358 R361A345-G349 PolarHBondContact O-N 3.03Å; V346-G349 WeakPolarHBondContact O-CA 3.46Å; V346-G349 PolarHBondContact O-N 3.47Å; I347-G349 PolarHBondContact O-N 2.98Å; G349-S356 WeakPolarHBondContact CA-O 3.35Å; G349-T358 WeakPolarHBondContact O-CG2 3.37Å; G349-T358 PolarHBondContact O-N 2.88Å; G349-R361 PolarHBondContact O-NH2 2.8Å
350L98.6Very high97.8Very high4 Ų435.7 Ų35.72%0.02123%0.231CC..Hα-helixtrans-79.1-17.4-179.3-63.2-179.3000114.3W303 V346 I347 P352 R361 V367 A381 A385 F415W303-L350 HydrophobicContact CH2-CD2 4.14Å; W303-L350 HydrophobicContact CZ3-CD2 3.73Å; V346-L350 HydrophobicContact CG1-CD1 4.22Å; V346-L350 WeakPolarHBondContact O-CG 3.19Å; V346-L350 PolarHBondContact O-N 2.95Å; V346-L350 VanDerWaalsContact O-N 3.11Å; I347-L350 HydrophobicContact CD1-CD1 4.43Å; I347-L350 WeakPolarHBondContact O-CB 3.38Å; I347-L350 PolarHBondContact O-N 3.28Å; L350-P352 WeakPolarHBondContact O-CD 3.22Å; L350-R361 PolarHBondContact O-NH2 2.64Å; L350-V367 HydrophobicContact CD2-CG2 4.31Å; L350-A381 HydrophobicContact CD1-CB 3.89Å; L350-A381 WeakPolarHBondContact CD1-O 3.29Å; L350-A381 HydrophobicContact CD2-CB 3.65Å; L350-A381 HydrophobicContact CG-CB 4.42Å; L350-A385 HydrophobicContact CD1-CB 4.5Å; L350-F415 HydrophobicContact CB-CD1 4.13Å; L350-F415 HydrophobicContact CB-CE1 3.75Å; L350-F415 HydrophobicContact CB-CE2 4.37Å; L350-F415 HydrophobicContact CB-CZ 3.88Å; L350-F415 HydrophobicContact CD1-CE1 3.89Å; L350-F415 HydrophobicContact CD1-CZ 4.39Å; L350-F415 HydrophobicContact CD2-CE1 4.47Å; L350-F415 HydrophobicContact CD2-CZ 4.14Å; L350-F415 HydrophobicContact CG-CE1 4.24Å; L350-F415 HydrophobicContact CG-CZ 4.35Å; L350-F415 WeakPolarHBondContact O-CD2 3.2Å; L350-F415 VanDerWaalsContact O-CE2 3.25Å; L350-F415 WeakPolarHBondContact O-CE2 3.37Å
351L98.5Very high97.8Very high5 Ų535.4 Ų35.43%0.02623%0.229CC..  trans-85.9116-179.5-67.2171.1000111.1I347 D353 S354 A357 Y407 I412 F415I347-L351 HydrophobicContact CG2-CD1 4.15Å; I347-L351 HydrophobicContact CG2-CG 4.49Å; I347-L351 WeakPolarHBondContact O-CG 3.49Å; I347-L351 PolarHBondContact O-N 3.28Å; L351-D353 VanDerWaalsContact C-N 3.31Å; L351-D353 PolarHBondContact O-N 3.12Å; L351-S354 WeakPolarHBondContact O-CB 3.41Å; L351-S354 PolarHBondContact O-N 3.31Å; L351-S354 VanDerWaalsContact O-N 3.08Å; L351-A357 VanDerWaalsContact O-CB 3.24Å; L351-A357 WeakPolarHBondContact O-CB 3.41Å; L351-Y407 HydrophobicContact CD1-CD1 3.75Å; L351-Y407 HydrophobicContact CD1-CD2 3.9Å; L351-Y407 HydrophobicContact CD1-CE1 4.41Å; L351-Y407 HydrophobicContact CD1-CG 3.47Å; L351-Y407 VanDerWaalsContact CD1-CG 3.47Å; L351-I412 HydrophobicContact CD1-CG1 4.24Å; L351-I412 HydrophobicContact CD2-CG1 4.27Å; L351-F415 HydrophobicContact CD2-CB 4.09Å
352P96.1Very high97.8Very high74 Ų7433.4 Ų33.448%0.48122%0.219SC..THydrogen-bonded Turntrans-59-35.3-174.6-25.734.6000114.9L350 S354 A357L350-P352 WeakPolarHBondContact O-CD 3.22Å; P352-S354 VanDerWaalsContact C-N 3.28Å; P352-S354 PolarHBondContact O-N 2.96Å; P352-A357 WeakPolarHBondContact O-CB 3.32Å
353D95.8Very high97.7Very high127 Ų12737.2 Ų37.268%0.67926%0.258SS*.THydrogen-bonded Turntrans-84.6-3.3-178.4-64.5-44.6000113.9L351 K405 Y407L351-D353 VanDerWaalsContact C-N 3.31Å; L351-D353 PolarHBondContact O-N 3.12Å; D353-K405 PolarHBondContact O-NZ 3.23Å; D353-K405 VanDerWaalsContact O-NZ 3.14Å; D353-Y407 HydrophobicContact CB-CE1 4.35Å; D353-Y407 PolarHBondContact O-OH 2.69Å
354S97.6Very high97.7Very high7 Ų738.9 Ų38.95%0.04928%0.275CS..SBendtrans-67.9139.4179.3178.40000111.2C348 L351 P352 S356 A357 C402 Y407C348-S354 WeakPolarHBondContact O-CB 3.48Å; C348-S354 PolarHBondContact O-OG 3.07Å; L351-S354 WeakPolarHBondContact O-CB 3.41Å; L351-S354 PolarHBondContact O-N 3.31Å; L351-S354 VanDerWaalsContact O-N 3.08Å; P352-S354 VanDerWaalsContact C-N 3.28Å; P352-S354 PolarHBondContact O-N 2.96Å; S354-S356 PolarHBondContact O-N 3.39Å; S354-S356 VanDerWaalsContact O-N 3.14Å; S354-S356 PolarHBondContact OG-N 3.21Å; S354-S356 PolarHBondContact OG-OG 3.37Å; S354-A357 VanDerWaalsContact O-CB 3.22Å; S354-A357 WeakPolarHBondContact O-CB 3.38Å; S354-A357 PolarHBondContact O-N 2.94Å; S354-C402 VanDerWaalsContact OG-CB 3.28Å; S354-C402 WeakPolarHBondContact OG-CB 3.46Å; S354-Y407 WeakPolarHBondContact CA-OH 3.02Å; S354-Y407 PolarHBondContact N-OH 3.38Å
355P97.7Very high97.7Very high75 Ų7538.5 Ų38.549%0.48728%0.281SS..THydrogen-bonded Turntrans-64.3-15.8172.1-14.629.3000113.1C402 K405P355-C402 WeakPolarHBondContact CD-O 3.28Å; P355-K405 HydrophobicContact CG-CB 4.42Å; P355-K405 HydrophobicContact CG-CD 3.93Å; P355-K405 HydrophobicContact CG-CG 3.95Å
356S96.5Very high97.7Very high48 Ų4836.9 Ų36.934%0.33627%0.267SS..THydrogen-bonded Turntrans-104.815.5174.562.90000112.9C348 G349 S354 T358C348-S356 WeakPolarHBondContact CB-OG 3.16Å; C348-S356 PolarHBondContact O-OG 3.37Å; G349-S356 WeakPolarHBondContact CA-O 3.35Å; S354-S356 PolarHBondContact O-N 3.39Å; S354-S356 VanDerWaalsContact O-N 3.14Å; S354-S356 PolarHBondContact OG-N 3.21Å; S354-S356 PolarHBondContact OG-OG 3.37Å; S356-T358 PolarHBondContact O-N 3.26Å
357A97.8Very high97.7Very high36 Ų3636.3 Ų36.330%0.29826%0.264SS..  trans-55.4135.1179.400000111.1L351 P352 S354L351-A357 VanDerWaalsContact O-CB 3.24Å; L351-A357 WeakPolarHBondContact O-CB 3.41Å; P352-A357 WeakPolarHBondContact O-CB 3.32Å; S354-A357 VanDerWaalsContact O-CB 3.22Å; S354-A357 WeakPolarHBondContact O-CB 3.38Å; S354-A357 PolarHBondContact O-N 2.94Å
358T96.6Very high97.7Very high35 Ų3538.1 Ų38.122%0.21527%0.271CS..  trans-68.1142.9172.5-174.90000111.1W303 G349 S356 S360W303-T358 HydrophobicContact CH2-CG2 3.74Å; W303-T358 HydrophobicContact CZ2-CG2 4.14Å; G349-T358 WeakPolarHBondContact O-CG2 3.37Å; G349-T358 PolarHBondContact O-N 2.88Å; S356-T358 PolarHBondContact O-N 3.26Å; T358-S360 PolarHBondContact O-N 2.89Å; T358-S360 WeakPolarHBondContact OG1-CB 3.38Å; T358-S360 PolarHBondContact OG1-N 3.41Å; T358-S360 VanDerWaalsContact OG1-N 3.16Å; T358-S360 PolarHBondContact OG1-OG 2.89Å
359A96.5Very high97.6Very high98 Ų9840.1 Ų40.181%0.8128%0.281SS*.SBendtrans-77.8-4170.200000112.9R361A359-R361 PolarHBondContact O-N 2.84Å
360S97.4Very high97.5Very high40 Ų4041.6 Ų41.628%0.2829%0.289SS..  trans-79.470.1-173.8-43.70000111.1T358 W368T358-S360 PolarHBondContact O-N 2.89Å; T358-S360 WeakPolarHBondContact OG1-CB 3.38Å; T358-S360 PolarHBondContact OG1-N 3.41Å; T358-S360 VanDerWaalsContact OG1-N 3.16Å; T358-S360 PolarHBondContact OG1-OG 2.89Å; S360-W368 CarbonylContact C-O 3.58Å; S360-W368 WeakPolarHBondContact CB-O 3.5Å; S360-W368 PolarHBondContact O-N 3.33Å
361R97.9Very high97.3Very high39 Ų3942.4 Ų42.415%0.14730%0.299CS..BIsolated β-bridgetrans-142.9154.8-176.2-61.6179.2-172.4-87.1-7.2112.2G349 L350 A359 L366G349-R361 PolarHBondContact O-NH2 2.8Å; L350-R361 PolarHBondContact O-NH2 2.64Å; A359-R361 PolarHBondContact O-N 2.84Å; R361-L366 CarbonylContact C-O 3.55Å; R361-L366 WeakPolarHBondContact CA-O 3.33Å
362T98.3Very high97.1Very high12 Ų1248.2 Ų48.27%0.07432%0.32CS..  trans-81172.3166.670.40000111.7G364 G365 L366 W368 Q486 D488T362-G364 PolarHBondContact O-N 2.72Å; T362-G364 PolarHBondContact OG1-N 3.14Å; T362-G365 PolarHBondContact O-N 2.95Å; T362-G365 VanDerWaalsContact O-N 3.13Å; T362-G365 PolarHBondContact OG1-N 3.34Å; T362-L366 HydrophobicContact CG2-CB 4.07Å; T362-L366 HydrophobicContact CG2-CD2 4.4Å; T362-L366 PolarHBondContact N-O 3.27Å; T362-L366 WeakPolarHBondContact OG1-CB 3.22Å; T362-L366 PolarHBondContact OG1-N 2.79Å; T362-W368 HydrophobicContact CG2-CB 3.64Å; T362-W368 HydrophobicContact CG2-CG 3.8Å; T362-Q486 WeakPolarHBondContact CA-O 3.4Å; T362-Q486 VanDerWaalsContact CB-O 3.28Å; T362-Q486 WeakPolarHBondContact CB-O 3.41Å; T362-Q486 WeakPolarHBondContact CG2-O 3.48Å; T362-D488 VanDerWaalsContact CB-CG 3.48Å; T362-D488 WeakPolarHBondContact CB-OD1 3.39Å; T362-D488 WeakPolarHBondContact CB-OD2 3.22Å; T362-D488 PolarHBondContact OG1-OD1 3.26Å
363G97.6Very high97.1Very high79 Ų7945 Ų4581%0.81430%0.299SS*.THydrogen-bonded Turntrans-64.4-30.6173.300000112.7G365 D488G363-G365 VanDerWaalsContact C-N 3.27Å; G363-G365 PolarHBondContact O-N 3.31Å; G363-D488 WeakPolarHBondContact CA-OD2 3.48Å; G363-D488 PolarHBondContact N-OD2 3.44Å
364G97.9Very high97.2Very high35 Ų3538.9 Ų38.936%0.36127%0.266SS..THydrogen-bonded Turntrans-77-2.117300000115.2T362 D488T362-G364 PolarHBondContact O-N 2.72Å; T362-G364 PolarHBondContact OG1-N 3.14Å; G364-D488 WeakPolarHBondContact CA-OD1 3.01Å; G364-D488 PolarHBondContact N-OD1 2.75Å; G364-D488 PolarHBondContact N-OD2 3.37Å
365G97.9Very high97.3Very high28 Ų2838.6 Ų38.629%0.28926%0.264SS..  trans88.26.617500000115.7T362 G363 Q419T362-G365 PolarHBondContact O-N 2.95Å; T362-G365 VanDerWaalsContact O-N 3.13Å; T362-G365 PolarHBondContact OG1-N 3.34Å; G363-G365 VanDerWaalsContact C-N 3.27Å; G363-G365 PolarHBondContact O-N 3.31Å; G365-Q419 PolarHBondContact O-NE2 3.1Å
366L98.6Very high97.3Very high0 Ų035.4 Ų35.40%024%0.243CC..  trans-68.9134.5172.7-178.372.5000110R361 T362 W368 L375 A378 Y422 P484R361-L366 CarbonylContact C-O 3.55Å; R361-L366 WeakPolarHBondContact CA-O 3.33Å; T362-L366 HydrophobicContact CG2-CB 4.07Å; T362-L366 HydrophobicContact CG2-CD2 4.4Å; T362-L366 PolarHBondContact N-O 3.27Å; T362-L366 WeakPolarHBondContact OG1-CB 3.22Å; T362-L366 PolarHBondContact OG1-N 2.79Å; L366-W368 PolarHBondContact O-N 2.95Å; L366-L375 HydrophobicContact CD1-CD2 3.86Å; L366-L375 HydrophobicContact CD2-CD2 3.92Å; L366-A378 HydrophobicContact CD1-CB 3.34Å; L366-A378 HydrophobicContact CG-CB 4.06Å; L366-Y422 HydrophobicContact CB-CD1 4.19Å; L366-Y422 HydrophobicContact CB-CD2 4.08Å; L366-Y422 HydrophobicContact CB-CE1 3.97Å; L366-Y422 HydrophobicContact CB-CE2 3.85Å; L366-Y422 HydrophobicContact CB-CG 4.26Å; L366-Y422 HydrophobicContact CD1-CD1 3.64Å; L366-Y422 HydrophobicContact CD1-CE1 3.95Å; L366-Y422 HydrophobicContact CD1-CG 4.07Å; L366-Y422 HydrophobicContact CD2-CD1 4.27Å; L366-Y422 HydrophobicContact CD2-CE1 3.7Å; L366-Y422 HydrophobicContact CG-CD1 4.24Å; L366-Y422 HydrophobicContact CG-CE1 4.08Å; L366-P484 HydrophobicContact CD2-CG 3.59Å
367V98.5Very high97.4Very high0 Ų034.2 Ų34.20%023%0.232CC..BIsolated β-bridgetrans-61.8121.3165.9167.40000109.1W303 L350 I369 A378 A381 F415W303-V367 HydrophobicContact CE3-CG1 4.11Å; W303-V367 HydrophobicContact CH2-CG1 3.83Å; W303-V367 HydrophobicContact CZ3-CG1 3.36Å; L350-V367 HydrophobicContact CD2-CG2 4.31Å; V367-I369 HydrophobicContact CG1-CD1 4.07Å; V367-I369 HydrophobicContact CG1-CG1 4.18Å; V367-A378 HydrophobicContact CB-CB 4.26Å; V367-A381 HydrophobicContact CG1-CB 4.48Å; V367-F415 HydrophobicContact CG2-CE2 3.93Å; V367-F415 HydrophobicContact CG2-CZ 3.8Å
368W98.4Very high97.4Very high39 Ų3932.5 Ų32.515%0.14822%0.217CC..  trans-136.6113.9-172.2-167.197000111S360 T362 L366 G371 P484 Q486S360-W368 CarbonylContact C-O 3.58Å; S360-W368 WeakPolarHBondContact CB-O 3.5Å; S360-W368 PolarHBondContact O-N 3.33Å; T362-W368 HydrophobicContact CG2-CB 3.64Å; T362-W368 HydrophobicContact CG2-CG 3.8Å; L366-W368 PolarHBondContact O-N 2.95Å; W368-G371 VanDerWaalsContact CZ2-CA 3.47Å; W368-P484 PolarHBondContact NE1-O 3.35Å; W368-Q486 HydrophobicContact CD2-CB 3.85Å; W368-Q486 HydrophobicContact CD2-CG 3.97Å; W368-Q486 HydrophobicContact CE3-CB 3.93Å; W368-Q486 HydrophobicContact CE3-CG 3.75Å; W368-Q486 HydrophobicContact CH2-CB 3.9Å; W368-Q486 HydrophobicContact CH2-CG 4.47Å; W368-Q486 HydrophobicContact CZ2-CB 3.78Å; W368-Q486 HydrophobicContact CZ3-CB 3.98Å; W368-Q486 HydrophobicContact CZ3-CG 4.03Å
369I97.8Very high97.5Very high48 Ų4830.8 Ų30.825%0.24621%0.207CC..  trans-118.3-43.7-170.6-49.7-51000111.8W303 V367 H377W303-I369 HydrophobicContact CD2-CD1 3.51Å; W303-I369 HydrophobicContact CD2-CG1 3.57Å; W303-I369 HydrophobicContact CD2-CG2 4.48Å; W303-I369 HydrophobicContact CE3-CD1 3.82Å; W303-I369 HydrophobicContact CE3-CG1 3.82Å; W303-I369 HydrophobicContact CG-CD1 4.22Å; W303-I369 HydrophobicContact CG-CG1 3.95Å; W303-I369 HydrophobicContact CG-CG2 4.06Å; W303-I369 HydrophobicContact CH2-CD1 3.5Å; W303-I369 HydrophobicContact CH2-CG1 4.38Å; W303-I369 HydrophobicContact CZ2-CD1 3.16Å; W303-I369 HydrophobicContact CZ2-CG1 4.18Å; W303-I369 HydrophobicContact CZ3-CD1 3.83Å; W303-I369 HydrophobicContact CZ3-CG1 4.22Å; V367-I369 HydrophobicContact CG1-CD1 4.07Å; V367-I369 HydrophobicContact CG1-CG1 4.18Å; I369-H377 HydrophobicContact CB-CB 4.15Å; I369-H377 WeakPolarHBondContact CB-CD2 3.41Å; I369-H377 HydrophobicContact CG1-CB 3.63Å; I369-H377 VanDerWaalsContact CG1-CD2 3.45Å; I369-H377 WeakPolarHBondContact CG1-CD2 3.46Å
370S95.6Very high97.6Very high45 Ų4526.1 Ų26.132%0.31517%0.169SC..  trans-130148.2179.9179.80000109.6W372 S374S370-W372 PolarHBondContact OG-N 2.64Å; S370-W372 PolarHBondContact OG-O 3.45Å; S370-S374 WeakPolarHBondContact O-CA 3.39Å; S370-S374 VanDerWaalsContact O-CB 3.27Å; S370-S374 WeakPolarHBondContact O-CB 3.49Å
371G94.3Very high97.7Very high21 Ų2124.6 Ų24.622%0.21616%0.158CC..SBendtrans-72.1-33.4171.600000112.7W368 V498W368-G371 VanDerWaalsContact CZ2-CA 3.47Å; G371-V498 WeakPolarHBondContact O-CG1 3.49Å
372W94.9Very high97.7Very high127 Ų12722.7 Ų22.748%0.48115%0.151SC..THydrogen-bonded Turntrans-80.2124174.6-167.9-79000109.9S370 S374 A497 V498 E501S370-W372 PolarHBondContact OG-N 2.64Å; S370-W372 PolarHBondContact OG-O 3.45Å; W372-S374 VanDerWaalsContact C-N 3.26Å; W372-S374 PolarHBondContact O-N 2.86Å; W372-A497 HydrophobicContact CH2-CB 4.09Å; W372-V498 HydrophobicContact CE3-CB 4.12Å; W372-V498 HydrophobicContact CE3-CG1 4.34Å; W372-V498 HydrophobicContact CE3-CG2 3.65Å; W372-V498 HydrophobicContact CZ3-CB 4.37Å; W372-V498 HydrophobicContact CZ3-CG2 3.66Å; W372-E501 WeakPolarHBondContact CZ2-OE2 3.46Å
373N96.2Very high97.8Very high5 Ų522.1 Ų22.13%0.02715%0.148CC..THydrogen-bonded Turntrans48.947.3-179.3-159.6-9.9000113.3L375 Q376 G482 V498 S503 Y505 N506N373-L375 PolarHBondContact O-N 2.89Å; N373-L375 VanDerWaalsContact O-N 3.09Å; N373-Q376 WeakPolarHBondContact O-CB 3.4Å; N373-Q376 PolarHBondContact O-N 3.17Å; N373-G482 CarbonylContact C-O 3.59Å; N373-G482 WeakPolarHBondContact CA-O 3.08Å; N373-V498 PolarHBondContact N-O 3.26Å; N373-S503 PolarHBondContact ND2-OG 3.03Å; N373-Y505 WeakPolarHBondContact ND2-CE2 3.07Å; N373-Y505 VanDerWaalsContact ND2-CZ 3.26Å; N373-Y505 PolarHBondContact ND2-OH 3.05Å; N373-N506 PolarHBondContact OD1-ND2 2.89Å
374S97.8Very high97.8Very high0 Ų018.5 Ų18.50%011%0.109CC..Hα-helixtrans-47.2-36.3179650000114.2S370 W372 Q376 H377 G482 G483 P484S370-S374 WeakPolarHBondContact O-CA 3.39Å; S370-S374 VanDerWaalsContact O-CB 3.27Å; S370-S374 WeakPolarHBondContact O-CB 3.49Å; W372-S374 VanDerWaalsContact C-N 3.26Å; W372-S374 PolarHBondContact O-N 2.86Å; S374-Q376 VanDerWaalsContact C-N 3.27Å; S374-Q376 PolarHBondContact O-N 2.56Å; S374-H377 PolarHBondContact O-N 3.45Å; S374-G482 PolarHBondContact N-O 3.18Å; S374-G482 PolarHBondContact OG-O 3.28Å; S374-G483 WeakPolarHBondContact OG-CA 3.22Å; S374-P484 PolarHBondContact OG-O 3.37Å
375L98.6Very high97.9Very high0 Ų016.8 Ų16.80%09%0.092CC..Hα-helixtrans-71.2-17.8-179.2-71.2178.6000113.9L366 N373 H377 A378 T379 I423 Y433 L480 G482L366-L375 HydrophobicContact CD1-CD2 3.86Å; L366-L375 HydrophobicContact CD2-CD2 3.92Å; N373-L375 PolarHBondContact O-N 2.89Å; N373-L375 VanDerWaalsContact O-N 3.09Å; L375-H377 VanDerWaalsContact C-N 3.29Å; L375-H377 PolarHBondContact O-N 3.1Å; L375-A378 HydrophobicContact CD2-CB 4.46Å; L375-T379 WeakPolarHBondContact O-CB 3.28Å; L375-T379 PolarHBondContact O-N 3.21Å; L375-T379 PolarHBondContact O-OG1 2.89Å; L375-I423 HydrophobicContact CD2-CG1 3.84Å; L375-Y433 HydrophobicContact CD1-CD1 4.43Å; L375-Y433 HydrophobicContact CD1-CD2 3.96Å; L375-Y433 HydrophobicContact CD1-CG 3.68Å; L375-L480 HydrophobicContact CB-CD2 4.35Å; L375-L480 HydrophobicContact CB-CG 4.49Å; L375-L480 HydrophobicContact CD1-CD1 3.76Å; L375-L480 HydrophobicContact CD1-CG 4.37Å; L375-G482 PolarHBondContact N-O 3.36Å
376Q98.4Very high97.9Very high9 Ų915.5 Ų15.54%0.0428%0.078CC..Hα-helixtrans-52.3-52170.2175.4-174.1-89.200110.5N373 S374 T379 N380 Y505 N506N373-Q376 WeakPolarHBondContact O-CB 3.4Å; N373-Q376 PolarHBondContact O-N 3.17Å; S374-Q376 VanDerWaalsContact C-N 3.27Å; S374-Q376 PolarHBondContact O-N 2.56Å; Q376-T379 PolarHBondContact O-N 3.16Å; Q376-N380 WeakPolarHBondContact O-CB 3.37Å; Q376-N380 PolarHBondContact O-N 2.96Å; Q376-N380 PolarHBondContact O-ND2 3.5Å; Q376-N380 PolarHBondContact O-OD1 3.25Å; Q376-Y505 HydrophobicContact CG-CD2 4.31Å; Q376-Y505 HydrophobicContact CG-CE2 4.38Å; Q376-N506 HydrophobicContact CB-CB 4.2Å
377H98.3Very high97.9Very high22 Ų2215.5 Ų15.510%0.1028%0.078CC..Hα-helixtrans-74.3-36.9-170.8-64.759.6000111.2I369 S374 L375 A381I369-H377 HydrophobicContact CB-CB 4.15Å; I369-H377 WeakPolarHBondContact CB-CD2 3.41Å; I369-H377 HydrophobicContact CG1-CB 3.63Å; I369-H377 VanDerWaalsContact CG1-CD2 3.45Å; I369-H377 WeakPolarHBondContact CG1-CD2 3.46Å; S374-H377 PolarHBondContact O-N 3.45Å; L375-H377 VanDerWaalsContact C-N 3.29Å; L375-H377 PolarHBondContact O-N 3.1Å; H377-A381 WeakPolarHBondContact O-CB 3.21Å; H377-A381 PolarHBondContact O-N 3.39Å
378A98.5Very high97.9Very high0 Ų015.5 Ų15.50%08%0.078CC..Hα-helixtrans-63.1-46.7173.900000112.4L366 V367 L375 A382L366-A378 HydrophobicContact CD1-CB 3.34Å; L366-A378 HydrophobicContact CG-CB 4.06Å; V367-A378 HydrophobicContact CB-CB 4.26Å; L375-A378 HydrophobicContact CD2-CB 4.46Å; A378-A382 VanDerWaalsContact O-CB 3.23Å; A378-A382 WeakPolarHBondContact O-CB 3.35Å; A378-A382 PolarHBondContact O-N 3.32Å
379T98.6Very high97.8Very high0 Ų013.6 Ų13.60%07%0.071CC..Hα-helixtrans-66.1-45179.8-53.70000110.9L375 Q376 A382 F383 I423 T509 L510 L513L375-T379 WeakPolarHBondContact O-CB 3.28Å; L375-T379 PolarHBondContact O-N 3.21Å; L375-T379 PolarHBondContact O-OG1 2.89Å; Q376-T379 PolarHBondContact O-N 3.16Å; T379-A382 PolarHBondContact O-N 3.5Å; T379-F383 WeakPolarHBondContact O-CB 3.36Å; T379-F383 PolarHBondContact O-N 3.39Å; T379-I423 WeakPolarHBondContact OG1-CD1 3.48Å; T379-T509 HydrophobicContact CG2-CG2 4.23Å; T379-L510 HydrophobicContact CG2-CB 3.75Å; T379-L510 HydrophobicContact CG2-CD1 4.23Å; T379-L513 HydrophobicContact CG2-CD2 4.29Å
380N98.7Very high97.8Very high0 Ų011.4 Ų11.40%06%0.06CC..Hα-helixtrans-63.1-46.5178.4-69.7-0.3000111.9F304 S305 Q376 A382 F383 L384 T509F304-N380 HydrophobicContact CB-CB 4.3Å; F304-N380 HydrophobicContact CD1-CB 3.96Å; F304-N380 WeakPolarHBondContact O-CB 3.33Å; F304-N380 PolarHBondContact O-ND2 2.97Å; S305-N380 WeakPolarHBondContact CA-ND2 3.42Å; Q376-N380 WeakPolarHBondContact O-CB 3.37Å; Q376-N380 PolarHBondContact O-N 2.96Å; Q376-N380 PolarHBondContact O-ND2 3.5Å; Q376-N380 PolarHBondContact O-OD1 3.25Å; N380-A382 VanDerWaalsContact C-N 3.34Å; N380-A382 PolarHBondContact O-N 2.82Å; N380-F383 PolarHBondContact O-N 2.95Å; N380-L384 WeakPolarHBondContact O-CG 3.4Å; N380-L384 PolarHBondContact O-N 3.25Å; N380-T509 HydrophobicContact CB-CG2 4.37Å; N380-T509 WeakPolarHBondContact OD1-CB 3.19Å; N380-T509 WeakPolarHBondContact OD1-CG2 3.24Å; N380-T509 PolarHBondContact OD1-OG1 2.95Å
381A98.7Very high97.9Very high7 Ų79.2 Ų9.26%0.0585%0.045CC..Hα-helixtrans-61.5-42.6176.200000112.2L350 V367 H377 A385 F415L350-A381 HydrophobicContact CD1-CB 3.89Å; L350-A381 WeakPolarHBondContact CD1-O 3.29Å; L350-A381 HydrophobicContact CD2-CB 3.65Å; L350-A381 HydrophobicContact CG-CB 4.42Å; V367-A381 HydrophobicContact CG1-CB 4.48Å; H377-A381 WeakPolarHBondContact O-CB 3.21Å; H377-A381 PolarHBondContact O-N 3.39Å; A381-A385 WeakPolarHBondContact O-CB 3.22Å; A381-A385 PolarHBondContact O-N 3.48Å; A381-F415 HydrophobicContact CB-CZ 4.44Å
382A98.8Very high98.1Very high0 Ų08.3 Ų8.30%04%0.035CC..Hα-helixtrans-65.3-44.6177.700000111.8A378 T379 N380 L384 A385 V386 A416 Q419 L513A378-A382 VanDerWaalsContact O-CB 3.23Å; A378-A382 WeakPolarHBondContact O-CB 3.35Å; A378-A382 PolarHBondContact O-N 3.32Å; T379-A382 PolarHBondContact O-N 3.5Å; N380-A382 VanDerWaalsContact C-N 3.34Å; N380-A382 PolarHBondContact O-N 2.82Å; A382-L384 PolarHBondContact O-N 3.47Å; A382-A385 WeakPolarHBondContact O-CB 3.41Å; A382-A385 PolarHBondContact O-N 2.81Å; A382-V386 WeakPolarHBondContact O-CG2 3.48Å; A382-V386 PolarHBondContact O-N 2.94Å; A382-A416 HydrophobicContact CB-CB 4.22Å; A382-A416 WeakPolarHBondContact O-CB 3.37Å; A382-Q419 HydrophobicContact CB-CB 3.69Å; A382-Q419 HydrophobicContact CB-CG 4.03Å; A382-L513 HydrophobicContact CB-CD1 3.76Å; A382-L513 HydrophobicContact CB-CD2 3.68Å; A382-L513 HydrophobicContact CB-CG 4.34Å
383F98.8Very high98.1Very high0 Ų03 Ų30%02%0.016CC..Hα-helixtrans-57.5-49.7175.5170.8-113.2000111.8W126 Y131 T379 N380 A385 V386 V387 T509 G512 L513W126-F383 HydrophobicContact CB-CZ 4.48Å; W126-F383 AromaticContact CD2-CE1 3.95Å; W126-F383 HydrophobicContact CD2-CE1 3.95Å; W126-F383 HydrophobicContact CD2-CZ 4.01Å; W126-F383 AromaticContact CE3-CE1 3.64Å; W126-F383 HydrophobicContact CE3-CE1 3.64Å; W126-F383 HydrophobicContact CE3-CZ 4.16Å; W126-F383 HydrophobicContact CG-CZ 4.14Å; W126-F383 AromaticContact CZ3-CE1 4Å; W126-F383 HydrophobicContact CZ3-CE1 4Å; Y131-F383 HydrophobicContact CE2-CE2 4.04Å; T379-F383 WeakPolarHBondContact O-CB 3.36Å; T379-F383 PolarHBondContact O-N 3.39Å; N380-F383 PolarHBondContact O-N 2.95Å; F383-A385 VanDerWaalsContact C-N 3.27Å; F383-A385 PolarHBondContact O-N 3.06Å; F383-V386 PolarHBondContact O-N 3.1Å; F383-V386 VanDerWaalsContact O-N 3.15Å; F383-V387 HydrophobicContact CD2-CG2 4.1Å; F383-V387 HydrophobicContact CE1-CG2 4.29Å; F383-V387 HydrophobicContact CE2-CG2 3.68Å; F383-V387 HydrophobicContact CZ-CG2 3.78Å; F383-V387 WeakPolarHBondContact O-CG2 3.45Å; F383-V387 PolarHBondContact O-N 2.69Å; F383-T509 HydrophobicContact CB-CG2 3.38Å; F383-T509 HydrophobicContact CD1-CG2 3.65Å; F383-T509 HydrophobicContact CG-CG2 3.62Å; F383-G512 VanDerWaalsContact CD2-C 3.47Å; F383-L513 HydrophobicContact CB-CB 4.32Å
384L98.9Very high98Very high2 Ų23.4 Ų3.41%0.012%0.019CC..Hα-helixtrans-59.9-37.8176.5-69-173.2000112.4W126 F304 A311 V315 N380 A382 Y388W126-L384 HydrophobicContact CH2-CD2 3.58Å; W126-L384 HydrophobicContact CZ3-CD2 3.76Å; F304-L384 HydrophobicContact CB-CD1 3.64Å; F304-L384 HydrophobicContact CD1-CD1 3.95Å; F304-L384 HydrophobicContact CD1-CD2 4.13Å; F304-L384 HydrophobicContact CD1-CG 4.05Å; F304-L384 HydrophobicContact CE1-CD2 4.37Å; F304-L384 HydrophobicContact CG-CD1 3.97Å; A311-L384 HydrophobicContact CB-CD1 4.02Å; V315-L384 HydrophobicContact CB-CD2 4.06Å; V315-L384 HydrophobicContact CG1-CD2 4.17Å; V315-L384 HydrophobicContact CG2-CB 4.24Å; V315-L384 HydrophobicContact CG2-CD1 4.33Å; V315-L384 HydrophobicContact CG2-CD2 4.2Å; V315-L384 HydrophobicContact CG2-CG 4.49Å; N380-L384 WeakPolarHBondContact O-CG 3.4Å; N380-L384 PolarHBondContact O-N 3.25Å; A382-L384 PolarHBondContact O-N 3.47Å; L384-Y388 VanDerWaalsContact O-CB 3.26Å; L384-Y388 WeakPolarHBondContact O-CB 3.33Å; L384-Y388 PolarHBondContact O-N 2.88Å
385A98.8Very high97.9Very high0 Ų05 Ų50%03%0.029CC..Hα-helixtrans-64.5-42.6175.200000112.4I347 L350 A381 A382 F383 S389 I412 F415 A416I347-A385 HydrophobicContact CD1-CB 4.23Å; L350-A385 HydrophobicContact CD1-CB 4.5Å; A381-A385 WeakPolarHBondContact O-CB 3.22Å; A381-A385 PolarHBondContact O-N 3.48Å; A382-A385 WeakPolarHBondContact O-CB 3.41Å; A382-A385 PolarHBondContact O-N 2.81Å; F383-A385 VanDerWaalsContact C-N 3.27Å; F383-A385 PolarHBondContact O-N 3.06Å; A385-S389 VanDerWaalsContact O-CB 3.3Å; A385-S389 WeakPolarHBondContact O-CB 3.38Å; A385-S389 PolarHBondContact O-N 2.78Å; A385-S389 PolarHBondContact O-OG 2.69Å; A385-I412 HydrophobicContact CB-CG2 3.76Å; A385-I412 WeakPolarHBondContact O-CG2 3.5Å; A385-F415 HydrophobicContact CB-CD1 3.66Å; A385-F415 HydrophobicContact CB-CE1 3.9Å; A385-A416 HydrophobicContact CB-CB 4.27Å
386V98.3Very high97.7Very high0 Ų010.8 Ų10.80%06%0.056CC..Hα-helixtrans-61-53.5174.9-174.10000110.3Y131 A382 F383 Y388 S389 D390 A416 L513 L517Y131-V386 VanDerWaalsContact OH-CG1 3.31Å; Y131-V386 WeakPolarHBondContact OH-CG1 3.24Å; A382-V386 WeakPolarHBondContact O-CG2 3.48Å; A382-V386 PolarHBondContact O-N 2.94Å; F383-V386 PolarHBondContact O-N 3.1Å; F383-V386 VanDerWaalsContact O-N 3.15Å; V386-Y388 VanDerWaalsContact C-N 3.33Å; V386-Y388 PolarHBondContact O-N 3.19Å; V386-S389 PolarHBondContact O-N 3.48Å; V386-S389 VanDerWaalsContact O-N 3.09Å; V386-S389 PolarHBondContact O-OG 3.02Å; V386-D390 PolarHBondContact O-N 3.37Å; V386-A416 HydrophobicContact CG2-CB 3.28Å; V386-L513 HydrophobicContact CG2-CD1 3.65Å; V386-L517 HydrophobicContact CG2-CD2 3.99Å; V386-L517 HydrophobicContact CG2-CG 4.31Å
387V98.3Very high97.6Very high0 Ų011.7 Ų11.70%06%0.063CC..Hα-helixtrans-55.6-48.6-179.1172.60000111.1W126 Y131 V315 F383 S389 D390 Y391W126-V387 HydrophobicContact CZ2-CG1 3.98Å; Y131-V387 HydrophobicContact CE2-CG2 4.05Å; Y131-V387 WeakPolarHBondContact OH-CA 3.48Å; Y131-V387 WeakPolarHBondContact OH-CG2 3.42Å; Y131-V387 PolarHBondContact OH-N 3.41Å; V315-V387 HydrophobicContact CG1-CB 4.44Å; V315-V387 HydrophobicContact CG1-CG1 3.97Å; F383-V387 HydrophobicContact CD2-CG2 4.1Å; F383-V387 HydrophobicContact CE1-CG2 4.29Å; F383-V387 HydrophobicContact CE2-CG2 3.68Å; F383-V387 HydrophobicContact CZ-CG2 3.78Å; F383-V387 WeakPolarHBondContact O-CG2 3.45Å; F383-V387 PolarHBondContact O-N 2.69Å; V387-S389 VanDerWaalsContact C-N 3.35Å; V387-S389 PolarHBondContact O-N 3.35Å; V387-D390 PolarHBondContact O-N 2.96Å; V387-Y391 HydrophobicContact CG1-CD1 4.31Å; V387-Y391 HydrophobicContact CG1-CD2 4.39Å; V387-Y391 HydrophobicContact CG1-CE1 3.63Å; V387-Y391 HydrophobicContact CG1-CE2 3.7Å; V387-Y391 WeakPolarHBondContact CG1-OH 3.39Å; V387-Y391 VanDerWaalsContact O-CD1 3.31Å; V387-Y391 WeakPolarHBondContact O-CD1 3.4Å; V387-Y391 PolarHBondContact O-N 3.44Å
388Y98.5Very high97.5Very high0 Ų011.7 Ų11.70%07%0.066CC..Hα-helixtrans-64.3-39.4179.4-162.9-89.4000112.3V315 F322 A343 E344 I347 L384 V386 D390 Y391 M392 V400 I412V315-Y388 HydrophobicContact CG1-CD2 4.37Å; V315-Y388 HydrophobicContact CG2-CD2 4.35Å; F322-Y388 HydrophobicContact CE2-CD2 4.29Å; F322-Y388 HydrophobicContact CE2-CE1 4.38Å; F322-Y388 AromaticContact CE2-CE2 3.62Å; F322-Y388 HydrophobicContact CE2-CE2 3.62Å; F322-Y388 AromaticContact CE2-CZ 3.66Å; F322-Y388 HydrophobicContact CZ-CE1 4.04Å; F322-Y388 HydrophobicContact CZ-CE2 4.06Å; F322-Y388 AromaticContact CZ-CZ 3.58Å; F322-Y388 VanDerWaalsContact CZ-OH 3.32Å; F322-Y388 WeakPolarHBondContact CZ-OH 3.24Å; A343-Y388 HydrophobicContact CB-CD2 4.23Å; A343-Y388 HydrophobicContact CB-CE2 3.78Å; E344-Y388 HydrophobicContact CG-CE1 4.32Å; E344-Y388 WeakPolarHBondContact CG-OH 3.29Å; E344-Y388 PolarHBondContact OE1-OH 2.9Å; I347-Y388 HydrophobicContact CD1-CD1 4.37Å; I347-Y388 HydrophobicContact CD1-CG 4.15Å; I347-Y388 HydrophobicContact CG1-CD1 3.76Å; I347-Y388 HydrophobicContact CG1-CD2 4.42Å; I347-Y388 HydrophobicContact CG1-CE1 4.3Å; I347-Y388 HydrophobicContact CG1-CG 3.83Å; L384-Y388 VanDerWaalsContact O-CB 3.26Å; L384-Y388 WeakPolarHBondContact O-CB 3.33Å; L384-Y388 PolarHBondContact O-N 2.88Å; V386-Y388 VanDerWaalsContact C-N 3.33Å; V386-Y388 PolarHBondContact O-N 3.19Å; Y388-D390 VanDerWaalsContact C-N 3.3Å; Y388-D390 PolarHBondContact O-N 2.84Å; Y388-Y391 WeakPolarHBondContact O-CB 3.28Å; Y388-Y391 PolarHBondContact O-N 2.86Å; Y388-M392 HydrophobicContact CD1-CG 4.04Å; Y388-M392 HydrophobicContact CD1-SD 3.72Å; Y388-M392 HydrophobicContact CE1-CG 3.86Å; Y388-M392 HydrophobicContact CE1-SD 3.65Å; Y388-M392 WeakPolarHBondContact O-CG 3.47Å; Y388-M392 PolarHBondContact O-N 2.89Å; Y388-V400 HydrophobicContact CE1-CG1 3.67Å; Y388-I412 HydrophobicContact CD1-CD1 4.45Å
389S98Very high97.5Very high0 Ų012.8 Ų12.80%08%0.075CC..Hα-helixtrans-62.2-38.7175.877.50000111.8A385 V386 V387 M392 L393 P409A385-S389 VanDerWaalsContact O-CB 3.3Å; A385-S389 WeakPolarHBondContact O-CB 3.38Å; A385-S389 PolarHBondContact O-N 2.78Å; A385-S389 PolarHBondContact O-OG 2.69Å; V386-S389 PolarHBondContact O-N 3.48Å; V386-S389 VanDerWaalsContact O-N 3.09Å; V386-S389 PolarHBondContact O-OG 3.02Å; V387-S389 VanDerWaalsContact C-N 3.35Å; V387-S389 PolarHBondContact O-N 3.35Å; S389-M392 WeakPolarHBondContact O-CB 3.38Å; S389-M392 PolarHBondContact O-N 3.43Å; S389-L393 WeakPolarHBondContact O-CG 3.3Å; S389-L393 PolarHBondContact O-N 2.9Å; S389-P409 WeakPolarHBondContact CB-O 3.46Å
390D97.2Very high97.4Very high1 Ų112.8 Ų12.81%0.0058%0.076CC..Hα-helixtrans-72.6-32.2178.9-62.9-28.2000111.8Y131 V386 V387 Y388 M392 L393 T394 R413 V523Y131-D390 VanDerWaalsContact CE1-OD2 3.23Å; Y131-D390 WeakPolarHBondContact CE1-OD2 3.2Å; Y131-D390 PolarHBondContact OH-OD2 2.88Å; V386-D390 PolarHBondContact O-N 3.37Å; V387-D390 PolarHBondContact O-N 2.96Å; Y388-D390 VanDerWaalsContact C-N 3.3Å; Y388-D390 PolarHBondContact O-N 2.84Å; D390-M392 VanDerWaalsContact C-N 3.35Å; D390-L393 PolarHBondContact O-N 2.78Å; D390-T394 WeakPolarHBondContact O-CB 3.28Å; D390-T394 PolarHBondContact O-N 2.85Å; D390-T394 PolarHBondContact O-OG1 3.14Å; D390-R413 IonicContact OD1-NH1 3.92Å; D390-R413 PolarHBondContact OD1-NH1 3.18Å; D390-R413 IonicContact OD2-NH1 2.74Å; D390-V523 HydrophobicContact CB-CG1 3.75Å
391Y97.6Very high97.4Very high0 Ų018 Ų180%010%0.1CC..Hα-helixtrans-62.4-43.9169.8-65.8-6000111.5E130 V315 R319 F322 F323 V387 Y388 T394 S395 V523E130-Y391 WeakPolarHBondContact OE1-CE1 3.01Å; E130-Y391 PolarHBondContact OE1-OH 2.96Å; V315-Y391 HydrophobicContact CG1-CE2 4.24Å; V315-Y391 WeakPolarHBondContact O-CE2 3.46Å; R319-Y391 HydrophobicContact CB-CD2 4.1Å; R319-Y391 HydrophobicContact CB-CE1 4.5Å; R319-Y391 HydrophobicContact CB-CE2 3.63Å; R319-Y391 PolarHBondContact NH1-OH 3.24Å; F322-Y391 HydrophobicContact CD2-CD2 4.11Å; F322-Y391 HydrophobicContact CD2-CG 4.36Å; F322-Y391 HydrophobicContact CE2-CD2 4.34Å; F323-Y391 AromaticContact CE2-CD1 3.93Å; F323-Y391 HydrophobicContact CE2-CD1 3.93Å; F323-Y391 HydrophobicContact CE2-CE1 4.37Å; F323-Y391 HydrophobicContact CE2-CG 4.24Å; F323-Y391 HydrophobicContact CZ-CD1 4.11Å; F323-Y391 HydrophobicContact CZ-CG 4.37Å; V387-Y391 HydrophobicContact CG1-CD1 4.31Å; V387-Y391 HydrophobicContact CG1-CD2 4.39Å; V387-Y391 HydrophobicContact CG1-CE1 3.63Å; V387-Y391 HydrophobicContact CG1-CE2 3.7Å; V387-Y391 WeakPolarHBondContact CG1-OH 3.39Å; V387-Y391 VanDerWaalsContact O-CD1 3.31Å; V387-Y391 WeakPolarHBondContact O-CD1 3.4Å; V387-Y391 PolarHBondContact O-N 3.44Å; Y388-Y391 WeakPolarHBondContact O-CB 3.28Å; Y388-Y391 PolarHBondContact O-N 2.86Å; Y391-T394 PolarHBondContact O-N 3.43Å; Y391-S395 VanDerWaalsContact O-CB 3.23Å; Y391-S395 WeakPolarHBondContact O-CB 3.4Å; Y391-S395 PolarHBondContact O-N 3.1Å; Y391-S395 PolarHBondContact O-OG 3.39Å; Y391-V523 HydrophobicContact CD1-CG2 3.82Å; Y391-V523 HydrophobicContact CE1-CG2 4.2Å
392M97.4Very high97.3Very high1 Ų117.7 Ų17.71%0.00510%0.098CC..Hα-helixtrans-64.1-43.4176.5-67.617268.300112F322 Y388 S389 D390 S395 Q396 T397 A399 V400 P409 I412F322-M392 HydrophobicContact CE1-CG 4.18Å; F322-M392 HydrophobicContact CZ-CG 3.9Å; Y388-M392 HydrophobicContact CD1-CG 4.04Å; Y388-M392 HydrophobicContact CD1-SD 3.72Å; Y388-M392 HydrophobicContact CE1-CG 3.86Å; Y388-M392 HydrophobicContact CE1-SD 3.65Å; Y388-M392 WeakPolarHBondContact O-CG 3.47Å; Y388-M392 PolarHBondContact O-N 2.89Å; S389-M392 WeakPolarHBondContact O-CB 3.38Å; S389-M392 PolarHBondContact O-N 3.43Å; D390-M392 VanDerWaalsContact C-N 3.35Å; M392-S395 PolarHBondContact O-OG 3.21Å; M392-Q396 PolarHBondContact O-N 2.92Å; M392-Q396 VanDerWaalsContact O-N 3.09Å; M392-T397 HydrophobicContact CE-CG2 4.22Å; M392-T397 HydrophobicContact CG-CG2 4.26Å; M392-T397 PolarHBondContact O-N 2.77Å; M392-A399 VanDerWaalsContact CE-C 3.44Å; M392-V400 HydrophobicContact CE-CG1 3.84Å; M392-V400 HydrophobicContact SD-CG1 3.76Å; M392-P409 HydrophobicContact CB-CB 4.33Å; M392-P409 HydrophobicContact CB-CG 3.71Å; M392-P409 HydrophobicContact CE-CG 3.92Å; M392-P409 HydrophobicContact SD-CG 4.42Å; M392-I412 HydrophobicContact CE-CD1 4.09Å; M392-I412 HydrophobicContact SD-CD1 3.36Å; M392-I412 WeakPolarHBondContact SD-CD1 3.48Å
393L95.2Very high97.1Very high17 Ų1722.1 Ų22.19%0.08913%0.128CC..Hα-helixtrans-59.5-52.1176-73.4174.3000111.2L45 P48 S389 D390 S395 Q396 P409 T520L45-L393 HydrophobicContact CB-CD2 3.74Å; L45-L393 HydrophobicContact CD1-CD2 3.82Å; L45-L393 HydrophobicContact CG-CD2 4.4Å; P48-L393 HydrophobicContact CG-CD1 4.18Å; S389-L393 WeakPolarHBondContact O-CG 3.3Å; S389-L393 PolarHBondContact O-N 2.9Å; D390-L393 PolarHBondContact O-N 2.78Å; L393-S395 VanDerWaalsContact C-N 3.34Å; L393-S395 PolarHBondContact O-N 2.84Å; L393-Q396 PolarHBondContact O-N 3.3Å; L393-Q396 VanDerWaalsContact O-N 3.15Å; L393-P409 HydrophobicContact CD1-CB 4.45Å; L393-P409 HydrophobicContact CD2-CB 3.75Å; L393-P409 HydrophobicContact CD2-CG 3.93Å; L393-P409 HydrophobicContact CG-CB 3.7Å; L393-P409 HydrophobicContact CG-CG 4.15Å; L393-T520 HydrophobicContact CD1-CG2 4.38Å
394T95.2Very high96.9Very high13 Ų1324.3 Ų24.38%0.0815%0.151CC..Hα-helixtrans-66.1-35.9-175.7-55.40000112.1F323 D390 Y391 Q396 V523 Q525F323-T394 HydrophobicContact CE1-CG2 3.66Å; F323-T394 HydrophobicContact CZ-CG2 4.04Å; D390-T394 WeakPolarHBondContact O-CB 3.28Å; D390-T394 PolarHBondContact O-N 2.85Å; D390-T394 PolarHBondContact O-OG1 3.14Å; Y391-T394 PolarHBondContact O-N 3.43Å; T394-Q396 VanDerWaalsContact C-N 3.31Å; T394-V523 HydrophobicContact CG2-CG2 4.12Å; T394-V523 WeakPolarHBondContact OG1-CG2 3.46Å; T394-V523 PolarHBondContact OG1-N 3.3Å; T394-Q525 HydrophobicContact CG2-CG 4.41Å
395S95.1Very high96.9Very high32 Ų3229.3 Ų29.322%0.22417%0.173CC..THydrogen-bonded Turntrans-83.7-0.6176.865.10000114.4F322 Y391 M392 L393 T397F322-S395 WeakPolarHBondContact CD1-OG 3.35Å; Y391-S395 VanDerWaalsContact O-CB 3.23Å; Y391-S395 WeakPolarHBondContact O-CB 3.4Å; Y391-S395 PolarHBondContact O-N 3.1Å; Y391-S395 PolarHBondContact O-OG 3.39Å; M392-S395 PolarHBondContact O-OG 3.21Å; L393-S395 VanDerWaalsContact C-N 3.34Å; L393-S395 PolarHBondContact O-N 2.84Å; S395-T397 PolarHBondContact O-N 3.34Å; S395-T397 PolarHBondContact OG-OG1 2.75Å
396Q95.1Very high96.8Very high122 Ų12235.7 Ų35.757%0.5720%0.198SC*.THydrogen-bonded Turntrans56.533.8-172.6-55.6-178.116.500113.5P44 V47 M392 L393 T394 A398P44-Q396 HydrophobicContact CB-CB 3.89Å; P44-Q396 WeakPolarHBondContact CB-O 3.31Å; P44-Q396 HydrophobicContact CG-CB 4.27Å; P44-Q396 WeakPolarHBondContact CG-O 3.3Å; V47-Q396 HydrophobicContact CG2-CG 3.7Å; M392-Q396 PolarHBondContact O-N 2.92Å; M392-Q396 VanDerWaalsContact O-N 3.09Å; L393-Q396 PolarHBondContact O-N 3.3Å; L393-Q396 VanDerWaalsContact O-N 3.15Å; T394-Q396 VanDerWaalsContact C-N 3.31Å; Q396-A398 PolarHBondContact O-N 3.17Å
397T96.2Very high96.8Very high28 Ų2836.7 Ų36.717%0.17220%0.202CC..  trans-79.7112.9170.6-61.80000109.4F322 M392 S395 A399F322-T397 HydrophobicContact CE1-CG2 4.15Å; F322-T397 WeakPolarHBondContact CE1-OG1 3.27Å; M392-T397 HydrophobicContact CE-CG2 4.22Å; M392-T397 HydrophobicContact CG-CG2 4.26Å; M392-T397 PolarHBondContact O-N 2.77Å; S395-T397 PolarHBondContact O-N 3.34Å; S395-T397 PolarHBondContact OG-OG1 2.75Å; T397-A399 PolarHBondContact O-N 2.91Å
398A96.9Very high96.8Very high22 Ų2237.8 Ų37.818%0.18221%0.209CC..  trans-69-33.9-171.100000114.8L42 P44 Q396 P409L42-A398 HydrophobicContact CB-CB 4.11Å; L42-A398 WeakPolarHBondContact O-CB 3.43Å; P44-A398 HydrophobicContact CB-CB 4.48Å; P44-A398 HydrophobicContact CG-CB 4.08Å; Q396-A398 PolarHBondContact O-N 3.17Å; A398-P409 WeakPolarHBondContact O-CD 3.42Å
399A97.6Very high96.7Very high23 Ų2337.9 Ų37.919%0.1921%0.21CC..  trans-164.1155.8-176.800000112.7L42 M392 T397 Y406 Y407L42-A399 HydrophobicContact CD1-CB 3.74Å; M392-A399 VanDerWaalsContact CE-C 3.44Å; T397-A399 PolarHBondContact O-N 2.91Å; A399-Y406 HydrophobicContact CB-CD1 4.21Å; A399-Y407 CarbonylContact C-O 3.45Å; A399-Y407 WeakPolarHBondContact CA-O 3.49Å; A399-Y407 VanDerWaalsContact CB-O 3.23Å; A399-Y407 WeakPolarHBondContact CB-O 3.26Å
400V97.4Very high96.6Very high1 Ų141 Ų411%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-89.2149.2159.6-63.60000109.8E344 I347 Y388 M392 Y406 Y407 I412E344-V400 HydrophobicContact CG-CG1 4.01Å; I347-V400 HydrophobicContact CG2-CG2 4.32Å; Y388-V400 HydrophobicContact CE1-CG1 3.67Å; M392-V400 HydrophobicContact CE-CG1 3.84Å; M392-V400 HydrophobicContact SD-CG1 3.76Å; V400-Y406 WeakPolarHBondContact O-CA 3.42Å; V400-Y407 PolarHBondContact N-O 2.91Å; V400-Y407 PolarHBondContact O-N 3.37Å; V400-I412 HydrophobicContact CG1-CD1 4.28Å; V400-I412 HydrophobicContact CG2-CD1 4.07Å
401Q96.9Very high96.7Very high108 Ų10844 Ų4451%0.50525%0.245SC..EExtended strand (participates in β ladder)trans-106.2106.5177.4-173178.70.700110.9K405 Y406Q401-K405 CarbonylContact C-O 3.47Å; Q401-K405 WeakPolarHBondContact CA-O 3.5Å; Q401-Y406 HydrophobicContact CB-CD1 4.05Å; Q401-Y406 HydrophobicContact CB-CE1 3.81Å; Q401-Y406 HydrophobicContact CG-CD1 4.24Å; Q401-Y406 HydrophobicContact CG-CE1 3.8Å; Q401-Y406 PolarHBondContact NE2-OH 2.99Å; Q401-Y406 PolarHBondContact OE1-OH 3.27Å
402C97.5Very high96.7Very high2 Ų244 Ų441%0.01425%0.245CC..EExtended strand (participates in β ladder)trans-102.4101178.4-50.50000110.3C348 S354 P355 G404 K405 Y407C348-C402 WeakPolarHBondContact CA-SG 3.44Å; C348-C402 HydrophobicContact CB-CB 3.57Å; C348-C402 WeakPolarHBondContact CB-SG 3.41Å; C348-C402 WeakPolarHBondContact SG-CA 3.48Å; C348-C402 WeakPolarHBondContact SG-CB 3.45Å; C348-C402 CovalentContact SG-SG 2.03Å; C348-C402 PolarHBondContact SG-SG 3.48Å; S354-C402 VanDerWaalsContact OG-CB 3.28Å; S354-C402 WeakPolarHBondContact OG-CB 3.46Å; P355-C402 WeakPolarHBondContact CD-O 3.28Å; C402-G404 PolarHBondContact O-N 2.99Å; C402-G404 VanDerWaalsContact O-N 3.12Å; C402-K405 PolarHBondContact N-O 3Å; C402-K405 PolarHBondContact O-N 2.91Å; C402-Y407 HydrophobicContact CB-CD2 3.93Å; C402-Y407 HydrophobicContact CB-CE2 3.79Å; C402-Y407 VanDerWaalsContact SG-CD2 3.56Å
403S95.3Very high96.8Very high92 Ų9245.4 Ų45.464%0.64325%0.25SS*.THydrogen-bonded Turntrans49.741.9176.1-63.70000114
404G94.4Very high96.9Very high47 Ų4748.7 Ų48.749%0.48527%0.268SS..THydrogen-bonded Turntrans92.6-10.3178.700000115.7C402C402-G404 PolarHBondContact O-N 2.99Å; C402-G404 VanDerWaalsContact O-N 3.12Å
405K97.5Very high97.1Very high106 Ų10648.4 Ų48.446%0.46127%0.266SS..EExtended strand (participates in β ladder)trans-95.7152.5168.6-68.7-166.3-171.7172.70110.8D353 P355 Q401 C402 Y407D353-K405 PolarHBondContact O-NZ 3.23Å; D353-K405 VanDerWaalsContact O-NZ 3.14Å; P355-K405 HydrophobicContact CG-CB 4.42Å; P355-K405 HydrophobicContact CG-CD 3.93Å; P355-K405 HydrophobicContact CG-CG 3.95Å; Q401-K405 CarbonylContact C-O 3.47Å; Q401-K405 WeakPolarHBondContact CA-O 3.5Å; C402-K405 PolarHBondContact N-O 3Å; C402-K405 PolarHBondContact O-N 2.91Å; K405-Y407 HydrophobicContact CB-CE2 3.69Å; K405-Y407 WeakPolarHBondContact CD-OH 3.39Å
406Y97.6Very high97.2Very high134 Ų13446.9 Ų46.953%0.52526%0.255SS..EExtended strand (participates in β ladder)trans-113.7135.2-179.8-66.4-87.4000110.5L42 A399 V400 Q401L42-Y406 HydrophobicContact CD1-CG 4.41Å; A399-Y406 HydrophobicContact CB-CD1 4.21Å; V400-Y406 WeakPolarHBondContact O-CA 3.42Å; Q401-Y406 HydrophobicContact CB-CD1 4.05Å; Q401-Y406 HydrophobicContact CB-CE1 3.81Å; Q401-Y406 HydrophobicContact CG-CD1 4.24Å; Q401-Y406 HydrophobicContact CG-CE1 3.8Å; Q401-Y406 PolarHBondContact NE2-OH 2.99Å; Q401-Y406 PolarHBondContact OE1-OH 3.27Å
407Y98.1Very high97.4Very high22 Ų2243 Ų439%0.08624%0.238CC..EExtended strand (participates in β ladder)trans-125.8127179.4-64.5-91000110L351 D353 S354 A399 V400 C402 K405 D411L351-Y407 HydrophobicContact CD1-CD1 3.75Å; L351-Y407 HydrophobicContact CD1-CD2 3.9Å; L351-Y407 HydrophobicContact CD1-CE1 4.41Å; L351-Y407 HydrophobicContact CD1-CG 3.47Å; L351-Y407 VanDerWaalsContact CD1-CG 3.47Å; D353-Y407 HydrophobicContact CB-CE1 4.35Å; D353-Y407 PolarHBondContact O-OH 2.69Å; S354-Y407 WeakPolarHBondContact CA-OH 3.02Å; S354-Y407 PolarHBondContact N-OH 3.38Å; A399-Y407 CarbonylContact C-O 3.45Å; A399-Y407 WeakPolarHBondContact CA-O 3.49Å; A399-Y407 VanDerWaalsContact CB-O 3.23Å; A399-Y407 WeakPolarHBondContact CB-O 3.26Å; V400-Y407 PolarHBondContact N-O 2.91Å; V400-Y407 PolarHBondContact O-N 3.37Å; C402-Y407 HydrophobicContact CB-CD2 3.93Å; C402-Y407 HydrophobicContact CB-CE2 3.79Å; C402-Y407 VanDerWaalsContact SG-CD2 3.56Å; K405-Y407 HydrophobicContact CB-CE2 3.69Å; K405-Y407 WeakPolarHBondContact CD-OH 3.39Å; Y407-D411 HydrophobicContact CD1-CB 4.11Å
408S97.6Very high97.5Very high22 Ų2244.1 Ų44.115%0.15425%0.247CC..  trans-76.7165.8179.370.10000111.8T410 D411 I412S408-T410 PolarHBondContact O-N 3.4Å; S408-T410 PolarHBondContact OG-N 3.1Å; S408-D411 WeakPolarHBondContact CB-OD2 3.46Å; S408-D411 PolarHBondContact N-OD2 2.83Å; S408-D411 WeakPolarHBondContact O-CB 3.31Å; S408-D411 PolarHBondContact O-N 2.94Å; S408-D411 VanDerWaalsContact OG-CG 3.3Å; S408-D411 PolarHBondContact OG-N 3.05Å; S408-D411 PolarHBondContact OG-OD2 2.79Å; S408-I412 PolarHBondContact O-N 2.8Å
409P97.2Very high97.6Very high3 Ų343.2 Ų43.22%0.01924%0.239CC..Hα-helixtrans-53.7-36170-25.433.6000113.1S389 M392 L393 A398 D411 I412 R413S389-P409 WeakPolarHBondContact CB-O 3.46Å; M392-P409 HydrophobicContact CB-CB 4.33Å; M392-P409 HydrophobicContact CB-CG 3.71Å; M392-P409 HydrophobicContact CE-CG 3.92Å; M392-P409 HydrophobicContact SD-CG 4.42Å; L393-P409 HydrophobicContact CD1-CB 4.45Å; L393-P409 HydrophobicContact CD2-CB 3.75Å; L393-P409 HydrophobicContact CD2-CG 3.93Å; L393-P409 HydrophobicContact CG-CB 3.7Å; L393-P409 HydrophobicContact CG-CG 4.15Å; A398-P409 WeakPolarHBondContact O-CD 3.42Å; P409-D411 VanDerWaalsContact C-N 3.35Å; P409-D411 PolarHBondContact O-N 2.78Å; P409-I412 PolarHBondContact O-N 2.76Å; P409-R413 WeakPolarHBondContact O-CB 3.32Å; P409-R413 PolarHBondContact O-N 2.95Å
410T96.6Very high97.7Very high64 Ų6442.1 Ų42.139%0.39323%0.23SC..Hα-helixtrans-63.4-39.2176.9-56.30000112.1L45 S408 I412 R413 N414L45-T410 VanDerWaalsContact CD1-OG1 3.3Å; L45-T410 WeakPolarHBondContact CD1-OG1 3.49Å; S408-T410 PolarHBondContact O-N 3.4Å; S408-T410 PolarHBondContact OG-N 3.1Å; T410-I412 VanDerWaalsContact C-N 3.32Å; T410-I412 PolarHBondContact O-N 2.96Å; T410-R413 PolarHBondContact O-N 3.1Å; T410-N414 VanDerWaalsContact O-CB 3.3Å; T410-N414 WeakPolarHBondContact O-CB 3.48Å; T410-N414 PolarHBondContact O-N 3.17Å; T410-N414 PolarHBondContact O-ND2 3.41Å
411D98.1Very high97.8Very high65 Ų6543.4 Ų43.435%0.34824%0.237SC..Hα-helixtrans-64.5-40.3178.2-59-54.5000111.1Y407 S408 P409 N414 F415Y407-D411 HydrophobicContact CD1-CB 4.11Å; S408-D411 WeakPolarHBondContact CB-OD2 3.46Å; S408-D411 PolarHBondContact N-OD2 2.83Å; S408-D411 WeakPolarHBondContact O-CB 3.31Å; S408-D411 PolarHBondContact O-N 2.94Å; S408-D411 VanDerWaalsContact OG-CG 3.3Å; S408-D411 PolarHBondContact OG-N 3.05Å; S408-D411 PolarHBondContact OG-OD2 2.79Å; P409-D411 VanDerWaalsContact C-N 3.35Å; P409-D411 PolarHBondContact O-N 2.78Å; D411-N414 PolarHBondContact O-N 3.27Å; D411-F415 PolarHBondContact O-N 3.09Å; D411-F415 VanDerWaalsContact O-N 3.16Å
412I98.6Very high97.9Very high1 Ų138.5 Ų38.51%0.00521%0.214CC..Hα-helixtrans-67.5-44.9177-58.8164.5000110.8I347 L351 A385 Y388 M392 V400 S408 P409 T410 N414 F415 A416I347-I412 HydrophobicContact CD1-CG2 4.31Å; I347-I412 HydrophobicContact CG2-CD1 3.68Å; I347-I412 HydrophobicContact CG2-CG1 3.67Å; I347-I412 HydrophobicContact CG2-CG2 4.04Å; L351-I412 HydrophobicContact CD1-CG1 4.24Å; L351-I412 HydrophobicContact CD2-CG1 4.27Å; A385-I412 HydrophobicContact CB-CG2 3.76Å; A385-I412 WeakPolarHBondContact O-CG2 3.5Å; Y388-I412 HydrophobicContact CD1-CD1 4.45Å; M392-I412 HydrophobicContact CE-CD1 4.09Å; M392-I412 HydrophobicContact SD-CD1 3.36Å; M392-I412 WeakPolarHBondContact SD-CD1 3.48Å; V400-I412 HydrophobicContact CG1-CD1 4.28Å; V400-I412 HydrophobicContact CG2-CD1 4.07Å; S408-I412 PolarHBondContact O-N 2.8Å; P409-I412 PolarHBondContact O-N 2.76Å; T410-I412 VanDerWaalsContact C-N 3.32Å; T410-I412 PolarHBondContact O-N 2.96Å; I412-N414 VanDerWaalsContact C-N 3.33Å; I412-N414 PolarHBondContact O-N 3.15Å; I412-F415 WeakPolarHBondContact O-CB 3.17Å; I412-F415 PolarHBondContact O-N 2.98Å; I412-A416 PolarHBondContact O-N 3.02Å
413R97.9Very high97.9Very high29 Ų2938.4 Ų38.411%0.10921%0.213CC..Hα-helixtrans-64.5-37.5176.7-169.1173.2-179.889.13.4112.1D390 P409 T410 F415 A416 I417 G516 L517 T519 T520D390-R413 IonicContact OD1-NH1 3.92Å; D390-R413 PolarHBondContact OD1-NH1 3.18Å; D390-R413 IonicContact OD2-NH1 2.74Å; P409-R413 WeakPolarHBondContact O-CB 3.32Å; P409-R413 PolarHBondContact O-N 2.95Å; T410-R413 PolarHBondContact O-N 3.1Å; R413-F415 VanDerWaalsContact C-N 3.31Å; R413-F415 PolarHBondContact O-N 3.09Å; R413-A416 WeakPolarHBondContact O-CB 3.2Å; R413-A416 PolarHBondContact O-N 2.99Å; R413-A416 VanDerWaalsContact O-N 3.14Å; R413-I417 HydrophobicContact CG-CD1 4.27Å; R413-I417 WeakPolarHBondContact O-CG1 3.13Å; R413-I417 PolarHBondContact O-N 2.76Å; R413-G516 VanDerWaalsContact CZ-O 3.27Å; R413-G516 PolarHBondContact NH1-O 3.32Å; R413-G516 PolarHBondContact NH2-O 2.9Å; R413-L517 HydrophobicContact CG-CD2 4.37Å; R413-T519 PolarHBondContact NH2-O 3.27Å; R413-T520 PolarHBondContact NH2-OG1 3.05Å
414N98.4Very high98.1Very high86 Ų8634.7 Ų34.746%0.4619%0.186SC..Hα-helixtrans-62.9-36.6174.6-75.6-19000112.2T410 D411 I412 I417 S418T410-N414 VanDerWaalsContact O-CB 3.3Å; T410-N414 WeakPolarHBondContact O-CB 3.48Å; T410-N414 PolarHBondContact O-N 3.17Å; T410-N414 PolarHBondContact O-ND2 3.41Å; D411-N414 PolarHBondContact O-N 3.27Å; I412-N414 VanDerWaalsContact C-N 3.33Å; I412-N414 PolarHBondContact O-N 3.15Å; N414-I417 PolarHBondContact O-N 2.61Å; N414-S418 PolarHBondContact O-N 2.99Å
415F98.7Very high98.3Very high7 Ų733.3 Ų33.33%0.03117%0.172CC..Hα-helixtrans-60.1-49.2170.1160.4-98.3000110.9L350 L351 V367 A381 A385 D411 I412 R413 I417 S418 Q419L350-F415 HydrophobicContact CB-CD1 4.13Å; L350-F415 HydrophobicContact CB-CE1 3.75Å; L350-F415 HydrophobicContact CB-CE2 4.37Å; L350-F415 HydrophobicContact CB-CZ 3.88Å; L350-F415 HydrophobicContact CD1-CE1 3.89Å; L350-F415 HydrophobicContact CD1-CZ 4.39Å; L350-F415 HydrophobicContact CD2-CE1 4.47Å; L350-F415 HydrophobicContact CD2-CZ 4.14Å; L350-F415 HydrophobicContact CG-CE1 4.24Å; L350-F415 HydrophobicContact CG-CZ 4.35Å; L350-F415 WeakPolarHBondContact O-CD2 3.2Å; L350-F415 VanDerWaalsContact O-CE2 3.25Å; L350-F415 WeakPolarHBondContact O-CE2 3.37Å; L351-F415 HydrophobicContact CD2-CB 4.09Å; V367-F415 HydrophobicContact CG2-CE2 3.93Å; V367-F415 HydrophobicContact CG2-CZ 3.8Å; A381-F415 HydrophobicContact CB-CZ 4.44Å; A385-F415 HydrophobicContact CB-CD1 3.66Å; A385-F415 HydrophobicContact CB-CE1 3.9Å; D411-F415 PolarHBondContact O-N 3.09Å; D411-F415 VanDerWaalsContact O-N 3.16Å; I412-F415 WeakPolarHBondContact O-CB 3.17Å; I412-F415 PolarHBondContact O-N 2.98Å; R413-F415 VanDerWaalsContact C-N 3.31Å; R413-F415 PolarHBondContact O-N 3.09Å; F415-I417 VanDerWaalsContact C-N 3.32Å; F415-I417 PolarHBondContact O-N 2.78Å; F415-S418 WeakPolarHBondContact O-CB 3.41Å; F415-S418 PolarHBondContact O-N 2.97Å; F415-S418 PolarHBondContact O-OG 2.88Å; F415-Q419 HydrophobicContact CD2-CG 4.3Å; F415-Q419 HydrophobicContact CE1-CG 4.26Å; F415-Q419 HydrophobicContact CE2-CG 3.65Å; F415-Q419 HydrophobicContact CZ-CG 3.63Å; F415-Q419 PolarHBondContact O-N 2.97Å
416A98.7Very high98.3Very high0 Ų034 Ų340%018%0.18CC..Hα-helixtrans-60.2-42178.600000112.7A382 A385 V386 I412 R413 S418 Q419 A420 L513A382-A416 HydrophobicContact CB-CB 4.22Å; A382-A416 WeakPolarHBondContact O-CB 3.37Å; A385-A416 HydrophobicContact CB-CB 4.27Å; V386-A416 HydrophobicContact CG2-CB 3.28Å; I412-A416 PolarHBondContact O-N 3.02Å; R413-A416 WeakPolarHBondContact O-CB 3.2Å; R413-A416 PolarHBondContact O-N 2.99Å; R413-A416 VanDerWaalsContact O-N 3.14Å; A416-S418 VanDerWaalsContact C-N 3.29Å; A416-S418 PolarHBondContact O-N 3.41Å; A416-Q419 PolarHBondContact O-N 2.85Å; A416-A420 PolarHBondContact O-N 3.03Å; A416-L513 HydrophobicContact CB-CD1 4.16Å
417I98.8Very high98.3Very high42 Ų4228.2 Ų28.222%0.21516%0.159CC..Hα-helixtrans-57.1-41.7172.9-73.5167.1000111.1Y58 R413 N414 F415 Q419 A420 N421 L517Y58-I417 WeakPolarHBondContact OH-CG2 3.38Å; R413-I417 HydrophobicContact CG-CD1 4.27Å; R413-I417 WeakPolarHBondContact O-CG1 3.13Å; R413-I417 PolarHBondContact O-N 2.76Å; N414-I417 PolarHBondContact O-N 2.61Å; F415-I417 VanDerWaalsContact C-N 3.32Å; F415-I417 PolarHBondContact O-N 2.78Å; I417-Q419 VanDerWaalsContact C-N 3.32Å; I417-Q419 PolarHBondContact O-N 3.21Å; I417-A420 PolarHBondContact O-N 3.05Å; I417-N421 WeakPolarHBondContact CG2-ND2 3.39Å; I417-N421 VanDerWaalsContact O-CB 3.24Å; I417-N421 WeakPolarHBondContact O-CB 3.31Å; I417-N421 PolarHBondContact O-N 3.06Å; I417-N421 PolarHBondContact O-ND2 2.96Å; I417-L517 HydrophobicContact CD1-CD2 4.39Å; I417-L517 HydrophobicContact CG1-CD1 4.27Å; I417-L517 HydrophobicContact CG1-CD2 3.64Å
418S98.7Very high98.4Very high51 Ų5130.9 Ų30.936%0.35718%0.179SC..Hα-helixtrans-61-40.517877.60000112.3N414 F415 A416 Y422N414-S418 PolarHBondContact O-N 2.99Å; F415-S418 WeakPolarHBondContact O-CB 3.41Å; F415-S418 PolarHBondContact O-N 2.97Å; F415-S418 PolarHBondContact O-OG 2.88Å; A416-S418 VanDerWaalsContact C-N 3.29Å; A416-S418 PolarHBondContact O-N 3.41Å; S418-Y422 WeakPolarHBondContact O-CB 3.19Å; S418-Y422 PolarHBondContact O-N 2.76Å
419Q98.8Very high98.4Very high2 Ų233.8 Ų33.81%0.00919%0.191CC..Hα-helixtrans-72.2-42.4179.2-55.2-54.7-76.100111.2G365 A382 F415 A416 I417 N421 Y422 I423G365-Q419 PolarHBondContact O-NE2 3.1Å; A382-Q419 HydrophobicContact CB-CB 3.69Å; A382-Q419 HydrophobicContact CB-CG 4.03Å; F415-Q419 HydrophobicContact CD2-CG 4.3Å; F415-Q419 HydrophobicContact CE1-CG 4.26Å; F415-Q419 HydrophobicContact CE2-CG 3.65Å; F415-Q419 HydrophobicContact CZ-CG 3.63Å; F415-Q419 PolarHBondContact O-N 2.97Å; A416-Q419 PolarHBondContact O-N 2.85Å; I417-Q419 VanDerWaalsContact C-N 3.32Å; I417-Q419 PolarHBondContact O-N 3.21Å; Q419-N421 PolarHBondContact O-N 2.94Å; Q419-Y422 WeakPolarHBondContact O-CB 3.43Å; Q419-Y422 PolarHBondContact O-N 3.39Å; Q419-I423 WeakPolarHBondContact O-CG1 3.41Å; Q419-I423 PolarHBondContact O-N 3.33Å
420A98.8Very high98.4Very high0 Ų041.9 Ų41.90%023%0.226CC..Hα-helixtrans-61-44.7174.400000111.4Y58 A416 I417 Y422 I423 L424 L513 L517Y58-A420 HydrophobicContact CE1-CB 4.11Å; A416-A420 PolarHBondContact O-N 3.03Å; I417-A420 PolarHBondContact O-N 3.05Å; A420-Y422 VanDerWaalsContact C-N 3.35Å; A420-Y422 PolarHBondContact O-N 2.81Å; A420-I423 PolarHBondContact O-N 3.14Å; A420-L424 WeakPolarHBondContact O-CB 3.41Å; A420-L424 WeakPolarHBondContact O-CG 3.41Å; A420-L424 PolarHBondContact O-N 3.07Å; A420-L513 HydrophobicContact CB-CD2 4Å; A420-L513 HydrophobicContact CB-CG 4.27Å; A420-L517 HydrophobicContact CB-CD1 3.5Å
421N98.8Very high98.5Very high29 Ų2939.8 Ų39.816%0.15521%0.212CC..Hα-helixtrans-62.9-42.1177.1-73.3-14.7000111.8K57 Y58 I417 Q419 I423 L424 G425 D426K57-N421 PolarHBondContact NZ-OD1 3.37Å; Y58-N421 PolarHBondContact OH-OD1 2.95Å; Y58-N421 VanDerWaalsContact OH-OD1 3.1Å; I417-N421 WeakPolarHBondContact CG2-ND2 3.39Å; I417-N421 VanDerWaalsContact O-CB 3.24Å; I417-N421 WeakPolarHBondContact O-CB 3.31Å; I417-N421 PolarHBondContact O-N 3.06Å; I417-N421 PolarHBondContact O-ND2 2.96Å; Q419-N421 PolarHBondContact O-N 2.94Å; N421-I423 PolarHBondContact O-N 3.2Å; N421-L424 CarbonylContact O-C 3.45Å; N421-L424 PolarHBondContact O-N 2.69Å; N421-G425 PolarHBondContact O-N 3.08Å; N421-G425 VanDerWaalsContact O-N 3.14Å; N421-D426 HydrophobicContact CB-CB 3.99Å; N421-D426 WeakPolarHBondContact O-CB 3.24Å; N421-D426 PolarHBondContact O-N 3.3Å
422Y98.8Very high98.5Very high4 Ų436.9 Ų36.92%0.01620%0.197CC..Hα-helixtrans-57.1-49.5173.3-172.8-71.6000111L366 S418 Q419 A420 L424 G425 D426 N427 Y433 P484 D488L366-Y422 HydrophobicContact CB-CD1 4.19Å; L366-Y422 HydrophobicContact CB-CD2 4.08Å; L366-Y422 HydrophobicContact CB-CE1 3.97Å; L366-Y422 HydrophobicContact CB-CE2 3.85Å; L366-Y422 HydrophobicContact CB-CG 4.26Å; L366-Y422 HydrophobicContact CD1-CD1 3.64Å; L366-Y422 HydrophobicContact CD1-CE1 3.95Å; L366-Y422 HydrophobicContact CD1-CG 4.07Å; L366-Y422 HydrophobicContact CD2-CD1 4.27Å; L366-Y422 HydrophobicContact CD2-CE1 3.7Å; L366-Y422 HydrophobicContact CG-CD1 4.24Å; L366-Y422 HydrophobicContact CG-CE1 4.08Å; S418-Y422 WeakPolarHBondContact O-CB 3.19Å; S418-Y422 PolarHBondContact O-N 2.76Å; Q419-Y422 WeakPolarHBondContact O-CB 3.43Å; Q419-Y422 PolarHBondContact O-N 3.39Å; A420-Y422 VanDerWaalsContact C-N 3.35Å; A420-Y422 PolarHBondContact O-N 2.81Å; Y422-L424 VanDerWaalsContact C-N 3.26Å; Y422-L424 PolarHBondContact O-N 3.4Å; Y422-G425 PolarHBondContact O-N 3.23Å; Y422-D426 WeakPolarHBondContact CA-O 3.38Å; Y422-N427 HydrophobicContact CD1-CB 3.83Å; Y422-N427 HydrophobicContact CD2-CB 3.59Å; Y422-N427 HydrophobicContact CE1-CB 3.71Å; Y422-N427 HydrophobicContact CE2-CB 3.46Å; Y422-N427 VanDerWaalsContact CE2-CB 3.46Å; Y422-N427 HydrophobicContact CG-CB 3.76Å; Y422-N427 PolarHBondContact O-ND2 3.45Å; Y422-Y433 HydrophobicContact CD1-CD2 4.49Å; Y422-Y433 HydrophobicContact CD1-CE2 4.13Å; Y422-Y433 HydrophobicContact CE1-CD2 4.31Å; Y422-Y433 AromaticContact CE1-CE2 3.59Å; Y422-Y433 HydrophobicContact CE1-CE2 3.59Å; Y422-P484 HydrophobicContact CE1-CG 4.04Å; Y422-D488 PolarHBondContact OH-OD1 3.2Å
423I98.9Very high98.5Very high0 Ų036.8 Ų36.80%020%0.197CC..Hα-helixtrans-58.3-40.1177.7-70.3162.4000111.3L375 T379 Q419 A420 N421 G425 Y433 L480 L510L375-I423 HydrophobicContact CD2-CG1 3.84Å; T379-I423 WeakPolarHBondContact OG1-CD1 3.48Å; Q419-I423 WeakPolarHBondContact O-CG1 3.41Å; Q419-I423 PolarHBondContact O-N 3.33Å; A420-I423 PolarHBondContact O-N 3.14Å; N421-I423 PolarHBondContact O-N 3.2Å; I423-G425 VanDerWaalsContact C-N 3.3Å; I423-G425 PolarHBondContact O-N 2.93Å; I423-Y433 PolarHBondContact O-N 3.16Å; I423-L480 HydrophobicContact CG2-CD1 3.68Å; I423-L510 HydrophobicContact CD1-CD1 4.37Å; I423-L510 HydrophobicContact CG2-CD1 4.27Å
424L98.8Very high98.6Very high14 Ų1435.4 Ų35.47%0.07319%0.191CC..THydrogen-bonded Turntrans-85.89-176.7-62.4177.1000114.5Y58 A61 A420 N421 Y422 L434 Y437 L514Y58-L424 HydrophobicContact CD1-CD1 4.1Å; Y58-L424 HydrophobicContact CE1-CD1 4.23Å; A61-L424 HydrophobicContact CB-CD1 3.98Å; A61-L424 HydrophobicContact CB-CD2 3.82Å; A420-L424 WeakPolarHBondContact O-CB 3.41Å; A420-L424 WeakPolarHBondContact O-CG 3.41Å; A420-L424 PolarHBondContact O-N 3.07Å; N421-L424 CarbonylContact O-C 3.45Å; N421-L424 PolarHBondContact O-N 2.69Å; Y422-L424 VanDerWaalsContact C-N 3.26Å; Y422-L424 PolarHBondContact O-N 3.4Å; L424-L434 HydrophobicContact CD2-CB 4.18Å; L424-L434 HydrophobicContact CD2-CD2 3.91Å; L424-Y437 HydrophobicContact CB-CD1 4.28Å; L424-Y437 HydrophobicContact CB-CE1 3.87Å; L424-Y437 HydrophobicContact CD1-CE1 4.29Å; L424-Y437 HydrophobicContact CD2-CD1 3.67Å; L424-Y437 HydrophobicContact CD2-CE1 3.76Å; L424-Y437 HydrophobicContact CD2-CG 4.15Å; L424-Y437 HydrophobicContact CG-CD1 4.48Å; L424-Y437 HydrophobicContact CG-CE1 4.17Å; L424-L514 HydrophobicContact CD1-CD2 4.09Å
425G98.4Very high98.6Very high19 Ų1931.5 Ų31.520%0.19617%0.17CC..THydrogen-bonded Turntrans115.7-4.4169.600000116.7N421 Y422 I423 N427 K430 L431N421-G425 PolarHBondContact O-N 3.08Å; N421-G425 VanDerWaalsContact O-N 3.14Å; Y422-G425 PolarHBondContact O-N 3.23Å; I423-G425 VanDerWaalsContact C-N 3.3Å; I423-G425 PolarHBondContact O-N 2.93Å; G425-N427 WeakPolarHBondContact CA-ND2 3.38Å; G425-N427 PolarHBondContact O-N 3.24Å; G425-K430 WeakPolarHBondContact O-CA 3.22Å; G425-L431 WeakPolarHBondContact CA-O 3.36Å
426D98.3Very high98.5Very high119 Ų11932 Ų3264%0.63618%0.178SC*.  trans-81.864171.4-167.816000110.4N421 Y422N421-D426 HydrophobicContact CB-CB 3.99Å; N421-D426 WeakPolarHBondContact O-CB 3.24Å; N421-D426 PolarHBondContact O-N 3.3Å; Y422-D426 WeakPolarHBondContact CA-O 3.38Å
427N98.3Very high98.5Very high13 Ų1333.5 Ų33.57%0.0718%0.183CC..SBendtrans-139.7167.6-176.163.362.5000110.7Y422 G425 M429 K430 L431 Y433Y422-N427 HydrophobicContact CD1-CB 3.83Å; Y422-N427 HydrophobicContact CD2-CB 3.59Å; Y422-N427 HydrophobicContact CE1-CB 3.71Å; Y422-N427 HydrophobicContact CE2-CB 3.46Å; Y422-N427 VanDerWaalsContact CE2-CB 3.46Å; Y422-N427 HydrophobicContact CG-CB 3.76Å; Y422-N427 PolarHBondContact O-ND2 3.45Å; G425-N427 WeakPolarHBondContact CA-ND2 3.38Å; G425-N427 PolarHBondContact O-N 3.24Å; N427-M429 PolarHBondContact O-N 3.2Å; N427-M429 VanDerWaalsContact O-N 3.09Å; N427-M429 WeakPolarHBondContact OD1-CA 3.39Å; N427-M429 WeakPolarHBondContact OD1-CB 3.45Å; N427-M429 PolarHBondContact OD1-N 2.73Å; N427-K430 PolarHBondContact O-N 2.89Å; N427-K430 PolarHBondContact OD1-N 3.18Å; N427-L431 PolarHBondContact ND2-O 3.26Å; N427-L431 PolarHBondContact OD1-N 2.96Å; N427-Y433 WeakPolarHBondContact ND2-CE2 3.34Å
428P98.2Very high98.4Very high79 Ų7934 Ų3451%0.51320%0.199SC..THydrogen-bonded Turntrans-56-27.8-178.7-31.139.9000115.1D488P428-D488 HydrophobicContact CB-CB 3.94Å; P428-D488 HydrophobicContact CG-CB 3.66Å
429M97.8Very high98.3Very high83 Ų8337.8 Ų37.841%0.40923%0.226SC..THydrogen-bonded Turntrans-83-12.5177-63.7-64-62.900113.4N427 L431 D488 F490N427-M429 PolarHBondContact O-N 3.2Å; N427-M429 VanDerWaalsContact O-N 3.09Å; N427-M429 WeakPolarHBondContact OD1-CA 3.39Å; N427-M429 WeakPolarHBondContact OD1-CB 3.45Å; N427-M429 PolarHBondContact OD1-N 2.73Å; M429-L431 HydrophobicContact CB-CB 3.94Å; M429-L431 PolarHBondContact O-N 3.45Å; M429-D488 VanDerWaalsContact CG-O 3.24Å; M429-D488 WeakPolarHBondContact CG-O 3.43Å; M429-F490 HydrophobicContact CE-CB 4.44Å; M429-F490 HydrophobicContact CG-CB 4.28Å
430K98Very high98.3Very high172 Ų17240.5 Ų40.575%0.74825%0.245SC*.  trans52.437-172.6-56.3-177.3-178.7-1790112.7G425 N427G425-K430 WeakPolarHBondContact O-CA 3.22Å; N427-K430 PolarHBondContact O-N 2.89Å; N427-K430 PolarHBondContact OD1-N 3.18Å
431L98.1Very high98.3Very high21 Ų2143.5 Ų43.511%0.1126%0.257CS..  trans-122.4124.5-170.7-176.972.5000109.9G425 N427 M429 Y433 S440 P442 F490G425-L431 WeakPolarHBondContact CA-O 3.36Å; N427-L431 PolarHBondContact ND2-O 3.26Å; N427-L431 PolarHBondContact OD1-N 2.96Å; M429-L431 HydrophobicContact CB-CB 3.94Å; M429-L431 PolarHBondContact O-N 3.45Å; L431-Y433 HydrophobicContact CD2-CD1 4.49Å; L431-Y433 HydrophobicContact CD2-CE1 4.1Å; L431-Y433 PolarHBondContact O-N 3.17Å; L431-S440 WeakPolarHBondContact CD1-OG 3.4Å; L431-P442 HydrophobicContact CD2-CG 4.21Å; L431-F490 HydrophobicContact CD2-CD1 3.58Å; L431-F490 HydrophobicContact CD2-CE1 4.02Å; L431-F490 HydrophobicContact CD2-CG 4.22Å
432S98.7Very high98.2Very high3 Ų342.2 Ų42.22%0.02125%0.249CC..  trans-69.5123.7169.51750000109.4L434 Y437 S440 Y441 P442S432-L434 PolarHBondContact OG-N 3.24Å; S432-L434 PolarHBondContact OG-O 3.06Å; S432-Y437 WeakPolarHBondContact CB-O 3.41Å; S432-Y437 PolarHBondContact OG-O 3.44Å; S432-S440 WeakPolarHBondContact CB-O 3.45Å; S432-S440 PolarHBondContact N-O 2.86Å; S432-Y441 VanDerWaalsContact O-CA 3.31Å; S432-Y441 WeakPolarHBondContact O-CA 3.08Å; S432-Y441 WeakPolarHBondContact O-CB 3.5Å; S432-P442 WeakPolarHBondContact O-CD 3.39Å
433Y98.8Very high98.2Very high0 Ų047 Ų470%027%0.272CS..SBendtrans-81-6.9172.5-62.6-63.9000112.9L375 Y422 I423 N427 L431 V481 P484 F490L375-Y433 HydrophobicContact CD1-CD1 4.43Å; L375-Y433 HydrophobicContact CD1-CD2 3.96Å; L375-Y433 HydrophobicContact CD1-CG 3.68Å; Y422-Y433 HydrophobicContact CD1-CD2 4.49Å; Y422-Y433 HydrophobicContact CD1-CE2 4.13Å; Y422-Y433 HydrophobicContact CE1-CD2 4.31Å; Y422-Y433 AromaticContact CE1-CE2 3.59Å; Y422-Y433 HydrophobicContact CE1-CE2 3.59Å; I423-Y433 PolarHBondContact O-N 3.16Å; N427-Y433 WeakPolarHBondContact ND2-CE2 3.34Å; L431-Y433 HydrophobicContact CD2-CD1 4.49Å; L431-Y433 HydrophobicContact CD2-CE1 4.1Å; L431-Y433 PolarHBondContact O-N 3.17Å; Y433-V481 HydrophobicContact CD1-CG2 3.8Å; Y433-V481 HydrophobicContact CG-CG2 4.3Å; Y433-V481 PolarHBondContact O-N 2.61Å; Y433-P484 HydrophobicContact CE2-CG 4.31Å; Y433-F490 AromaticContact CD1-CD2 3.96Å; Y433-F490 HydrophobicContact CD1-CD2 3.96Å; Y433-F490 AromaticContact CD1-CE2 3.99Å; Y433-F490 HydrophobicContact CD1-CE2 3.99Å; Y433-F490 HydrophobicContact CD1-CG 4.4Å; Y433-F490 HydrophobicContact CD1-CZ 4.49Å; Y433-F490 HydrophobicContact CE1-CB 3.85Å; Y433-F490 HydrophobicContact CE1-CD1 4.27Å; Y433-F490 AromaticContact CE1-CD2 3.41Å; Y433-F490 HydrophobicContact CE1-CD2 3.41Å; Y433-F490 VanDerWaalsContact CE1-CD2 3.41Å; Y433-F490 AromaticContact CE1-CE2 3.92Å; Y433-F490 HydrophobicContact CE1-CE2 3.92Å; Y433-F490 AromaticContact CE1-CG 3.59Å; Y433-F490 HydrophobicContact CE1-CG 3.59Å
434L98.8Very high98.2Very high0 Ų048.5 Ų48.50%028%0.279CS..BIsolated β-bridgetrans-87.4108.9168179.961.1000109.3A61 V64 A65 L424 S432 G436 Y437 G478 L510A61-L434 HydrophobicContact CB-CD2 4.2Å; V64-L434 HydrophobicContact CB-CD2 4.26Å; V64-L434 HydrophobicContact CG1-CD1 4.38Å; V64-L434 HydrophobicContact CG1-CD2 4.07Å; V64-L434 HydrophobicContact CG1-CG 4Å; A65-L434 HydrophobicContact CB-CD1 4.13Å; A65-L434 HydrophobicContact CB-CD2 4.28Å; L424-L434 HydrophobicContact CD2-CB 4.18Å; L424-L434 HydrophobicContact CD2-CD2 3.91Å; S432-L434 PolarHBondContact OG-N 3.24Å; S432-L434 PolarHBondContact OG-O 3.06Å; L434-G436 PolarHBondContact O-N 3.49Å; L434-Y437 HydrophobicContact CD2-CD2 4.5Å; L434-Y437 HydrophobicContact CD2-CG 4.17Å; L434-Y437 WeakPolarHBondContact O-CB 3.29Å; L434-Y437 PolarHBondContact O-N 3.31Å; L434-Y437 VanDerWaalsContact O-N 3.11Å; L434-G478 WeakPolarHBondContact CD1-O 3.37Å; L434-L510 HydrophobicContact CD1-CD2 3.9Å; L434-L510 HydrophobicContact CD2-CD2 4.4Å
435V98.7Very high98.2Very high3 Ų348 Ų482%0.01828%0.277CS..THydrogen-bonded Turntrans-64.7126.8-174.7174.90000110.6Y437 Y441 P442 V445 V475 A476 G478 A479 V481V435-Y437 VanDerWaalsContact C-N 3.34Å; V435-Y441 HydrophobicContact CG1-CD2 4.14Å; V435-Y441 HydrophobicContact CG1-CE2 4.43Å; V435-P442 HydrophobicContact CG2-CB 4.42Å; V435-V445 HydrophobicContact CG1-CG2 4.38Å; V435-V445 HydrophobicContact CG2-CG2 3.57Å; V435-V475 HydrophobicContact CG1-CG1 3.79Å; V435-A476 VanDerWaalsContact CG1-O 3.31Å; V435-A476 WeakPolarHBondContact CG1-O 3.48Å; V435-G478 PolarHBondContact O-N 3.12Å; V435-A479 HydrophobicContact CB-CB 4.05Å; V435-A479 WeakPolarHBondContact CB-O 3.11Å; V435-A479 HydrophobicContact CG2-CB 4.06Å; V435-A479 VanDerWaalsContact CG2-O 3.26Å; V435-A479 WeakPolarHBondContact CG2-O 3.42Å; V435-A479 PolarHBondContact N-O 2.84Å; V435-V481 HydrophobicContact CG2-CG1 3.88Å
436G97.9Very high98.2Very high18 Ų1848.3 Ų48.319%0.18627%0.273CS..THydrogen-bonded Turntrans86.1-1.8-177.100000115.1L434L434-G436 PolarHBondContact O-N 3.49Å
437Y98.5Very high98.2Very high31 Ų3143.1 Ų43.112%0.12225%0.245CC..SBendtrans-96.4135.4171.8-176.4-92.3000111.8K57 D60 A61 V64 L424 S432 L434 V435K57-Y437 WeakPolarHBondContact CG-OH 3.42Å; K57-Y437 PolarHBondContact O-OH 3.42Å; D60-Y437 HydrophobicContact CB-CE2 4.18Å; A61-Y437 VanDerWaalsContact CA-CE2 3.49Å; A61-Y437 HydrophobicContact CB-CD2 3.84Å; A61-Y437 HydrophobicContact CB-CE2 3.52Å; V64-Y437 HydrophobicContact CG2-CD2 4.37Å; L424-Y437 HydrophobicContact CB-CD1 4.28Å; L424-Y437 HydrophobicContact CB-CE1 3.87Å; L424-Y437 HydrophobicContact CD1-CE1 4.29Å; L424-Y437 HydrophobicContact CD2-CD1 3.67Å; L424-Y437 HydrophobicContact CD2-CE1 3.76Å; L424-Y437 HydrophobicContact CD2-CG 4.15Å; L424-Y437 HydrophobicContact CG-CD1 4.48Å; L424-Y437 HydrophobicContact CG-CE1 4.17Å; S432-Y437 WeakPolarHBondContact CB-O 3.41Å; S432-Y437 PolarHBondContact OG-O 3.44Å; L434-Y437 HydrophobicContact CD2-CD2 4.5Å; L434-Y437 HydrophobicContact CD2-CG 4.17Å; L434-Y437 WeakPolarHBondContact O-CB 3.29Å; L434-Y437 PolarHBondContact O-N 3.31Å; L434-Y437 VanDerWaalsContact O-N 3.11Å; V435-Y437 VanDerWaalsContact C-N 3.34Å
438G97.2Very high98.1Very high52 Ų5242.8 Ų42.854%0.53624%0.243SC..SBendtrans72.9-171.3-178.100000113.5
439S96.2Very high98Very high132 Ų13239.1 Ų39.192%0.92322%0.219SC*.SBendtrans-89.9-13.1-177.456.50000114.2
440S98.1Very high98Very high58 Ų5835.1 Ų35.141%0.40620%0.199SC..  trans-140.5119-178.9-1680000109.7L431 S432L431-S440 WeakPolarHBondContact CD1-OG 3.4Å; S432-S440 WeakPolarHBondContact CB-O 3.45Å; S432-S440 PolarHBondContact N-O 2.86Å
441Y98.4Very high98.1Very high64 Ų6427 Ų2725%0.25116%0.164SC..  trans-151162.117953-100000109.9S432 V435 Q443S432-Y441 VanDerWaalsContact O-CA 3.31Å; S432-Y441 WeakPolarHBondContact O-CA 3.08Å; S432-Y441 WeakPolarHBondContact O-CB 3.5Å; V435-Y441 HydrophobicContact CG1-CD2 4.14Å; V435-Y441 HydrophobicContact CG1-CE2 4.43Å; Y441-Q443 PolarHBondContact O-N 3.24Å
442P98.2Very high98Very high1 Ų126 Ų261%0.00616%0.159CC..  trans-53.8129.9177-27.433.3000112.9L431 S432 V435 V445 V481 F490 D492L431-P442 HydrophobicContact CD2-CG 4.21Å; S432-P442 WeakPolarHBondContact O-CD 3.39Å; V435-P442 HydrophobicContact CG2-CB 4.42Å; P442-V445 HydrophobicContact CB-CG2 4.28Å; P442-V481 HydrophobicContact CB-CG1 4.09Å; P442-V481 HydrophobicContact CG-CG1 3.97Å; P442-V481 HydrophobicContact CG-CG2 4.02Å; P442-F490 HydrophobicContact CB-CE1 4.02Å; P442-F490 HydrophobicContact CB-CZ 4.14Å; P442-F490 HydrophobicContact CG-CE1 3.66Å; P442-F490 HydrophobicContact CG-CZ 3.68Å; P442-D492 WeakPolarHBondContact CB-OD1 3.42Å
443Q98.4Very high98Very high105 Ų10527.3 Ų27.349%0.49117%0.167SC..SBendtrans-105.9-11.5-179.7-66.2-174.35300112.6Y441 P471 N472 D492Y441-Q443 PolarHBondContact O-N 3.24Å; Q443-P471 HydrophobicContact CB-CB 4.05Å; Q443-P471 HydrophobicContact CB-CG 4.39Å; Q443-P471 VanDerWaalsContact OE1-CG 3.29Å; Q443-N472 WeakPolarHBondContact O-CB 3.26Å; Q443-N472 PolarHBondContact O-N 3.28Å; Q443-D492 PolarHBondContact N-OD1 3.01Å; Q443-D492 PolarHBondContact N-OD2 2.94Å
444Q98.3Very high97.8Very high32 Ų3229.3 Ų29.315%0.1518%0.184CC..SBendtrans-121.549-177.5-66.7-179.576.500111.1H446 S468 T469 D492 S493 R494Q444-H446 PolarHBondContact O-N 3.18Å; Q444-S468 PolarHBondContact OE1-O 3.07Å; Q444-T469 PolarHBondContact OE1-O 3.33Å; Q444-D492 WeakPolarHBondContact CA-OD1 3.16Å; Q444-D492 PolarHBondContact N-OD1 3.38Å; Q444-D492 PolarHBondContact N-OD2 3.31Å; Q444-D492 PolarHBondContact NE2-O 2.9Å; Q444-D492 VanDerWaalsContact NE2-O 3.08Å; Q444-S493 CarbonylContact O-C 3.47Å; Q444-R494 HydrophobicContact CB-CG 4.12Å; Q444-R494 WeakPolarHBondContact O-CA 3.39Å; Q444-R494 WeakPolarHBondContact O-CG 3.48Å; Q444-R494 PolarHBondContact O-N 2.92Å
445V98.2Very high97.6Very high3 Ų335.9 Ų35.92%0.01822%0.219CC..  trans-57.6130.8174.8-178.70000110V435 P442 H447 N472 V481 R494 T500V435-V445 HydrophobicContact CG1-CG2 4.38Å; V435-V445 HydrophobicContact CG2-CG2 3.57Å; P442-V445 HydrophobicContact CB-CG2 4.28Å; V445-H447 VanDerWaalsContact C-N 3.28Å; V445-H447 HydrophobicContact CG1-CB 3.99Å; V445-H447 PolarHBondContact O-N 2.98Å; V445-N472 PolarHBondContact N-ND2 3.41Å; V445-N472 PolarHBondContact O-ND2 2.88Å; V445-V481 HydrophobicContact CG1-CG1 4.47Å; V445-V481 HydrophobicContact CG2-CG1 4.04Å; V445-R494 WeakPolarHBondContact O-CG 3.43Å; V445-T500 VanDerWaalsContact CG1-O 3.26Å; V445-T500 WeakPolarHBondContact CG1-O 3.32Å
446H98.4Very high97.4Very high25 Ų2536.4 Ų36.412%0.11622%0.223CC..BIsolated β-bridgetrans-68.586.1172.3-174.398.4000109.3G108 W179 Q444 R494 A497 T500 E501G108-H446 WeakPolarHBondContact CA-O 3.12Å; W179-H446 AromaticContact CH2-CE1 3.62Å; W179-H446 AromaticContact CH2-ND1 3.97Å; W179-H446 AromaticContact CH2-NE2 3.62Å; W179-H446 AromaticContact CZ3-CE1 3.61Å; W179-H446 AromaticContact CZ3-NE2 3.56Å; Q444-H446 PolarHBondContact O-N 3.18Å; H446-R494 PolarHBondContact ND1-O 3.41Å; H446-A497 HydrophobicContact CB-CB 4.35Å; H446-T500 PolarHBondContact N-O 2.88Å; H446-T500 VanDerWaalsContact N-O 3.08Å; H446-E501 HydrophobicContact CB-CB 4.05Å; H446-E501 IonicContact CD2-OE1 2.61Å
447H98.3Very high96.9Very high11 Ų1145 Ų455%0.05126%0.256CS..  trans-153117.5-179.1-179-56.5000109.9V71 Q72 V445 G449 A450 S451V71-H447 WeakPolarHBondContact CG1-NE2 3.43Å; Q72-H447 PolarHBondContact OE1-CD2 3.31Å; Q72-H447 PolarHBondContact OE1-NE2 3.5Å; V445-H447 VanDerWaalsContact C-N 3.28Å; V445-H447 HydrophobicContact CG1-CB 3.99Å; V445-H447 PolarHBondContact O-N 2.98Å; H447-G449 PolarHBondContact ND1-N 3.14Å; H447-G449 PolarHBondContact O-N 3.31Å; H447-A450 HydrophobicContact CB-CB 3.86Å; H447-A450 PolarHBondContact ND1-N 2.85Å; H447-A450 VanDerWaalsContact ND1-N 3.16Å; H447-A450 WeakPolarHBondContact O-CB 3.37Å; H447-A450 PolarHBondContact O-N 2.99Å; H447-S451 WeakPolarHBondContact O-CB 3.15Å; H447-S451 PolarHBondContact O-N 3.38Å; H447-S451 PolarHBondContact O-OG 3.42Å
448R97.1Very high96.6Very high6 Ų644.6 Ų44.62%0.02326%0.257CS..Hα-helixtrans-52.8-56.3-173.8-80.6176.4-175.275.1-16.4113.4G108 H110 D175 C178 W179 E180 A450 S451 I452G108-R448 WeakPolarHBondContact O-CG 3.39Å; G108-R448 PolarHBondContact O-N 2.91Å; G108-R448 VanDerWaalsContact O-N 3.14Å; G108-R448 PolarHBondContact O-NH1 3.01Å; H110-R448 WeakPolarHBondContact CE1-CD 3.41Å; D175-R448 PolarHBondContact O-NH2 2.81Å; D175-R448 IonicContact OD1-CZ 3.55Å; D175-R448 IonicContact OD1-NE 2.94Å; D175-R448 IonicContact OD1-NH2 3.93Å; D175-R448 PolarHBondContact OD1-NH2 3.35Å; C178-R448 PolarHBondContact O-NE 3.07Å; W179-R448 HydrophobicContact CD2-CG 3.76Å; W179-R448 HydrophobicContact CE3-CG 3.69Å; W179-R448 HydrophobicContact CG-CG 4.45Å; W179-R448 HydrophobicContact CH2-CG 3.86Å; W179-R448 HydrophobicContact CZ2-CG 3.93Å; W179-R448 HydrophobicContact CZ3-CG 3.74Å; E180-R448 WeakPolarHBondContact O-CB 3.44Å; R448-A450 VanDerWaalsContact C-N 3.26Å; R448-A450 PolarHBondContact O-N 2.92Å; R448-S451 PolarHBondContact O-N 2.85Å; R448-S451 PolarHBondContact O-OG 3.46Å; R448-I452 WeakPolarHBondContact O-CG1 3.25Å; R448-I452 PolarHBondContact O-N 2.98Å
449G96.8Very high96.2Very high1 Ų143.7 Ų43.71%0.0125%0.247CC..Hα-helixtrans-61.6-27.7178.100000115H447 N474H447-G449 PolarHBondContact ND1-N 3.14Å; H447-G449 PolarHBondContact O-N 3.31Å; G449-N474 PolarHBondContact O-ND2 3.36Å
450A98Very high96Very high0 Ų039.2 Ų39.20%022%0.215CC..Hα-helixtrans-78.9-41.1-179.400000111.2H447 R448 N472 P473 N474 A476H447-A450 HydrophobicContact CB-CB 3.86Å; H447-A450 PolarHBondContact ND1-N 2.85Å; H447-A450 VanDerWaalsContact ND1-N 3.16Å; H447-A450 WeakPolarHBondContact O-CB 3.37Å; H447-A450 PolarHBondContact O-N 2.99Å; R448-A450 VanDerWaalsContact C-N 3.26Å; R448-A450 PolarHBondContact O-N 2.92Å; A450-N472 HydrophobicContact CB-CB 4.4Å; A450-N472 WeakPolarHBondContact O-CB 3.45Å; A450-P473 VanDerWaalsContact O-CD 3.24Å; A450-P473 WeakPolarHBondContact O-CD 3.16Å; A450-N474 WeakPolarHBondContact CB-O 3.1Å; A450-N474 PolarHBondContact O-N 3.45Å; A450-N474 VanDerWaalsContact O-N 3.1Å; A450-A476 HydrophobicContact CB-CB 4.04Å
451S98.1Very high95.8Very high1 Ų144.5 Ų44.51%0.00723%0.231CC..Hα-helixtrans-75.1-24-174.770.40000114.8W179 H447 R448 N472 P473 R494W179-S451 WeakPolarHBondContact CZ2-OG 3.44Å; W179-S451 PolarHBondContact NE1-OG 2.86Å; H447-S451 WeakPolarHBondContact O-CB 3.15Å; H447-S451 PolarHBondContact O-N 3.38Å; H447-S451 PolarHBondContact O-OG 3.42Å; R448-S451 PolarHBondContact O-N 2.85Å; R448-S451 PolarHBondContact O-OG 3.46Å; S451-N472 WeakPolarHBondContact CA-OD1 3.49Å; S451-P473 WeakPolarHBondContact O-CD 3.39Å; S451-P473 WeakPolarHBondContact O-CG 3.04Å; S451-R494 VanDerWaalsContact CB-CD 3.47Å
452I98Very high95.6Very high0 Ų041.5 Ų41.50%022%0.219CC..SBendtrans-103128.9-174.9-58.8168.1000109.6E180 R181 R448 A456 T458 Y465 N474E180-I452 VanDerWaalsContact C-CD1 3.42Å; R181-I452 HydrophobicContact CG-CB 3.81Å; R181-I452 HydrophobicContact CG-CD1 4.05Å; R181-I452 HydrophobicContact CG-CG2 3.73Å; R448-I452 WeakPolarHBondContact O-CG1 3.25Å; R448-I452 PolarHBondContact O-N 2.98Å; I452-A456 HydrophobicContact CG2-CB 3.8Å; I452-T458 HydrophobicContact CG2-CG2 3.93Å; I452-Y465 HydrophobicContact CB-CD2 4.47Å; I452-Y465 HydrophobicContact CG1-CD2 3.97Å; I452-Y465 HydrophobicContact CG1-CG 4.08Å; I452-Y465 HydrophobicContact CG2-CD2 4.23Å; I452-Y465 HydrophobicContact CG2-CE2 4.25Å; I452-N474 PolarHBondContact O-ND2 3.29Å
453P97.3Very high95.6Very high30 Ų3044.4 Ų44.420%0.19523%0.232CC..  trans-54.2142175.7-2533.3000112.7D455 A456 Y465 P473P453-D455 WeakPolarHBondContact CB-OD1 3.48Å; P453-D455 PolarHBondContact O-N 2.92Å; P453-A456 HydrophobicContact CB-CB 4.04Å; P453-A456 HydrophobicContact CG-CB 4.3Å; P453-A456 WeakPolarHBondContact O-CB 3.29Å; P453-A456 PolarHBondContact O-N 3.05Å; P453-Y465 HydrophobicContact CG-CE1 3.79Å; P453-P473 HydrophobicContact CB-CG 4.45Å; P453-P473 HydrophobicContact CG-CB 4.29Å; P453-P473 HydrophobicContact CG-CG 3.98Å
454A95.2Very high95.5Very high42 Ų4244.6 Ų44.635%0.34723%0.233SC..THydrogen-bonded Turntrans-65.2-8.9-173.800000115W84 R181W84-A454 HydrophobicContact CB-CB 3.81Å; R181-A454 PolarHBondContact NH1-O 3.47Å; R181-A454 PolarHBondContact NH2-O 3.3Å; R181-A454 VanDerWaalsContact NH2-O 3.11Å
455D93.6Very high95.5Very high138 Ų13846.1 Ų46.174%0.73824%0.238SC*.THydrogen-bonded Turntrans-111.7-6.5175.365.2-24.4000113.1P453P453-D455 WeakPolarHBondContact CB-OD1 3.48Å; P453-D455 PolarHBondContact O-N 2.92Å
456A94.3Very high95.5Very high14 Ų1446.9 Ų46.912%0.11624%0.241CC..  trans-70.1138.7-178.600000111.6I452 P453 T458 Y465I452-A456 HydrophobicContact CG2-CB 3.8Å; P453-A456 HydrophobicContact CB-CB 4.04Å; P453-A456 HydrophobicContact CG-CB 4.3Å; P453-A456 WeakPolarHBondContact O-CB 3.29Å; P453-A456 PolarHBondContact O-N 3.05Å; A456-T458 HydrophobicContact CB-CG2 4.47Å; A456-Y465 HydrophobicContact CB-CE2 4.47Å
457K88.8Confident95.5Very high200 Ų20050.7 Ų50.787%0.8726%0.259SS*.  trans-111.385.3174.3-65-176.4-179.6-178.30109.2
458T91.7Very high95.4Very high22 Ų2252 Ų5214%0.13527%0.27CS..  trans-83.3-30.4-177.753.60000112.9I452 A456 K461 Y465I452-T458 HydrophobicContact CG2-CG2 3.93Å; A456-T458 HydrophobicContact CB-CG2 4.47Å; T458-K461 PolarHBondContact O-N 3.33Å; T458-Y465 HydrophobicContact CG2-CD2 3.75Å; T458-Y465 HydrophobicContact CG2-CE2 3.41Å; T458-Y465 VanDerWaalsContact CG2-CE2 3.41Å
459G90Very high95.4Very high33 Ų3357.6 Ų57.634%0.3430%0.304SS..G310 helixtrans47.3-150.3-153.800000110.1E180 K461E180-G459 VanDerWaalsContact CB-O 3.27Å; E180-G459 WeakPolarHBondContact CB-O 3.29Å; G459-K461 PolarHBondContact O-N 3.35Å
460C91.7Very high95.5Very high38 Ų3860.7 Ų60.726%0.25733%0.326SS..G310 helixtrans-73.418.8-178.6-151.30000116.1C178C178-C460 WeakPolarHBondContact CA-SG 3.34Å; C178-C460 HydrophobicContact CB-CB 4.34Å; C178-C460 WeakPolarHBondContact CB-SG 3.41Å; C178-C460 WeakPolarHBondContact SG-CA 3.47Å; C178-C460 WeakPolarHBondContact SG-CB 3.45Å; C178-C460 CovalentContact SG-SG 2.03Å; C178-C460 PolarHBondContact SG-SG 3.34Å
461K92.3Very high95.5Very high169 Ų16964 Ų6474%0.73535%0.348SS*.G310 helixtrans-122.817.6-172.7-63.1-177.8-179.2178.10113.6T458 G459 F463 Q464T458-K461 PolarHBondContact O-N 3.33Å; G459-K461 PolarHBondContact O-N 3.35Å; K461-F463 PolarHBondContact O-N 3.15Å; K461-Q464 PolarHBondContact O-OE1 3.27Å
462G95.7Very high95.5Very high0 Ų064.9 Ų64.90%035%0.352CS..THydrogen-bonded Turntrans-73.713.7-174.800000116.1W179 Q464 Y465W179-G462 WeakPolarHBondContact O-CA 3.37Å; W179-G462 PolarHBondContact O-N 3.17Å; G462-Q464 PolarHBondContact O-N 3.08Å; G462-Y465 WeakPolarHBondContact O-CB 3.31Å; G462-Y465 WeakPolarHBondContact O-CD2 3.46Å; G462-Y465 PolarHBondContact O-N 3.12Å
463F97.5Very high95.6Very high63 Ų6368.2 Ų68.228%0.27637%0.374SS..THydrogen-bonded Turntrans-59.3-21.1-174.2-72.6-82.2000114.4N177 W179 K461 Y465 L466 H467N177-F463 WeakPolarHBondContact O-CE2 3.5Å; N177-F463 WeakPolarHBondContact O-CZ 3.47Å; W179-F463 HydrophobicContact CB-CD1 3.97Å; W179-F463 HydrophobicContact CB-CD2 4.19Å; W179-F463 HydrophobicContact CB-CE1 4.04Å; W179-F463 HydrophobicContact CB-CE2 4.26Å; W179-F463 HydrophobicContact CB-CG 4.05Å; W179-F463 HydrophobicContact CB-CZ 4.19Å; K461-F463 PolarHBondContact O-N 3.15Å; F463-Y465 PolarHBondContact O-N 3.06Å; F463-L466 HydrophobicContact CD1-CD2 3.88Å; F463-L466 HydrophobicContact CE1-CD2 4.29Å; F463-L466 WeakPolarHBondContact O-CA 3.41Å; F463-L466 WeakPolarHBondContact O-CB 3.39Å; F463-L466 PolarHBondContact O-N 3.22Å; F463-H467 PolarHBondContact O-CD2 3.07Å; F463-H467 PolarHBondContact O-N 3.13Å; F463-H467 VanDerWaalsContact O-N 3.09Å
464Q97.3Very high95.6Very high109 Ų10967.6 Ų67.651%0.50937%0.369SS..Hα-helixtrans-57.9-29.4169.269.3-80.52.200112.8K461 G462 S468K461-Q464 PolarHBondContact O-OE1 3.27Å; G462-Q464 PolarHBondContact O-N 3.08Å; Q464-S468 VanDerWaalsContact O-CB 3.29Å; Q464-S468 WeakPolarHBondContact O-CB 3.42Å; Q464-S468 PolarHBondContact O-N 3.37Å; Q464-S468 VanDerWaalsContact O-N 3.1Å
465Y97.7Very high95.7Very high64 Ų6468.2 Ų68.225%0.25137%0.368SS..Hα-helixtrans-81.7-18174.4-61.1-71.7000112.9I452 P453 A456 T458 G462 F463 R494I452-Y465 HydrophobicContact CB-CD2 4.47Å; I452-Y465 HydrophobicContact CG1-CD2 3.97Å; I452-Y465 HydrophobicContact CG1-CG 4.08Å; I452-Y465 HydrophobicContact CG2-CD2 4.23Å; I452-Y465 HydrophobicContact CG2-CE2 4.25Å; P453-Y465 HydrophobicContact CG-CE1 3.79Å; A456-Y465 HydrophobicContact CB-CE2 4.47Å; T458-Y465 HydrophobicContact CG2-CD2 3.75Å; T458-Y465 HydrophobicContact CG2-CE2 3.41Å; T458-Y465 VanDerWaalsContact CG2-CE2 3.41Å; G462-Y465 WeakPolarHBondContact O-CB 3.31Å; G462-Y465 WeakPolarHBondContact O-CD2 3.46Å; G462-Y465 PolarHBondContact O-N 3.12Å; F463-Y465 PolarHBondContact O-N 3.06Å; Y465-R494 PolarHBondContact O-NE 3.35Å; Y465-R494 VanDerWaalsContact O-NE 3.15Å; Y465-R494 PolarHBondContact O-NH1 2.92Å
466L97.6Very high95.9Very high18 Ų1861.8 Ų61.89%0.09433%0.334CS..Hα-helixtrans-75.5-40.1169.6172.962.1000111.1W179 F463 R494W179-L466 HydrophobicContact CD2-CB 3.87Å; W179-L466 HydrophobicContact CE3-CB 4.29Å; W179-L466 HydrophobicContact CE3-CD1 4.27Å; W179-L466 HydrophobicContact CE3-CD2 4.19Å; W179-L466 HydrophobicContact CE3-CG 4.48Å; W179-L466 HydrophobicContact CG-CB 4.21Å; W179-L466 HydrophobicContact CH2-CD1 3.6Å; W179-L466 HydrophobicContact CZ2-CB 4.21Å; W179-L466 HydrophobicContact CZ2-CD1 3.86Å; W179-L466 HydrophobicContact CZ3-CD1 3.83Å; W179-L466 HydrophobicContact CZ3-CD2 4.37Å; F463-L466 HydrophobicContact CD1-CD2 3.88Å; F463-L466 HydrophobicContact CE1-CD2 4.29Å; F463-L466 WeakPolarHBondContact O-CA 3.41Å; F463-L466 WeakPolarHBondContact O-CB 3.39Å; F463-L466 PolarHBondContact O-N 3.22Å; L466-R494 HydrophobicContact CD1-CB 4.08Å; L466-R494 VanDerWaalsContact O-CB 3.26Å; L466-R494 WeakPolarHBondContact O-CB 3.26Å; L466-R494 PolarHBondContact O-NH1 3.39Å
467H98Very high96.1Very high105 Ų10563.4 Ų63.449%0.48634%0.34SS..Hα-helixtrans-96.6-3.6-173.9-53.8-52.3000114.5F463 D495F463-H467 PolarHBondContact O-CD2 3.07Å; F463-H467 PolarHBondContact O-N 3.13Å; F463-H467 VanDerWaalsContact O-N 3.09Å; H467-D495 IonicContact CE1-OD1 2.79Å; H467-D495 PolarHBondContact CE1-OD1 3.36Å; H467-D495 VanDerWaalsContact CE1-OD1 3.26Å; H467-D495 IonicContact CG-OD1 3.99Å; H467-D495 IonicContact ND1-OD1 3.32Å; H467-D495 PolarHBondContact ND1-OD1 3.39Å; H467-D495 IonicContact ND1-OD2 2.75Å
468S97.5Very high96.5Very high39 Ų3953.9 Ų53.927%0.27330%0.299SS..  trans-62.4142.5177.1167.80000110.9Q444 Q464 S470 R494Q444-S468 PolarHBondContact OE1-O 3.07Å; Q464-S468 VanDerWaalsContact O-CB 3.29Å; Q464-S468 WeakPolarHBondContact O-CB 3.42Å; Q464-S468 PolarHBondContact O-N 3.37Å; Q464-S468 VanDerWaalsContact O-N 3.1Å; S468-S470 VanDerWaalsContact C-N 3.33Å; S468-S470 WeakPolarHBondContact OG-CB 3.4Å; S468-S470 PolarHBondContact OG-N 3.21Å; S468-S470 VanDerWaalsContact OG-N 3.12Å; S468-R494 PolarHBondContact O-NH1 2.03Å; S468-R494 PolarHBondContact O-NH2 3.44Å
469T97.4Very high96.8Very high123 Ų12352.9 Ų52.976%0.75529%0.292SS*.  trans-89.90.3173.260.10000113.2Q444Q444-T469 PolarHBondContact OE1-O 3.33Å
470S98.2Very high97.2Very high67 Ų6751.3 Ų51.347%0.46928%0.276SS..SBendtrans-76150.5177.3-61.50000111.1S468 R494S468-S470 VanDerWaalsContact C-N 3.33Å; S468-S470 WeakPolarHBondContact OG-CB 3.4Å; S468-S470 PolarHBondContact OG-N 3.21Å; S468-S470 VanDerWaalsContact OG-N 3.12Å; S470-R494 PolarHBondContact O-NH2 3.07Å
471P98.4Very high97.6Very high70 Ų7049.5 Ų49.546%0.45526%0.264SS..PPolyproline II helixtrans-48.7148.4166.8-29.637.7000112.5Q443Q443-P471 HydrophobicContact CB-CB 4.05Å; Q443-P471 HydrophobicContact CB-CG 4.39Å; Q443-P471 VanDerWaalsContact OE1-CG 3.29Å
472N98.5Very high97.9Very high18 Ų1841.5 Ų41.510%0.09623%0.229CC..PPolyproline II helixtrans-57.2129171.9-78.1-6.6000109.5Q443 V445 A450 S451 N474 R494Q443-N472 WeakPolarHBondContact O-CB 3.26Å; Q443-N472 PolarHBondContact O-N 3.28Å; V445-N472 PolarHBondContact N-ND2 3.41Å; V445-N472 PolarHBondContact O-ND2 2.88Å; A450-N472 HydrophobicContact CB-CB 4.4Å; A450-N472 WeakPolarHBondContact O-CB 3.45Å; S451-N472 WeakPolarHBondContact CA-OD1 3.49Å; N472-N474 PolarHBondContact O-N 2.63Å; N472-R494 WeakPolarHBondContact OD1-CD 3.47Å; N472-R494 PolarHBondContact OD1-NE 3.41Å
473P98.2Very high98Very high70 Ų7041.5 Ų41.546%0.45523%0.229SC..SBendtrans-63.5-25.8178.426-35.3000112.4A450 S451 P453A450-P473 VanDerWaalsContact O-CD 3.24Å; A450-P473 WeakPolarHBondContact O-CD 3.16Å; S451-P473 WeakPolarHBondContact O-CD 3.39Å; S451-P473 WeakPolarHBondContact O-CG 3.04Å; P453-P473 HydrophobicContact CB-CG 4.45Å; P453-P473 HydrophobicContact CG-CB 4.29Å; P453-P473 HydrophobicContact CG-CG 3.98Å
474N98.2Very high98Very high17 Ų1738.5 Ų38.59%0.09122%0.216CC..SBendtrans-117.9128.6176.3-50.6-45.8000109.7W84 G449 A450 I452 N472 A476W84-N474 HydrophobicContact CB-CB 4.14Å; W84-N474 WeakPolarHBondContact CB-OD1 3.29Å; W84-N474 HydrophobicContact CD2-CB 3.53Å; W84-N474 HydrophobicContact CE3-CB 4.03Å; W84-N474 HydrophobicContact CG-CB 3.56Å; W84-N474 HydrophobicContact CZ2-CB 4.32Å; G449-N474 PolarHBondContact O-ND2 3.36Å; A450-N474 WeakPolarHBondContact CB-O 3.1Å; A450-N474 PolarHBondContact O-N 3.45Å; A450-N474 VanDerWaalsContact O-N 3.1Å; I452-N474 PolarHBondContact O-ND2 3.29Å; N472-N474 PolarHBondContact O-N 2.63Å; N474-A476 PolarHBondContact O-N 3.3Å
475V97.7Very high98.1Very high56 Ų5636.8 Ų36.834%0.33921%0.207SC..  trans-78.9119.5177.1-176.60000109.2W84 V435 M477W84-V475 WeakPolarHBondContact CZ2-O 3.35Å; W84-V475 PolarHBondContact NE1-O 3.32Å; V435-V475 HydrophobicContact CG1-CG1 3.79Å; V475-M477 HydrophobicContact CG1-CE 4.24Å; V475-M477 PolarHBondContact O-N 2.76Å
476A97.4Very high98Very high2 Ų239 Ų392%0.01722%0.22CC..  trans-72.369.7167.700000109.7V71 V435 A450 N474 G478 A479V71-A476 HydrophobicContact CG1-CB 4.43Å; V435-A476 VanDerWaalsContact CG1-O 3.31Å; V435-A476 WeakPolarHBondContact CG1-O 3.48Å; A450-A476 HydrophobicContact CB-CB 4.04Å; N474-A476 PolarHBondContact O-N 3.3Å; A476-G478 PolarHBondContact O-N 2.74Å; A476-A479 HydrophobicContact CB-CB 3.93Å; A476-A479 WeakPolarHBondContact O-CB 3.26Å; A476-A479 PolarHBondContact O-N 2.87Å
477M97.9Very high98.1Very high49 Ų4943 Ų4324%0.24124%0.242CC..THydrogen-bonded Turntrans-56129.9-174.2-173.563.868.800110.9V64 Q67 F68 V475 A479V64-M477 HydrophobicContact CG1-CG 4.41Å; V64-M477 HydrophobicContact CG1-SD 3.81Å; Q67-M477 CarbonylContact C-O 3.57Å; Q67-M477 HydrophobicContact CB-CB 4.26Å; Q67-M477 HydrophobicContact CB-CG 3.96Å; Q67-M477 HydrophobicContact CG-CG 4.35Å; Q67-M477 VanDerWaalsContact OE1-CG 3.26Å; F68-M477 WeakPolarHBondContact CA-O 3.48Å; F68-M477 PolarHBondContact N-O 2.86Å; V475-M477 HydrophobicContact CG1-CE 4.24Å; V475-M477 PolarHBondContact O-N 2.76Å; M477-A479 VanDerWaalsContact C-N 3.29Å; M477-A479 PolarHBondContact O-N 2.65Å
478G98.2Very high98.1Very high0 Ų038.6 Ų38.60%022%0.222CC..THydrogen-bonded Turntrans84.7-6.3-178.900000115.3V64 F68 L434 V435 A476 L480V64-G478 WeakPolarHBondContact O-CA 3.26Å; F68-G478 WeakPolarHBondContact CB-O 3.49Å; L434-G478 WeakPolarHBondContact CD1-O 3.37Å; V435-G478 PolarHBondContact O-N 3.12Å; A476-G478 PolarHBondContact O-N 2.74Å; G478-L480 PolarHBondContact O-N 3.12Å
479A98.3Very high98.1Very high0 Ų039.3 Ų39.30%022%0.224CC..  trans-62.5121.9-179.900000110.6F68 V435 A476 M477F68-A479 HydrophobicContact CD2-CB 3.52Å; F68-A479 HydrophobicContact CE2-CB 3.6Å; F68-A479 HydrophobicContact CG-CB 4.17Å; F68-A479 HydrophobicContact CZ-CB 4.29Å; V435-A479 HydrophobicContact CB-CB 4.05Å; V435-A479 WeakPolarHBondContact CB-O 3.11Å; V435-A479 HydrophobicContact CG2-CB 4.06Å; V435-A479 VanDerWaalsContact CG2-O 3.26Å; V435-A479 WeakPolarHBondContact CG2-O 3.42Å; V435-A479 PolarHBondContact N-O 2.84Å; A476-A479 HydrophobicContact CB-CB 3.93Å; A476-A479 WeakPolarHBondContact O-CB 3.26Å; A476-A479 PolarHBondContact O-N 2.87Å; M477-A479 VanDerWaalsContact C-N 3.29Å; M477-A479 PolarHBondContact O-N 2.65Å
480L98.7Very high98.2Very high0 Ų034 Ų340%019%0.191CC..BIsolated β-bridgetrans-88.1107166.7-177.963.4000108.7L375 I423 G478 S502 N506 L510L375-L480 HydrophobicContact CB-CD2 4.35Å; L375-L480 HydrophobicContact CB-CG 4.49Å; L375-L480 HydrophobicContact CD1-CD1 3.76Å; L375-L480 HydrophobicContact CD1-CG 4.37Å; I423-L480 HydrophobicContact CG2-CD1 3.68Å; G478-L480 PolarHBondContact O-N 3.12Å; L480-S502 VanDerWaalsContact O-CA 3.24Å; L480-S502 WeakPolarHBondContact O-CA 3.31Å; L480-S502 VanDerWaalsContact O-CB 3.28Å; L480-S502 WeakPolarHBondContact O-CB 3.14Å; L480-N506 HydrophobicContact CD2-CB 3.99Å; L480-N506 PolarHBondContact O-ND2 3.1Å; L480-N506 PolarHBondContact O-OD1 3.5Å; L480-L510 HydrophobicContact CB-CD2 4.24Å; L480-L510 HydrophobicContact CD1-CD2 4.16Å; L480-L510 HydrophobicContact CD2-CB 4.13Å; L480-L510 HydrophobicContact CD2-CD2 4.08Å; L480-L510 HydrophobicContact CG-CD2 4.39Å
481V98.6Very high98.2Very high0 Ų034.6 Ų34.60%019%0.191CC..BIsolated β-bridgetrans-63.8162.1177.8-60.50000111.5Y433 V435 P442 V445 G483 F490 Q499Y433-V481 HydrophobicContact CD1-CG2 3.8Å; Y433-V481 HydrophobicContact CG-CG2 4.3Å; Y433-V481 PolarHBondContact O-N 2.61Å; V435-V481 HydrophobicContact CG2-CG1 3.88Å; P442-V481 HydrophobicContact CB-CG1 4.09Å; P442-V481 HydrophobicContact CG-CG1 3.97Å; P442-V481 HydrophobicContact CG-CG2 4.02Å; V445-V481 HydrophobicContact CG1-CG1 4.47Å; V445-V481 HydrophobicContact CG2-CG1 4.04Å; V481-G483 VanDerWaalsContact C-N 3.26Å; V481-G483 PolarHBondContact O-N 3.02Å; V481-F490 HydrophobicContact CB-CE2 4.44Å; V481-F490 HydrophobicContact CB-CZ 4.34Å; V481-F490 HydrophobicContact CG2-CE2 3.68Å; V481-F490 HydrophobicContact CG2-CZ 3.77Å; V481-Q499 WeakPolarHBondContact CB-O 3.42Å
482G98.2Very high98.1Very high1 Ų133.4 Ų33.41%0.0118%0.181CC..  trans-57.6-34.3-179.600000114.7N373 S374 L375 Q499 E501N373-G482 CarbonylContact C-O 3.59Å; N373-G482 WeakPolarHBondContact CA-O 3.08Å; S374-G482 PolarHBondContact N-O 3.18Å; S374-G482 PolarHBondContact OG-O 3.28Å; L375-G482 PolarHBondContact N-O 3.36Å; G482-Q499 WeakPolarHBondContact CA-O 3.31Å; G482-Q499 PolarHBondContact N-O 3.24Å; G482-E501 PolarHBondContact N-O 2.77Å
483G98.2Very high98.1Very high0 Ų034.1 Ų34.10%019%0.187CC..  trans106.9-172.2168.200000117.1S374 V481 Q499S374-G483 WeakPolarHBondContact OG-CA 3.22Å; V481-G483 VanDerWaalsContact C-N 3.26Å; V481-G483 PolarHBondContact O-N 3.02Å; G483-Q499 PolarHBondContact N-O 3.27Å; G483-Q499 WeakPolarHBondContact O-CA 3.31Å; G483-Q499 WeakPolarHBondContact O-CB 3.37Å; G483-Q499 VanDerWaalsContact O-CG 3.24Å; G483-Q499 WeakPolarHBondContact O-CG 3.35Å; G483-Q499 PolarHBondContact O-NE2 3.49Å
484P98.4Very high98.1Very high0 Ų031 Ų310%017%0.166CC..  trans-76.2160.5-17031.8-35.8000113.7L366 W368 S374 Y422 Y433 T489 Q499L366-P484 HydrophobicContact CD2-CG 3.59Å; W368-P484 PolarHBondContact NE1-O 3.35Å; S374-P484 PolarHBondContact OG-O 3.37Å; Y422-P484 HydrophobicContact CE1-CG 4.04Å; Y433-P484 HydrophobicContact CE2-CG 4.31Å; P484-T489 WeakPolarHBondContact CA-O 3.2Å; P484-Q499 VanDerWaalsContact C-NE2 3.3Å; P484-Q499 VanDerWaalsContact CA-NE2 3.29Å
485F98.1Very high98Very high73 Ų7334.3 Ų34.332%0.3219%0.185SC..  trans-70.8170.2165.7-71.2-51.4000110.6N487 D488 T489 V498 Q499F485-N487 WeakPolarHBondContact CB-OD1 3.46Å; F485-N487 PolarHBondContact O-N 3.32Å; F485-D488 WeakPolarHBondContact O-CA 3.31Å; F485-D488 PolarHBondContact O-N 3.34Å; F485-T489 PolarHBondContact N-O 2.84Å; F485-V498 HydrophobicContact CE1-CG1 4.2Å; F485-Q499 HydrophobicContact CD1-CG 4.48Å; F485-Q499 HydrophobicContact CE1-CG 4.07Å; F485-Q499 VanDerWaalsContact CE2-CD 3.46Å; F485-Q499 HydrophobicContact CE2-CG 4.22Å; F485-Q499 HydrophobicContact CZ-CG 3.92Å
486Q97.6Very high98Very high110 Ų11033 Ų3351%0.51418%0.176SC..THydrogen-bonded Turntrans-56.9-25.9-177.1-166.8177.110.600113.9T362 W368 D488T362-Q486 WeakPolarHBondContact CA-O 3.4Å; T362-Q486 VanDerWaalsContact CB-O 3.28Å; T362-Q486 WeakPolarHBondContact CB-O 3.41Å; T362-Q486 WeakPolarHBondContact CG2-O 3.48Å; W368-Q486 HydrophobicContact CD2-CB 3.85Å; W368-Q486 HydrophobicContact CD2-CG 3.97Å; W368-Q486 HydrophobicContact CE3-CB 3.93Å; W368-Q486 HydrophobicContact CE3-CG 3.75Å; W368-Q486 HydrophobicContact CH2-CB 3.9Å; W368-Q486 HydrophobicContact CH2-CG 4.47Å; W368-Q486 HydrophobicContact CZ2-CB 3.78Å; W368-Q486 HydrophobicContact CZ3-CB 3.98Å; W368-Q486 HydrophobicContact CZ3-CG 4.03Å; Q486-D488 VanDerWaalsContact C-N 3.26Å; Q486-D488 PolarHBondContact O-N 2.89Å
487N97.9Very high97.9Very high104 Ų10433.7 Ų33.756%0.55618%0.181SC*.THydrogen-bonded Turntrans-89.119.3176.868.3-9.6000113.5F485 T489F485-N487 WeakPolarHBondContact CB-OD1 3.46Å; F485-N487 PolarHBondContact O-N 3.32Å; N487-T489 PolarHBondContact ND2-OG1 3.11Å; N487-T489 PolarHBondContact O-N 3.33Å; N487-T489 VanDerWaalsContact O-N 3.09Å; N487-T489 WeakPolarHBondContact OD1-CB 3.48Å; N487-T489 WeakPolarHBondContact OD1-CG2 3.42Å; N487-T489 PolarHBondContact OD1-N 2.94Å; N487-T489 VanDerWaalsContact OD1-N 3.17Å; N487-T489 PolarHBondContact OD1-OG1 2.93Å
488D98.5Very high97.9Very high12 Ų1233.4 Ų33.46%0.06418%0.182CC..SBendtrans66.32.2-178.5-55.1-84.9000115.3T362 G363 G364 Y422 P428 M429 F485 Q486T362-D488 VanDerWaalsContact CB-CG 3.48Å; T362-D488 WeakPolarHBondContact CB-OD1 3.39Å; T362-D488 WeakPolarHBondContact CB-OD2 3.22Å; T362-D488 PolarHBondContact OG1-OD1 3.26Å; G363-D488 WeakPolarHBondContact CA-OD2 3.48Å; G363-D488 PolarHBondContact N-OD2 3.44Å; G364-D488 WeakPolarHBondContact CA-OD1 3.01Å; G364-D488 PolarHBondContact N-OD1 2.75Å; G364-D488 PolarHBondContact N-OD2 3.37Å; Y422-D488 PolarHBondContact OH-OD1 3.2Å; P428-D488 HydrophobicContact CB-CB 3.94Å; P428-D488 HydrophobicContact CG-CB 3.66Å; M429-D488 VanDerWaalsContact CG-O 3.24Å; M429-D488 WeakPolarHBondContact CG-O 3.43Å; F485-D488 WeakPolarHBondContact O-CA 3.31Å; F485-D488 PolarHBondContact O-N 3.34Å; Q486-D488 VanDerWaalsContact C-N 3.26Å; Q486-D488 PolarHBondContact O-N 2.89Å
489T98.2Very high97.9Very high54 Ų5433.4 Ų33.433%0.33118%0.182SC..  trans-78.1142.7179.764.50000112.1P484 F485 N487 Q499P484-T489 WeakPolarHBondContact CA-O 3.2Å; F485-T489 PolarHBondContact N-O 2.84Å; N487-T489 PolarHBondContact ND2-OG1 3.11Å; N487-T489 PolarHBondContact O-N 3.33Å; N487-T489 VanDerWaalsContact O-N 3.09Å; N487-T489 WeakPolarHBondContact OD1-CB 3.48Å; N487-T489 WeakPolarHBondContact OD1-CG2 3.42Å; N487-T489 PolarHBondContact OD1-N 2.94Å; N487-T489 VanDerWaalsContact OD1-N 3.17Å; N487-T489 PolarHBondContact OD1-OG1 2.93Å; T489-Q499 PolarHBondContact O-NE2 3.5Å
490F98.5Very high97.9Very high12 Ų1233.4 Ų33.45%0.05318%0.182CC..  trans-130.2128.1176.4-175.5-93.1000110.4M429 L431 Y433 P442 V481 D492 Q499 T500M429-F490 HydrophobicContact CE-CB 4.44Å; M429-F490 HydrophobicContact CG-CB 4.28Å; L431-F490 HydrophobicContact CD2-CD1 3.58Å; L431-F490 HydrophobicContact CD2-CE1 4.02Å; L431-F490 HydrophobicContact CD2-CG 4.22Å; Y433-F490 AromaticContact CD1-CD2 3.96Å; Y433-F490 HydrophobicContact CD1-CD2 3.96Å; Y433-F490 AromaticContact CD1-CE2 3.99Å; Y433-F490 HydrophobicContact CD1-CE2 3.99Å; Y433-F490 HydrophobicContact CD1-CG 4.4Å; Y433-F490 HydrophobicContact CD1-CZ 4.49Å; Y433-F490 HydrophobicContact CE1-CB 3.85Å; Y433-F490 HydrophobicContact CE1-CD1 4.27Å; Y433-F490 AromaticContact CE1-CD2 3.41Å; Y433-F490 HydrophobicContact CE1-CD2 3.41Å; Y433-F490 VanDerWaalsContact CE1-CD2 3.41Å; Y433-F490 AromaticContact CE1-CE2 3.92Å; Y433-F490 HydrophobicContact CE1-CE2 3.92Å; Y433-F490 AromaticContact CE1-CG 3.59Å; Y433-F490 HydrophobicContact CE1-CG 3.59Å; P442-F490 HydrophobicContact CB-CE1 4.02Å; P442-F490 HydrophobicContact CB-CZ 4.14Å; P442-F490 HydrophobicContact CG-CE1 3.66Å; P442-F490 HydrophobicContact CG-CZ 3.68Å; V481-F490 HydrophobicContact CB-CE2 4.44Å; V481-F490 HydrophobicContact CB-CZ 4.34Å; V481-F490 HydrophobicContact CG2-CE2 3.68Å; V481-F490 HydrophobicContact CG2-CZ 3.77Å; F490-D492 HydrophobicContact CD1-CB 4.27Å; F490-D492 HydrophobicContact CE1-CB 3.84Å; F490-Q499 HydrophobicContact CD2-CB 4.05Å; F490-Q499 HydrophobicContact CE2-CB 3.81Å; F490-Q499 VanDerWaalsContact CE2-O 3.29Å; F490-Q499 WeakPolarHBondContact CE2-O 2.9Å; F490-T500 HydrophobicContact CE1-CG2 4.33Å; F490-T500 HydrophobicContact CZ-CG2 3.87Å
491V98Very high97.8Very high78 Ų7834.8 Ų34.847%0.47319%0.189SC..  trans-110104.3177.1-177.40000109.1S493 N496 T500V491-S493 VanDerWaalsContact C-N 3.31Å; V491-S493 PolarHBondContact O-N 2.98Å; V491-N496 PolarHBondContact O-ND2 2.85Å; V491-T500 WeakPolarHBondContact O-CG2 3.27Å
492D97.9Very high97.7Very high45 Ų4534.8 Ų34.824%0.24119%0.189CC..  trans-74.280.5178-17329.8000111.1P442 Q443 Q444 F490P442-D492 WeakPolarHBondContact CB-OD1 3.42Å; Q443-D492 PolarHBondContact N-OD1 3.01Å; Q443-D492 PolarHBondContact N-OD2 2.94Å; Q444-D492 WeakPolarHBondContact CA-OD1 3.16Å; Q444-D492 PolarHBondContact N-OD1 3.38Å; Q444-D492 PolarHBondContact N-OD2 3.31Å; Q444-D492 PolarHBondContact NE2-O 2.9Å; Q444-D492 VanDerWaalsContact NE2-O 3.08Å; F490-D492 HydrophobicContact CD1-CB 4.27Å; F490-D492 HydrophobicContact CE1-CB 3.84Å
493S98.1Very high97.7Very high33 Ų3334.8 Ų34.823%0.23119%0.189CC..  trans-138134.8176.7172.50000109.6Q444 V491 D495 N496 T500Q444-S493 CarbonylContact O-C 3.47Å; V491-S493 VanDerWaalsContact C-N 3.31Å; V491-S493 PolarHBondContact O-N 2.98Å; S493-D495 PolarHBondContact O-N 3.41Å; S493-D495 PolarHBondContact OG-N 2.87Å; S493-N496 WeakPolarHBondContact O-CB 3.4Å; S493-N496 PolarHBondContact O-N 3.23Å; S493-T500 WeakPolarHBondContact O-CG2 3.26Å; S493-T500 PolarHBondContact O-OG1 3.06Å
494R97.5Very high97.6Very high4 Ų435 Ų352%0.01519%0.19CC..THydrogen-bonded Turntrans-61.6-31.4175.9-78.4-170.2-108.178.26112.6Q444 V445 H446 S451 Y465 L466 S468 S470 N472 N496Q444-R494 HydrophobicContact CB-CG 4.12Å; Q444-R494 WeakPolarHBondContact O-CA 3.39Å; Q444-R494 WeakPolarHBondContact O-CG 3.48Å; Q444-R494 PolarHBondContact O-N 2.92Å; V445-R494 WeakPolarHBondContact O-CG 3.43Å; H446-R494 PolarHBondContact ND1-O 3.41Å; S451-R494 VanDerWaalsContact CB-CD 3.47Å; Y465-R494 PolarHBondContact O-NE 3.35Å; Y465-R494 VanDerWaalsContact O-NE 3.15Å; Y465-R494 PolarHBondContact O-NH1 2.92Å; L466-R494 HydrophobicContact CD1-CB 4.08Å; L466-R494 VanDerWaalsContact O-CB 3.26Å; L466-R494 WeakPolarHBondContact O-CB 3.26Å; L466-R494 PolarHBondContact O-NH1 3.39Å; S468-R494 PolarHBondContact O-NH1 2.03Å; S468-R494 PolarHBondContact O-NH2 3.44Å; S470-R494 PolarHBondContact O-NH2 3.07Å; N472-R494 WeakPolarHBondContact OD1-CD 3.47Å; N472-R494 PolarHBondContact OD1-NE 3.41Å; R494-N496 PolarHBondContact O-N 3.31Å
495D96.9Very high97.6Very high88 Ų8835.4 Ų35.447%0.47119%0.191SC..THydrogen-bonded Turntrans-67.8-19.5176.2-67.9-67.8000112.5H467 S493 A497H467-D495 IonicContact CE1-OD1 2.79Å; H467-D495 PolarHBondContact CE1-OD1 3.36Å; H467-D495 VanDerWaalsContact CE1-OD1 3.26Å; H467-D495 IonicContact CG-OD1 3.99Å; H467-D495 IonicContact ND1-OD1 3.32Å; H467-D495 PolarHBondContact ND1-OD1 3.39Å; H467-D495 IonicContact ND1-OD2 2.75Å; S493-D495 PolarHBondContact O-N 3.41Å; S493-D495 PolarHBondContact OG-N 2.87Å; D495-A497 VanDerWaalsContact C-N 3.33Å; D495-A497 PolarHBondContact O-N 3.41Å
496N97Very high97.5Very high28 Ų2832 Ų3215%0.1518%0.176CC..  trans-9160179.1-175.423000112.1V491 S493 R494 V498 Q499 T500V491-N496 PolarHBondContact O-ND2 2.85Å; S493-N496 WeakPolarHBondContact O-CB 3.4Å; S493-N496 PolarHBondContact O-N 3.23Å; R494-N496 PolarHBondContact O-N 3.31Å; N496-V498 PolarHBondContact O-N 2.93Å; N496-V498 VanDerWaalsContact O-N 3.1Å; N496-Q499 WeakPolarHBondContact ND2-CB 3.44Å; N496-Q499 WeakPolarHBondContact ND2-CG 3.47Å; N496-Q499 PolarHBondContact ND2-OE1 3.34Å; N496-Q499 PolarHBondContact O-N 3.31Å; N496-T500 PolarHBondContact O-N 3.23Å; N496-T500 PolarHBondContact O-OG1 3.16Å
497A96.1Very high97.6Very high17 Ų1726.7 Ų26.714%0.1415%0.152CC..Hα-helixtrans-52.9-34.7-178.100000113.1W372 H446 D495 Q499 T500 E501W372-A497 HydrophobicContact CH2-CB 4.09Å; H446-A497 HydrophobicContact CB-CB 4.35Å; D495-A497 VanDerWaalsContact C-N 3.33Å; D495-A497 PolarHBondContact O-N 3.41Å; A497-Q499 PolarHBondContact O-N 3.04Å; A497-T500 PolarHBondContact O-N 2.81Å; A497-E501 HydrophobicContact CB-CB 4.24Å; A497-E501 WeakPolarHBondContact O-CB 3.33Å; A497-E501 PolarHBondContact O-N 3.34Å
498V96.8Very high97.6Very high43 Ų4321.8 Ų21.826%0.26113%0.125SC..Hα-helixtrans-47.1-41.7176.3-178.50000112.7G371 W372 N373 F485 N496G371-V498 WeakPolarHBondContact O-CG1 3.49Å; W372-V498 HydrophobicContact CE3-CB 4.12Å; W372-V498 HydrophobicContact CE3-CG1 4.34Å; W372-V498 HydrophobicContact CE3-CG2 3.65Å; W372-V498 HydrophobicContact CZ3-CB 4.37Å; W372-V498 HydrophobicContact CZ3-CG2 3.66Å; N373-V498 PolarHBondContact N-O 3.26Å; F485-V498 HydrophobicContact CE1-CG1 4.2Å; N496-V498 PolarHBondContact O-N 2.93Å; N496-V498 VanDerWaalsContact O-N 3.1Å
499Q98.1Very high97.5Very high0 Ų021.2 Ų21.20%012%0.122CC..Hα-helixtrans-104.4-33.7-178.1-57.1-162.6-78.700113.2V481 G482 G483 P484 F485 T489 F490 N496 A497V481-Q499 WeakPolarHBondContact CB-O 3.42Å; G482-Q499 WeakPolarHBondContact CA-O 3.31Å; G482-Q499 PolarHBondContact N-O 3.24Å; G483-Q499 PolarHBondContact N-O 3.27Å; G483-Q499 WeakPolarHBondContact O-CA 3.31Å; G483-Q499 WeakPolarHBondContact O-CB 3.37Å; G483-Q499 VanDerWaalsContact O-CG 3.24Å; G483-Q499 WeakPolarHBondContact O-CG 3.35Å; G483-Q499 PolarHBondContact O-NE2 3.49Å; P484-Q499 VanDerWaalsContact C-NE2 3.3Å; P484-Q499 VanDerWaalsContact CA-NE2 3.29Å; F485-Q499 HydrophobicContact CD1-CG 4.48Å; F485-Q499 HydrophobicContact CE1-CG 4.07Å; F485-Q499 VanDerWaalsContact CE2-CD 3.46Å; F485-Q499 HydrophobicContact CE2-CG 4.22Å; F485-Q499 HydrophobicContact CZ-CG 3.92Å; T489-Q499 PolarHBondContact O-NE2 3.5Å; F490-Q499 HydrophobicContact CD2-CB 4.05Å; F490-Q499 HydrophobicContact CE2-CB 3.81Å; F490-Q499 VanDerWaalsContact CE2-O 3.29Å; F490-Q499 WeakPolarHBondContact CE2-O 2.9Å; N496-Q499 WeakPolarHBondContact ND2-CB 3.44Å; N496-Q499 WeakPolarHBondContact ND2-CG 3.47Å; N496-Q499 PolarHBondContact ND2-OE1 3.34Å; N496-Q499 PolarHBondContact O-N 3.31Å; A497-Q499 PolarHBondContact O-N 3.04Å
500T98.1Very high97.6Very high0 Ų018.7 Ų18.70%011%0.107CC..Hα-helixtrans-102.7-8.5-168.464.70000114.2V445 H446 F490 V491 S493 N496 A497V445-T500 VanDerWaalsContact CG1-O 3.26Å; V445-T500 WeakPolarHBondContact CG1-O 3.32Å; H446-T500 PolarHBondContact N-O 2.88Å; H446-T500 VanDerWaalsContact N-O 3.08Å; F490-T500 HydrophobicContact CE1-CG2 4.33Å; F490-T500 HydrophobicContact CZ-CG2 3.87Å; V491-T500 WeakPolarHBondContact O-CG2 3.27Å; S493-T500 WeakPolarHBondContact O-CG2 3.26Å; S493-T500 PolarHBondContact O-OG1 3.06Å; N496-T500 PolarHBondContact O-N 3.23Å; N496-T500 PolarHBondContact O-OG1 3.16Å; A497-T500 PolarHBondContact O-N 2.81Å
501E97.9Very high97.6Very high29 Ų2918.1 Ų18.114%0.13610%0.104CC..BIsolated β-bridgetrans-78127173-171.6171.3-127.900110A107 G108 W372 H446 G482 A497A107-E501 HydrophobicContact CB-CG 3.69Å; G108-E501 PolarHBondContact N-OE1 3.03Å; G108-E501 VanDerWaalsContact N-OE1 3.16Å; W372-E501 WeakPolarHBondContact CZ2-OE2 3.46Å; H446-E501 HydrophobicContact CB-CB 4.05Å; H446-E501 IonicContact CD2-OE1 2.61Å; G482-E501 PolarHBondContact N-O 2.77Å; A497-E501 HydrophobicContact CB-CB 4.24Å; A497-E501 WeakPolarHBondContact O-CB 3.33Å; A497-E501 PolarHBondContact O-N 3.34Å
502S96.8Very high97.6Very high0 Ų014.4 Ų14.40%08%0.082CC..BIsolated β-bridgetrans-99.4144.3178.354.10000110.7F68 A107 L480F68-S502 VanDerWaalsContact CZ-OG 3.25Å; F68-S502 WeakPolarHBondContact CZ-OG 3.44Å; A107-S502 CarbonylContact C-O 3.57Å; A107-S502 VanDerWaalsContact C-O 3.27Å; A107-S502 WeakPolarHBondContact CA-O 3.34Å; A107-S502 WeakPolarHBondContact CB-O 3.39Å; L480-S502 VanDerWaalsContact O-CA 3.24Å; L480-S502 WeakPolarHBondContact O-CA 3.31Å; L480-S502 VanDerWaalsContact O-CB 3.28Å; L480-S502 WeakPolarHBondContact O-CB 3.14Å
503S96.5Very high97.6Very high1 Ų112.2 Ų12.21%0.0077%0.07CC..  trans-124.8157.2-177.165.40000112.8F68 N373 Y505 N506 S507F68-S503 WeakPolarHBondContact CE1-O 3.39Å; N373-S503 PolarHBondContact ND2-OG 3.03Å; S503-Y505 VanDerWaalsContact CB-CZ 3.43Å; S503-Y505 WeakPolarHBondContact OG-CD2 3.24Å; S503-Y505 VanDerWaalsContact OG-CE2 3.27Å; S503-Y505 WeakPolarHBondContact OG-CE2 3.27Å; S503-N506 PolarHBondContact O-OD1 3.5Å; S503-N506 PolarHBondContact OG-N 3.19Å; S503-N506 PolarHBondContact OG-ND2 2.81Å; S503-N506 PolarHBondContact OG-OD1 2.97Å; S503-S507 WeakPolarHBondContact O-CB 3.35Å; S503-S507 PolarHBondContact O-N 3.35Å; S503-S507 PolarHBondContact O-OG 2.78Å
504T97.5Very high97.7Very high3 Ų310.7 Ų10.72%0.0186%0.059CC..Hα-helixtrans-70.2-34.5175.247.80000112F68 Q72 M104 T120 S507 G508F68-T504 HydrophobicContact CE1-CG2 4.42Å; Q72-T504 HydrophobicContact CB-CG2 3.98Å; Q72-T504 HydrophobicContact CG-CG2 3.69Å; M104-T504 HydrophobicContact CB-CG2 4.22Å; M104-T504 HydrophobicContact SD-CG2 3.86Å; T120-T504 VanDerWaalsContact OG1-C 3.28Å; T120-T504 PolarHBondContact OG1-OG1 3.28Å; T504-S507 PolarHBondContact O-N 3.38Å; T504-G508 PolarHBondContact O-N 3.08Å
505Y97.4Very high97.7Very high10 Ų1010.5 Ų10.54%0.0396%0.058CC..Hα-helixtrans-72.2-37.5-174.653.2-98.4000114.1P116 T120 Y258 W306 N373 Q376 S503 T509P116-Y505 HydrophobicContact CB-CD1 3.6Å; P116-Y505 HydrophobicContact CB-CE1 4.11Å; P116-Y505 HydrophobicContact CB-CG 4.5Å; T120-Y505 VanDerWaalsContact OG1-CA 3.28Å; T120-Y505 WeakPolarHBondContact OG1-CA 2.95Å; T120-Y505 PolarHBondContact OG1-N 3.3Å; Y258-Y505 HydrophobicContact CE1-CE1 4.41Å; W306-Y505 AromaticContact CD1-CD2 3.81Å; W306-Y505 AromaticContact CD1-CE2 3.65Å; W306-Y505 AromaticContact CD1-CZ 3.82Å; N373-Y505 WeakPolarHBondContact ND2-CE2 3.07Å; N373-Y505 VanDerWaalsContact ND2-CZ 3.26Å; N373-Y505 PolarHBondContact ND2-OH 3.05Å; Q376-Y505 HydrophobicContact CG-CD2 4.31Å; Q376-Y505 HydrophobicContact CG-CE2 4.38Å; S503-Y505 VanDerWaalsContact CB-CZ 3.43Å; S503-Y505 WeakPolarHBondContact OG-CD2 3.24Å; S503-Y505 VanDerWaalsContact OG-CE2 3.27Å; S503-Y505 WeakPolarHBondContact OG-CE2 3.27Å; Y505-T509 PolarHBondContact O-N 3.06Å; Y505-T509 PolarHBondContact O-OG1 3Å
506N97.2Very high97.7Very high0 Ų06.3 Ų6.30%04%0.036CC..Hα-helixtrans-72.3-35.1172.472.1-6000111.2N373 Q376 L480 S503 T509 L510N373-N506 PolarHBondContact OD1-ND2 2.89Å; Q376-N506 HydrophobicContact CB-CB 4.2Å; L480-N506 HydrophobicContact CD2-CB 3.99Å; L480-N506 PolarHBondContact O-ND2 3.1Å; L480-N506 PolarHBondContact O-OD1 3.5Å; S503-N506 PolarHBondContact O-OD1 3.5Å; S503-N506 PolarHBondContact OG-N 3.19Å; S503-N506 PolarHBondContact OG-ND2 2.81Å; S503-N506 PolarHBondContact OG-OD1 2.97Å; N506-T509 PolarHBondContact O-N 3.4Å; N506-L510 PolarHBondContact O-N 2.66Å
507S98.1Very high97.8Very high0 Ų05.3 Ų5.30%03%0.031CC..Hα-helixtrans-69.2-36.9178.1-58.20000111.8F68 S503 T504 L510 V511F68-S507 WeakPolarHBondContact CD1-OG 3.16Å; S503-S507 WeakPolarHBondContact O-CB 3.35Å; S503-S507 PolarHBondContact O-N 3.35Å; S503-S507 PolarHBondContact O-OG 2.78Å; T504-S507 PolarHBondContact O-N 3.38Å; S507-L510 WeakPolarHBondContact O-CB 3.5Å; S507-L510 PolarHBondContact O-N 2.74Å; S507-V511 PolarHBondContact O-N 2.88Å
508G97.6Very high97.8Very high0 Ų04.5 Ų4.50%02%0.024CC..Hα-helixtrans-58.7-47.3174.600000111.9T504 L510 V511 G512T504-G508 PolarHBondContact O-N 3.08Å; G508-L510 VanDerWaalsContact C-N 3.35Å; G508-V511 WeakPolarHBondContact O-CB 3.32Å; G508-V511 PolarHBondContact O-N 2.74Å; G508-G512 PolarHBondContact O-N 2.8Å
509T98.1Very high97.7Very high0 Ų03 Ų30%02%0.015CC..Hα-helixtrans-73-29.3177.5-43.90000112.7T379 N380 F383 Y505 N506 V511 G512 L513T379-T509 HydrophobicContact CG2-CG2 4.23Å; N380-T509 HydrophobicContact CB-CG2 4.37Å; N380-T509 WeakPolarHBondContact OD1-CB 3.19Å; N380-T509 WeakPolarHBondContact OD1-CG2 3.24Å; N380-T509 PolarHBondContact OD1-OG1 2.95Å; F383-T509 HydrophobicContact CB-CG2 3.38Å; F383-T509 HydrophobicContact CD1-CG2 3.65Å; F383-T509 HydrophobicContact CG-CG2 3.62Å; Y505-T509 PolarHBondContact O-N 3.06Å; Y505-T509 PolarHBondContact O-OG1 3Å; N506-T509 PolarHBondContact O-N 3.4Å; T509-V511 VanDerWaalsContact C-N 3.31Å; T509-V511 PolarHBondContact O-N 3.13Å; T509-G512 PolarHBondContact O-N 3.1Å; T509-G512 VanDerWaalsContact O-N 3.17Å; T509-L513 PolarHBondContact O-N 3.09Å
510L98.8Very high97.3Very high1 Ų15.3 Ų5.31%0.0053%0.029CC..Hα-helixtrans-62.6-40.5173.4-179.764.1000111A65 T379 I423 L434 L480 N506 S507 G508 G512 L513 L514A65-L510 HydrophobicContact CB-CD2 4.23Å; T379-L510 HydrophobicContact CG2-CB 3.75Å; T379-L510 HydrophobicContact CG2-CD1 4.23Å; I423-L510 HydrophobicContact CD1-CD1 4.37Å; I423-L510 HydrophobicContact CG2-CD1 4.27Å; L434-L510 HydrophobicContact CD1-CD2 3.9Å; L434-L510 HydrophobicContact CD2-CD2 4.4Å; L480-L510 HydrophobicContact CB-CD2 4.24Å; L480-L510 HydrophobicContact CD1-CD2 4.16Å; L480-L510 HydrophobicContact CD2-CB 4.13Å; L480-L510 HydrophobicContact CD2-CD2 4.08Å; L480-L510 HydrophobicContact CG-CD2 4.39Å; N506-L510 PolarHBondContact O-N 2.66Å; S507-L510 WeakPolarHBondContact O-CB 3.5Å; S507-L510 PolarHBondContact O-N 2.74Å; G508-L510 VanDerWaalsContact C-N 3.35Å; L510-G512 VanDerWaalsContact C-N 3.29Å; L510-G512 PolarHBondContact O-N 3.05Å; L510-L513 HydrophobicContact CD1-CD2 4.33Å; L510-L513 PolarHBondContact O-N 3.04Å; L510-L514 HydrophobicContact CD1-CD1 3.97Å; L510-L514 HydrophobicContact CD1-CD2 4.38Å; L510-L514 HydrophobicContact CD1-CG 3.88Å; L510-L514 HydrophobicContact CD2-CD1 4.24Å; L510-L514 HydrophobicContact CG-CD1 3.75Å; L510-L514 HydrophobicContact CG-CG 4.11Å; L510-L514 WeakPolarHBondContact O-CB 3.35Å; L510-L514 VanDerWaalsContact O-CG 3.28Å; L510-L514 WeakPolarHBondContact O-CG 3.39Å; L510-L514 PolarHBondContact O-N 2.84Å
511V98.7Very high96.7Very high0 Ų05.4 Ų5.40%03%0.03CC..Hα-helixtrans-56.9-45172.6163.70000111.1L62 A65 L66 F69 L124 M135 S507 G508 T509 S515L62-V511 HydrophobicContact CD1-CB 4.31Å; L62-V511 HydrophobicContact CD1-CG1 3.92Å; L62-V511 HydrophobicContact CD1-CG2 4.32Å; A65-V511 HydrophobicContact CB-CG2 4.16Å; L66-V511 HydrophobicContact CD2-CG1 4.01Å; L66-V511 HydrophobicContact CD2-CG2 3.81Å; L66-V511 HydrophobicContact CG-CG1 4.41Å; L66-V511 HydrophobicContact CG-CG2 3.85Å; F69-V511 HydrophobicContact CE2-CG2 3.8Å; F69-V511 HydrophobicContact CZ-CG2 4.37Å; L124-V511 HydrophobicContact CD2-CB 4.18Å; L124-V511 HydrophobicContact CD2-CG1 3.91Å; M135-V511 HydrophobicContact CE-CG1 3.92Å; S507-V511 PolarHBondContact O-N 2.88Å; G508-V511 WeakPolarHBondContact O-CB 3.32Å; G508-V511 PolarHBondContact O-N 2.74Å; T509-V511 VanDerWaalsContact C-N 3.31Å; T509-V511 PolarHBondContact O-N 3.13Å; V511-S515 VanDerWaalsContact O-CB 3.23Å; V511-S515 WeakPolarHBondContact O-CB 3.32Å; V511-S515 PolarHBondContact O-N 2.75Å; V511-S515 PolarHBondContact O-OG 3.15Å
512G98.3Very high96.3Very high0 Ų06.3 Ų6.30%04%0.04CC..Hα-helixtrans-60.4-49.1175.300000113.4S127 F383 G508 T509 L510 S515 G516S127-G512 WeakPolarHBondContact OG-CA 3.44Å; S127-G512 PolarHBondContact OG-N 2.85Å; F383-G512 VanDerWaalsContact CD2-C 3.47Å; G508-G512 PolarHBondContact O-N 2.8Å; T509-G512 PolarHBondContact O-N 3.1Å; T509-G512 VanDerWaalsContact O-N 3.17Å; L510-G512 VanDerWaalsContact C-N 3.29Å; L510-G512 PolarHBondContact O-N 3.05Å; G512-S515 PolarHBondContact O-N 2.94Å; G512-G516 PolarHBondContact O-N 3.19Å
513L98.8Very high96.1Very high0 Ų06.7 Ų6.70%04%0.042CC..Hα-helixtrans-58.2-51.8177.8172.858.6000111.4T379 A382 F383 V386 A416 A420 T509 L510 G516 L517T379-L513 HydrophobicContact CG2-CD2 4.29Å; A382-L513 HydrophobicContact CB-CD1 3.76Å; A382-L513 HydrophobicContact CB-CD2 3.68Å; A382-L513 HydrophobicContact CB-CG 4.34Å; F383-L513 HydrophobicContact CB-CB 4.32Å; V386-L513 HydrophobicContact CG2-CD1 3.65Å; A416-L513 HydrophobicContact CB-CD1 4.16Å; A420-L513 HydrophobicContact CB-CD2 4Å; A420-L513 HydrophobicContact CB-CG 4.27Å; T509-L513 PolarHBondContact O-N 3.09Å; L510-L513 HydrophobicContact CD1-CD2 4.33Å; L510-L513 PolarHBondContact O-N 3.04Å; L513-G516 PolarHBondContact O-N 3.1Å; L513-L517 HydrophobicContact CD1-CG 4.21Å; L513-L517 HydrophobicContact CG-CD1 4.24Å; L513-L517 VanDerWaalsContact O-CG 3.3Å; L513-L517 WeakPolarHBondContact O-CG 3.24Å; L513-L517 PolarHBondContact O-N 2.9Å; L513-L517 HydrophobicContact CD1-CD1 3.81Å
514L98.8Very high95.8Very high0 Ų08.8 Ų8.80%06%0.059CC..Hα-helixtrans-63.7-44.8-178.7-67.7174.1000110.8Y58 A61 L62 A65 L424 L510 G516 L517 V518Y58-L514 HydrophobicContact CD1-CD2 3.93Å; A61-L514 HydrophobicContact CB-CD1 3.8Å; A61-L514 HydrophobicContact CB-CD2 3.91Å; A61-L514 HydrophobicContact CB-CG 4.48Å; L62-L514 HydrophobicContact CB-CB 4.14Å; L62-L514 HydrophobicContact CD1-CB 4.23Å; A65-L514 HydrophobicContact CB-CD1 3.99Å; L424-L514 HydrophobicContact CD1-CD2 4.09Å; L510-L514 HydrophobicContact CD1-CD1 3.97Å; L510-L514 HydrophobicContact CD1-CD2 4.38Å; L510-L514 HydrophobicContact CD1-CG 3.88Å; L510-L514 HydrophobicContact CD2-CD1 4.24Å; L510-L514 HydrophobicContact CG-CD1 3.75Å; L510-L514 HydrophobicContact CG-CG 4.11Å; L510-L514 WeakPolarHBondContact O-CB 3.35Å; L510-L514 VanDerWaalsContact O-CG 3.28Å; L510-L514 WeakPolarHBondContact O-CG 3.39Å; L510-L514 PolarHBondContact O-N 2.84Å; L514-G516 VanDerWaalsContact C-N 3.32Å; L514-G516 PolarHBondContact O-N 3Å; L514-L517 CarbonylContact O-C 3.53Å; L514-L517 WeakPolarHBondContact O-CA 3.43Å; L514-L517 PolarHBondContact O-N 3.4Å; L514-V518 WeakPolarHBondContact O-CG2 3.1Å; L514-V518 PolarHBondContact O-N 3.43Å
515S98.4Very high95.4Very high0 Ų015 Ų150%09%0.088CC..Hα-helixtrans-54.1-50.7177.4-60.20000111L62 Q134 M135 V511 G512 L517 V518L62-S515 WeakPolarHBondContact CD1-OG 3.45Å; Q134-S515 PolarHBondContact OE1-O 2.95Å; M135-S515 WeakPolarHBondContact CE-OG 3.39Å; M135-S515 WeakPolarHBondContact CG-OG 3.49Å; V511-S515 VanDerWaalsContact O-CB 3.23Å; V511-S515 WeakPolarHBondContact O-CB 3.32Å; V511-S515 PolarHBondContact O-N 2.75Å; V511-S515 PolarHBondContact O-OG 3.15Å; G512-S515 PolarHBondContact O-N 2.94Å; S515-L517 PolarHBondContact O-N 2.86Å; S515-L517 VanDerWaalsContact O-N 3.17Å; S515-V518 WeakPolarHBondContact O-CB 3.22Å; S515-V518 PolarHBondContact O-N 3.3Å
516G97.5Very high95Very high0 Ų017.6 Ų17.60%011%0.107CC..Hα-helixtrans-63.9-17.2177.900000115Q134 R413 G512 L513 L514Q134-G516 VanDerWaalsContact OE1-CA 3.26Å; R413-G516 VanDerWaalsContact CZ-O 3.27Å; R413-G516 PolarHBondContact NH1-O 3.32Å; R413-G516 PolarHBondContact NH2-O 2.9Å; G512-G516 PolarHBondContact O-N 3.19Å; L513-G516 PolarHBondContact O-N 3.1Å; L514-G516 VanDerWaalsContact C-N 3.32Å; L514-G516 PolarHBondContact O-N 3Å
517L98.1Very high94.5Very high7 Ų718.5 Ų18.54%0.03711%0.111CC..Hα-helixtrans-100-19.3179-67.9-178000114.3Y58 V386 R413 I417 A420 L513 L514 S515 T519Y58-L517 HydrophobicContact CD1-CB 4.12Å; Y58-L517 HydrophobicContact CD1-CD1 4.25Å; Y58-L517 HydrophobicContact CD2-CB 3.72Å; Y58-L517 VanDerWaalsContact CD2-O 3.3Å; Y58-L517 WeakPolarHBondContact CD2-O 3.39Å; Y58-L517 HydrophobicContact CE1-CB 4.39Å; Y58-L517 HydrophobicContact CE1-CD1 3.93Å; Y58-L517 HydrophobicContact CE2-CB 4.03Å; Y58-L517 HydrophobicContact CG-CB 3.78Å; V386-L517 HydrophobicContact CG2-CD2 3.99Å; V386-L517 HydrophobicContact CG2-CG 4.31Å; R413-L517 HydrophobicContact CG-CD2 4.37Å; I417-L517 HydrophobicContact CD1-CD2 4.39Å; I417-L517 HydrophobicContact CG1-CD1 4.27Å; I417-L517 HydrophobicContact CG1-CD2 3.64Å; A420-L517 HydrophobicContact CB-CD1 3.5Å; L513-L517 HydrophobicContact CD1-CG 4.21Å; L513-L517 HydrophobicContact CG-CD1 4.24Å; L513-L517 VanDerWaalsContact O-CG 3.3Å; L513-L517 WeakPolarHBondContact O-CG 3.24Å; L513-L517 PolarHBondContact O-N 2.9Å; L513-L517 HydrophobicContact CD1-CD1 3.81Å; L514-L517 CarbonylContact O-C 3.53Å; L514-L517 WeakPolarHBondContact O-CA 3.43Å; L514-L517 PolarHBondContact O-N 3.4Å; S515-L517 PolarHBondContact O-N 2.86Å; S515-L517 VanDerWaalsContact O-N 3.17Å; L517-T519 PolarHBondContact O-N 2.94Å
518V97.4Very high93.2Very high1 Ų122.4 Ų22.41%0.00614%0.135CC..Hα-helixtrans-51-41.5177.7165.50000111.7I54 D55 L62 T138 L514 S515I54-V518 HydrophobicContact CD1-CG1 3.69Å; I54-V518 HydrophobicContact CG2-CG1 4.02Å; D55-V518 PolarHBondContact N-O 3.11Å; L62-V518 HydrophobicContact CD2-CG2 4.02Å; T138-V518 HydrophobicContact CG2-CB 4.42Å; T138-V518 HydrophobicContact CG2-CG1 3.32Å; T138-V518 HydrophobicContact CG2-CG2 4.12Å; L514-V518 WeakPolarHBondContact O-CG2 3.1Å; L514-V518 PolarHBondContact O-N 3.43Å; S515-V518 WeakPolarHBondContact O-CB 3.22Å; S515-V518 PolarHBondContact O-N 3.3Å
519T94.1Very high93Very high11 Ų1123.6 Ų23.67%0.06714%0.142CC..  trans-160-170.7178.2-166.40000108.8P51 G52 A53 I54 Q134 R413 L517P51-T519 HydrophobicContact CB-CG2 3.78Å; G52-T519 WeakPolarHBondContact CA-OG1 3.35Å; G52-T519 PolarHBondContact N-OG1 3Å; A53-T519 WeakPolarHBondContact O-CB 3.31Å; A53-T519 PolarHBondContact O-OG1 2.65Å; I54-T519 HydrophobicContact CD1-CG2 4.36Å; Q134-T519 HydrophobicContact CB-CG2 4.07Å; Q134-T519 HydrophobicContact CG-CG2 3.72Å; R413-T519 PolarHBondContact NH2-O 3.27Å; L517-T519 PolarHBondContact O-N 2.94Å
520T88.5Confident92.7Very high48 Ų4824.8 Ų24.829%0.29415%0.15SC..  trans-129.1126.7176-52.80000109.2P48 L393 R413P48-T520 HydrophobicContact CB-CG2 3.81Å; P48-T520 HydrophobicContact CG-CG2 3.48Å; P48-T520 VanDerWaalsContact CG-CG2 3.48Å; L393-T520 HydrophobicContact CD1-CG2 4.38Å; R413-T520 PolarHBondContact NH2-OG1 3.05Å
521S86.3Confident92.4Very high2 Ų226.1 Ų26.11%0.01416%0.158CC..  trans-134.2166.8170.657.30000110G49 D133 Q134G49-S521 VanDerWaalsContact O-CA 3.29Å; G49-S521 WeakPolarHBondContact O-CA 3.29Å; G49-S521 WeakPolarHBondContact O-CB 3.47Å; D133-S521 VanDerWaalsContact OD2-CB 3.31Å; D133-S521 WeakPolarHBondContact OD2-CB 3.39Å; D133-S521 PolarHBondContact OD2-OG 3.11Å; Q134-S521 PolarHBondContact NE2-OG 2.77Å
522S89.2Confident92Very high49 Ų4927.6 Ų27.634%0.34317%0.167SC..PPolyproline II helixtrans-71.6141168.932.10000110.2P48 G49P48-S522 VanDerWaalsContact O-CB 3.29Å; P48-S522 WeakPolarHBondContact O-CB 3.42Å; P48-S522 PolarHBondContact O-N 3.44Å; P48-S522 PolarHBondContact O-OG 3.23Å; G49-S522 PolarHBondContact O-N 2.91Å
523V92.3Very high91.6Very high8 Ų829.4 Ų29.45%0.04818%0.177CC..PPolyproline II helixtrans-78.2156.7173.9-64.70000110.9F323 D390 Y391 T394 Q525F323-V523 HydrophobicContact CE2-CG2 4.02Å; F323-V523 HydrophobicContact CZ-CG2 3.62Å; D390-V523 HydrophobicContact CB-CG1 3.75Å; Y391-V523 HydrophobicContact CD1-CG2 3.82Å; Y391-V523 HydrophobicContact CE1-CG2 4.2Å; T394-V523 HydrophobicContact CG2-CG2 4.12Å; T394-V523 WeakPolarHBondContact OG1-CG2 3.46Å; T394-V523 PolarHBondContact OG1-N 3.3Å; V523-Q525 PolarHBondContact O-N 2.88Å
524A90.5Very high91.1Very high44 Ų4431.3 Ų31.336%0.36419%0.189SC..PPolyproline II helixtrans-62.2128.2172.300000110.5R319 S526R319-A524 PolarHBondContact NH2-O 2.96Å; A524-S526 PolarHBondContact O-N 3.12Å
525Q89.2Confident90.6Very high134 Ų13433.6 Ų33.663%0.62620%0.203SC*.SBendtrans-69.7-22.2177.1-66.2-178.37.700112.5F323 T394 V523F323-Q525 HydrophobicContact CB-CB 4.29Å; F323-Q525 HydrophobicContact CD1-CG 4.12Å; F323-Q525 HydrophobicContact CG-CB 4.32Å; F323-Q525 HydrophobicContact CG-CG 4.42Å; T394-Q525 HydrophobicContact CG2-CG 4.41Å; V523-Q525 PolarHBondContact O-N 2.88Å
526S88.3Confident90Very high64 Ų6436.2 Ų36.245%0.44822%0.218SC..  trans-145.2145.5177.3179.10000110.3A524 T528A524-S526 PolarHBondContact O-N 3.12Å; S526-T528 PolarHBondContact OG-N 3.26Å; S526-T528 PolarHBondContact OG-OG1 2.98Å
527F88.2Confident89.3Confident19 Ų1939.2 Ų39.28%0.08324%0.237CC..  trans-92.7-18172.6-67.9-29.5000113.6L129 E130 I216 W273 H276 L316 R319L129-F527 HydrophobicContact CB-CD1 4.14Å; L129-F527 HydrophobicContact CB-CE1 3.58Å; L129-F527 HydrophobicContact CB-CE2 4.42Å; L129-F527 HydrophobicContact CB-CZ 3.7Å; L129-F527 HydrophobicContact CD1-CD2 4.3Å; L129-F527 HydrophobicContact CD1-CE2 4.19Å; L129-F527 HydrophobicContact CD1-CZ 4.29Å; L129-F527 HydrophobicContact CD2-CD1 4.47Å; L129-F527 HydrophobicContact CG-CE1 4.49Å; E130-F527 WeakPolarHBondContact OE1-CZ 3.4Å; I216-F527 HydrophobicContact CD1-CB 4.46Å; I216-F527 HydrophobicContact CG2-CB 3.93Å; W273-F527 HydrophobicContact CH2-CE2 4.31Å; W273-F527 HydrophobicContact CZ3-CD2 4.32Å; W273-F527 AromaticContact CZ3-CE2 3.98Å; W273-F527 HydrophobicContact CZ3-CE2 3.98Å; H276-F527 HydrophobicContact CB-CD2 4.25Å; H276-F527 AromaticContact ND1-CD2 3.87Å; L316-F527 HydrophobicContact CD1-CE2 4.41Å; R319-F527 VanDerWaalsContact CZ-CE2 3.46Å; R319-F527 VanDerWaalsContact NH1-CE2 3.29Å; R319-F527 VanDerWaalsContact NH2-CE1 3.31Å
528T70.1Confident88.5Confident83 Ų8342.1 Ų42.151%0.50926%0.255SS..  trans-76.90-176.863.60000113.9K219 H276 S526K219-T528 PolarHBondContact NZ-OXT 3.02Å; H276-T528 VanDerWaalsContact O-CG2 3.32Å; H276-T528 WeakPolarHBondContact O-CG2 3.5Å; S526-T528 PolarHBondContact OG-N 3.26Å; S526-T528 PolarHBondContact OG-OG1 2.98Å

Retrieved 528 of 528 residues in 647.5 ms (Link to these results)

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