A0A3Q0KI19_SCHMA Loading...

Putative short-chain dehydrogenase/reductase

AlphaFold DB , UniProt , Accession A0A3Q0KI19, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 350 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.3Low64.3Low229 Ų229116.4 Ų116.4100%1.12862%0.624SS**  0115.60-153.6159.274.200107.4L3M1-L3 PolarHBondContact O-N 2.98Å
2N52.7Low66Low108 Ų108114.5 Ų114.558%0.57862%0.62SS**  trans-72.5113.5-152.5-71.6-15.3000114.4W4 L5 L6N2-W4 PolarHBondContact O-N 3.44Å; N2-W4 VanDerWaalsContact O-N 3.14Å; N2-L5 HydrophobicContact CB-CB 4.24Å; N2-L5 HydrophobicContact CB-CD1 4.01Å; N2-L5 HydrophobicContact CB-CG 4.06Å; N2-L5 PolarHBondContact O-N 3.41Å; N2-L6 PolarHBondContact O-N 3.25Å
3L62Low67.3Low150 Ų150110.3 Ų110.379%0.78560%0.604SS**Hα-helixtrans-50.2-33.3168.7-80.9154.9000112.8M1 L6 G7M1-L3 PolarHBondContact O-N 2.98Å; L3-L6 PolarHBondContact O-N 2.99Å; L3-G7 PolarHBondContact O-N 3.38Å
4W57.3Low68.6Low213 Ų213107.9 Ų107.981%0.80759%0.594SS**Hα-helixtrans-64-41.3175.1-86.191000114.1N2 L6 G7 I8N2-W4 PolarHBondContact O-N 3.44Å; N2-W4 VanDerWaalsContact O-N 3.14Å; W4-L6 VanDerWaalsContact C-N 3.33Å; W4-G7 PolarHBondContact O-N 3.26Å; W4-I8 WeakPolarHBondContact O-CG1 3.36Å; W4-I8 PolarHBondContact O-N 3.46Å; W4-I8 VanDerWaalsContact O-N 3.1Å
5L56.6Low69.9Low117 Ų117106.1 Ų106.161%0.61359%0.588SS**Hα-helixtrans-68.5-35.4177.5-73.3172.3000111.2N2 S9N2-L5 HydrophobicContact CB-CB 4.24Å; N2-L5 HydrophobicContact CB-CD1 4.01Å; N2-L5 HydrophobicContact CB-CG 4.06Å; N2-L5 PolarHBondContact O-N 3.41Å; L5-S9 WeakPolarHBondContact O-CB 3.32Å; L5-S9 PolarHBondContact O-N 3.2Å; L5-S9 VanDerWaalsContact O-N 3.15Å
6L59.8Low71Confident114 Ų114107.3 Ų107.360%0.59759%0.585SS**Hα-helixtrans-64.8-42.2173.1-72.8166.9000111.7N2 L3 W4 S9 A10N2-L6 PolarHBondContact O-N 3.25Å; L3-L6 PolarHBondContact O-N 2.99Å; W4-L6 VanDerWaalsContact C-N 3.33Å; L6-S9 PolarHBondContact O-N 3.35Å; L6-A10 WeakPolarHBondContact O-CB 3.41Å; L6-A10 PolarHBondContact O-N 2.66Å
7G62Low71.9Confident35 Ų35104 Ų10436%0.36157%0.566SS.*Hα-helixtrans-60.8-49.717700000113.1L3 W4 S9 A10 T11L3-G7 PolarHBondContact O-N 3.38Å; W4-G7 PolarHBondContact O-N 3.26Å; G7-S9 VanDerWaalsContact C-N 3.35Å; G7-S9 PolarHBondContact O-N 3.24Å; G7-A10 PolarHBondContact O-N 2.83Å; G7-T11 PolarHBondContact O-N 3.27Å; G7-T11 PolarHBondContact O-OG1 2.89Å; G7-T11 VanDerWaalsContact O-OG1 3.07Å
8I70.1Confident72.6Confident102 Ų102104 Ų10452%0.52357%0.565SS.*Hα-helixtrans-61.6-43.4178.9-65.1168000111W4 A10 T11 V12W4-I8 WeakPolarHBondContact O-CG1 3.36Å; W4-I8 PolarHBondContact O-N 3.46Å; W4-I8 VanDerWaalsContact O-N 3.1Å; I8-A10 PolarHBondContact O-N 3.39Å; I8-T11 PolarHBondContact O-N 3.01Å; I8-V12 HydrophobicContact CG2-CG2 4.43Å; I8-V12 WeakPolarHBondContact O-CG2 3.39Å; I8-V12 PolarHBondContact O-N 2.81Å
9S74.8Confident73.3Confident72 Ų72102 Ų10250%0.50356%0.557SS.*Hα-helixtrans-61.2-41.9177.4174.50000112.6L5 L6 G7 S13L5-S9 WeakPolarHBondContact O-CB 3.32Å; L5-S9 PolarHBondContact O-N 3.2Å; L5-S9 VanDerWaalsContact O-N 3.15Å; L6-S9 PolarHBondContact O-N 3.35Å; G7-S9 VanDerWaalsContact C-N 3.35Å; G7-S9 PolarHBondContact O-N 3.24Å; S9-S13 WeakPolarHBondContact O-CB 3.41Å; S9-S13 PolarHBondContact O-N 2.8Å; S9-S13 PolarHBondContact O-OG 3.41Å
10A77.8Confident73.8Confident53 Ų5399.8 Ų99.844%0.43854%0.543SS..Hα-helixtrans-65-41.6177.400000111.8L6 G7 I8 S13 T14L6-A10 WeakPolarHBondContact O-CB 3.41Å; L6-A10 PolarHBondContact O-N 2.66Å; G7-A10 PolarHBondContact O-N 2.83Å; I8-A10 PolarHBondContact O-N 3.39Å; A10-S13 PolarHBondContact O-N 3.31Å; A10-T14 WeakPolarHBondContact O-CB 3.46Å; A10-T14 PolarHBondContact O-N 3.23Å; A10-T14 PolarHBondContact O-OG1 3.46Å
11T81.6Confident74.2Confident87 Ų8798.9 Ų98.953%0.53453%0.532SS..Hα-helixtrans-64.2-48.3176.9-520000111.6G7 I8 S13 T14 V15G7-T11 PolarHBondContact O-N 3.27Å; G7-T11 PolarHBondContact O-OG1 2.89Å; G7-T11 VanDerWaalsContact O-OG1 3.07Å; I8-T11 PolarHBondContact O-N 3.01Å; T11-S13 VanDerWaalsContact C-N 3.32Å; T11-S13 PolarHBondContact O-N 3.34Å; T11-T14 PolarHBondContact O-N 3.3Å; T11-V15 HydrophobicContact CG2-CG2 4.45Å; T11-V15 WeakPolarHBondContact O-CG2 3.44Å; T11-V15 PolarHBondContact O-N 2.75Å
12V84.8Confident75.6Confident94 Ų9496.9 Ų96.957%0.5751%0.512SS*.Hα-helixtrans-59.7-43.8178.9172.30000111.1I8 V15 F16I8-V12 HydrophobicContact CG2-CG2 4.43Å; I8-V12 WeakPolarHBondContact O-CG2 3.39Å; I8-V12 PolarHBondContact O-N 2.81Å; V12-V15 PolarHBondContact O-N 2.93Å; V12-F16 WeakPolarHBondContact O-CB 3.42Å; V12-F16 PolarHBondContact O-N 3.35Å
13S83.4Confident77.1Confident60 Ų6096.3 Ų96.342%0.4251%0.508SS..Hα-helixtrans-65.1-40.1178.1-64.20000112S9 A10 T11 F16 I17S9-S13 WeakPolarHBondContact O-CB 3.41Å; S9-S13 PolarHBondContact O-N 2.8Å; S9-S13 PolarHBondContact O-OG 3.41Å; A10-S13 PolarHBondContact O-N 3.31Å; T11-S13 VanDerWaalsContact C-N 3.32Å; T11-S13 PolarHBondContact O-N 3.34Å; S13-F16 PolarHBondContact O-N 3Å; S13-I17 WeakPolarHBondContact O-CB 3.39Å; S13-I17 VanDerWaalsContact O-CG1 3.25Å; S13-I17 WeakPolarHBondContact O-CG1 3.31Å; S13-I17 PolarHBondContact O-N 3.18Å
14T85.4Confident77.8Confident76 Ų7690 Ų9047%0.46648%0.476SS..Hα-helixtrans-65.2-47.4177.2-57.80000111.2A10 T11 F16 I17 L18A10-T14 WeakPolarHBondContact O-CB 3.46Å; A10-T14 PolarHBondContact O-N 3.23Å; A10-T14 PolarHBondContact O-OG1 3.46Å; T11-T14 PolarHBondContact O-N 3.3Å; T14-F16 VanDerWaalsContact C-N 3.35Å; T14-F16 PolarHBondContact O-N 3.47Å; T14-I17 PolarHBondContact O-N 3.22Å; T14-L18 HydrophobicContact CG2-CD1 4Å; T14-L18 HydrophobicContact CG2-CG 4.37Å; T14-L18 WeakPolarHBondContact O-CB 3.45Å; T14-L18 VanDerWaalsContact O-CG 3.28Å; T14-L18 WeakPolarHBondContact O-CG 3.47Å; T14-L18 PolarHBondContact O-N 3.3Å
15V88.2Confident78.7Confident81 Ų8181.4 Ų81.449%0.49144%0.443SS..Hα-helixtrans-59.3-47.2176.4173.60000110.2T11 V12 I17 L18 T19T11-V15 HydrophobicContact CG2-CG2 4.45Å; T11-V15 WeakPolarHBondContact O-CG2 3.44Å; T11-V15 PolarHBondContact O-N 2.75Å; V12-V15 PolarHBondContact O-N 2.93Å; V15-I17 PolarHBondContact O-N 3.37Å; V15-L18 PolarHBondContact O-N 2.98Å; V15-T19 WeakPolarHBondContact O-CB 3.41Å; V15-T19 PolarHBondContact O-N 3.01Å; V15-T19 PolarHBondContact O-OG1 2.86Å
16F88.1Confident79.4Confident126 Ų12683.8 Ų83.855%0.55344%0.444SS*.Hα-helixtrans-58-46.7176.9178.5-100.4000112.4V12 S13 T14 L18 T19 M20V12-F16 WeakPolarHBondContact O-CB 3.42Å; V12-F16 PolarHBondContact O-N 3.35Å; S13-F16 PolarHBondContact O-N 3Å; T14-F16 VanDerWaalsContact C-N 3.35Å; T14-F16 PolarHBondContact O-N 3.47Å; F16-L18 PolarHBondContact O-N 2.61Å; F16-T19 PolarHBondContact O-N 2.81Å; F16-M20 HydrophobicContact CD1-CG 4.23Å; F16-M20 HydrophobicContact CD2-CG 4.3Å; F16-M20 HydrophobicContact CE1-CG 3.82Å; F16-M20 HydrophobicContact CE2-CG 3.9Å; F16-M20 HydrophobicContact CE2-SD 4.29Å; F16-M20 HydrophobicContact CG-CG 4.46Å; F16-M20 HydrophobicContact CZ-CG 3.64Å; F16-M20 HydrophobicContact CZ-SD 4.18Å; F16-M20 WeakPolarHBondContact O-CB 3.27Å; F16-M20 VanDerWaalsContact O-CG 3.27Å; F16-M20 WeakPolarHBondContact O-CG 3.43Å; F16-M20 PolarHBondContact O-N 2.99Å
17I84.8Confident80.3Confident51 Ų5185.8 Ų85.826%0.26245%0.448SS..Hα-helixtrans-61.8-43.5177.6-73.1168000111.1S13 T14 V15 M20 R21 L270 L271S13-I17 WeakPolarHBondContact O-CB 3.39Å; S13-I17 VanDerWaalsContact O-CG1 3.25Å; S13-I17 WeakPolarHBondContact O-CG1 3.31Å; S13-I17 PolarHBondContact O-N 3.18Å; T14-I17 PolarHBondContact O-N 3.22Å; V15-I17 PolarHBondContact O-N 3.37Å; I17-M20 PolarHBondContact O-N 3.29Å; I17-R21 WeakPolarHBondContact O-CB 3.2Å; I17-R21 WeakPolarHBondContact O-CG 3.31Å; I17-R21 PolarHBondContact O-N 2.77Å; I17-L270 HydrophobicContact CD1-CD2 4.25Å; I17-L270 HydrophobicContact CG2-CD2 3.52Å; I17-L270 HydrophobicContact CG2-CG 4.11Å; I17-L271 HydrophobicContact CG2-CD2 4.23Å
18L85.7Confident81.2Confident104 Ų10485.9 Ų85.955%0.54544%0.442SS..Hα-helixtrans-65.8-44.3178.8-70.4175.6000111.6T14 V15 F16 R21 W22T14-L18 HydrophobicContact CG2-CD1 4Å; T14-L18 HydrophobicContact CG2-CG 4.37Å; T14-L18 WeakPolarHBondContact O-CB 3.45Å; T14-L18 VanDerWaalsContact O-CG 3.28Å; T14-L18 WeakPolarHBondContact O-CG 3.47Å; T14-L18 PolarHBondContact O-N 3.3Å; V15-L18 PolarHBondContact O-N 2.98Å; F16-L18 PolarHBondContact O-N 2.61Å; L18-R21 PolarHBondContact O-N 2.88Å; L18-W22 WeakPolarHBondContact O-CB 3.46Å; L18-W22 PolarHBondContact O-N 2.83Å
19T85.9Confident81.9Confident66 Ų6682.4 Ų82.441%0.40543%0.425SS..Hα-helixtrans-60.9-47.1174.7-57.70000110.8V15 F16 R21 W22 L23V15-T19 WeakPolarHBondContact O-CB 3.41Å; V15-T19 PolarHBondContact O-N 3.01Å; V15-T19 PolarHBondContact O-OG1 2.86Å; F16-T19 PolarHBondContact O-N 2.81Å; T19-R21 PolarHBondContact O-N 3.14Å; T19-W22 PolarHBondContact O-N 2.99Å; T19-L23 HydrophobicContact CG2-CD1 4.08Å; T19-L23 HydrophobicContact CG2-CG 4.47Å; T19-L23 VanDerWaalsContact O-CG 3.31Å; T19-L23 WeakPolarHBondContact O-CG 3.49Å; T19-L23 PolarHBondContact O-N 3.43Å
20M83.3Confident82.5Confident58 Ų5884.2 Ų84.229%0.28643%0.428SS..Hα-helixtrans-61.3-46.9177-74.8-59.3-65.300111.1F16 I17 W22 L23 T24 L271F16-M20 HydrophobicContact CD1-CG 4.23Å; F16-M20 HydrophobicContact CD2-CG 4.3Å; F16-M20 HydrophobicContact CE1-CG 3.82Å; F16-M20 HydrophobicContact CE2-CG 3.9Å; F16-M20 HydrophobicContact CE2-SD 4.29Å; F16-M20 HydrophobicContact CG-CG 4.46Å; F16-M20 HydrophobicContact CZ-CG 3.64Å; F16-M20 HydrophobicContact CZ-SD 4.18Å; F16-M20 WeakPolarHBondContact O-CB 3.27Å; F16-M20 VanDerWaalsContact O-CG 3.27Å; F16-M20 WeakPolarHBondContact O-CG 3.43Å; F16-M20 PolarHBondContact O-N 2.99Å; I17-M20 PolarHBondContact O-N 3.29Å; M20-W22 VanDerWaalsContact C-N 3.29Å; M20-W22 PolarHBondContact O-N 3.48Å; M20-L23 PolarHBondContact O-N 2.68Å; M20-L23 HydrophobicContact SD-CD1 4.41Å; M20-T24 HydrophobicContact CE-CG2 4.4Å; M20-T24 WeakPolarHBondContact O-CB 3.33Å; M20-T24 WeakPolarHBondContact O-CG2 3.47Å; M20-T24 PolarHBondContact O-N 2.9Å; M20-T24 PolarHBondContact O-OG1 2.83Å; M20-L271 HydrophobicContact CB-CD1 4.03Å; M20-L271 HydrophobicContact CB-CD2 3.67Å; M20-L271 HydrophobicContact CB-CG 4.43Å; M20-L271 HydrophobicContact CE-CD1 4.49Å
21R82Confident83Confident81 Ų8182 Ų8231%0.30641%0.41SS..Hα-helixtrans-55.3-44.5174-84.8-178.368.8112.4-8.7111.9I17 L18 T19 T24 R25 L270 L271I17-R21 WeakPolarHBondContact O-CB 3.2Å; I17-R21 WeakPolarHBondContact O-CG 3.31Å; I17-R21 PolarHBondContact O-N 2.77Å; L18-R21 PolarHBondContact O-N 2.88Å; T19-R21 PolarHBondContact O-N 3.14Å; R21-T24 PolarHBondContact O-N 3.4Å; R21-R25 VanDerWaalsContact O-CB 3.26Å; R21-R25 WeakPolarHBondContact O-CB 3.32Å; R21-R25 PolarHBondContact O-N 2.92Å; R21-L270 VanDerWaalsContact CD-O 3.31Å; R21-L270 WeakPolarHBondContact CD-O 3.08Å; R21-L270 WeakPolarHBondContact CG-O 3.44Å; R21-L270 PolarHBondContact NH1-O 3.5Å; R21-L271 HydrophobicContact CG-CD2 3.77Å
22W82.3Confident83.3Confident186 Ų18684.2 Ų84.271%0.70542%0.418SS*.Hα-helixtrans-63.2-45.1178.9179.180.8000111.5L18 T19 M20 R26L18-W22 WeakPolarHBondContact O-CB 3.46Å; L18-W22 PolarHBondContact O-N 2.83Å; T19-W22 PolarHBondContact O-N 2.99Å; M20-W22 VanDerWaalsContact C-N 3.29Å; M20-W22 PolarHBondContact O-N 3.48Å; W22-R26 WeakPolarHBondContact O-CA 3.3Å; W22-R26 PolarHBondContact O-N 2.91Å; W22-R26 VanDerWaalsContact O-N 3.07Å
23L83Confident83.4Confident97 Ų9780.6 Ų80.651%0.50840%0.397SS..Hα-helixtrans-64.3-41.9177.4-69.9172.6000112.7T19 M20T19-L23 HydrophobicContact CG2-CD1 4.08Å; T19-L23 HydrophobicContact CG2-CG 4.47Å; T19-L23 VanDerWaalsContact O-CG 3.31Å; T19-L23 WeakPolarHBondContact O-CG 3.49Å; T19-L23 PolarHBondContact O-N 3.43Å; M20-L23 PolarHBondContact O-N 2.68Å; M20-L23 HydrophobicContact SD-CD1 4.41Å
24T77.4Confident83.4Confident17 Ų1785 Ų8510%0.10442%0.415CS..Hα-helixtrans-89.7-33.6-172.452.60000114.1M20 R21 G242 M243 L271 L272M20-T24 HydrophobicContact CE-CG2 4.4Å; M20-T24 WeakPolarHBondContact O-CB 3.33Å; M20-T24 WeakPolarHBondContact O-CG2 3.47Å; M20-T24 PolarHBondContact O-N 2.9Å; M20-T24 PolarHBondContact O-OG1 2.83Å; R21-T24 PolarHBondContact O-N 3.4Å; T24-G242 VanDerWaalsContact O-CA 3.27Å; T24-G242 WeakPolarHBondContact O-CA 3.5Å; T24-M243 HydrophobicContact CG2-SD 4.33Å; T24-M243 PolarHBondContact O-N 3.44Å; T24-L271 PolarHBondContact OG1-O 2.89Å; T24-L272 HydrophobicContact CG2-CD2 4.21Å
25R74.9Confident83.3Confident33 Ų3383 Ų8313%0.12540%0.404CS..Hα-helixtrans-90-33.5178.2-58.5-160.7174.6-164.4-4.1112.8R21 G241 Q269 L270 L271 L272 K273 E277R21-R25 VanDerWaalsContact O-CB 3.26Å; R21-R25 WeakPolarHBondContact O-CB 3.32Å; R21-R25 PolarHBondContact O-N 2.92Å; R25-G241 VanDerWaalsContact O-O 3.11Å; R25-Q269 PolarHBondContact NH2-O 3.45Å; R25-L270 PolarHBondContact NE-O 3.47Å; R25-L270 PolarHBondContact NH2-O 2.89Å; R25-L270 VanDerWaalsContact NH2-O 3.12Å; R25-L271 WeakPolarHBondContact CG-O 3.37Å; R25-L271 PolarHBondContact NE-O 3.36Å; R25-L272 PolarHBondContact NE-O 2.87Å; R25-L272 PolarHBondContact NH2-O 2.84Å; R25-K273 HydrophobicContact CB-CG 4.07Å; R25-K273 HydrophobicContact CG-CG 4.22Å; R25-K273 WeakPolarHBondContact O-CE 3.45Å; R25-E277 IonicContact NH1-OE1 3.74Å; R25-E277 IonicContact NH1-OE2 3.79Å
26R72.6Confident82.9Confident167 Ų16781.4 Ų81.463%0.6340%0.395SS*.  trans44.3-175.3-161.6-65.5-163.1173.8-161.1-1.9111.3W22 T28W22-R26 WeakPolarHBondContact O-CA 3.3Å; W22-R26 PolarHBondContact O-N 2.91Å; W22-R26 VanDerWaalsContact O-N 3.07Å; R26-T28 PolarHBondContact O-N 2.84Å
27K77.7Confident82.4Confident156 Ų15678.7 Ų78.768%0.67840%0.397SS*.PPolyproline II helixtrans-67.4130.9176.9-171.1177.3178.6-176.50109.6N315K27-N315 PolarHBondContact O-ND2 3.32Å; K27-N315 VanDerWaalsContact O-ND2 3.14Å; K27-N315 PolarHBondContact O-OD1 2.89Å
28T81.6Confident82.3Confident37 Ų3778.9 Ų78.923%0.22741%0.411CS..PPolyproline II helixtrans-94131.7170.7-57.40000109.3R26 L30 E277R26-T28 PolarHBondContact O-N 2.84Å; T28-L30 HydrophobicContact CG2-CD2 4.23Å; T28-E277 HydrophobicContact CG2-CB 3.65Å; T28-E277 HydrophobicContact CG2-CG 3.85Å
29V83.9Confident82.7Confident28 Ų2875 Ų7517%0.1739%0.39CS..PPolyproline II helixtrans-100.9127.7166.7177.30000107.3Q280 H295 N315 C316V29-Q280 WeakPolarHBondContact O-CB 3.26Å; V29-Q280 WeakPolarHBondContact O-CG 2.93Å; V29-H295 HydrophobicContact CG1-CB 3.87Å; V29-N315 HydrophobicContact CG2-CB 4.45Å; V29-N315 WeakPolarHBondContact CG2-O 3.23Å; V29-C316 HydrophobicContact CB-CB 4.25Å; V29-C316 HydrophobicContact CG1-CB 3.98Å
30L88.5Confident83.2Confident110 Ų11072 Ų7258%0.57637%0.372SS*.PPolyproline II helixtrans-92.6117170.2-63.6180000108T28 N32 Q280T28-L30 HydrophobicContact CG2-CD2 4.23Å; L30-N32 PolarHBondContact O-N 3.4Å; L30-Q280 HydrophobicContact CD2-CG 3.9Å
31C87.6Confident83.9Confident7 Ų769.3 Ų69.35%0.04736%0.358CS..PPolyproline II helixtrans-69.3119.7-179.8175.90000110R61 V283 H284C31-R61 PolarHBondContact O-NH2 3.14Å; C31-V283 HydrophobicContact CB-CB 4.46Å; C31-V283 HydrophobicContact CB-CG1 4.31Å; C31-H284 HydrophobicContact CB-CB 4.23Å; C31-H284 VanDerWaalsContact SG-CA 3.56Å
32N87.8Confident84.7Confident133 Ų13365.4 Ų65.471%0.71134%0.344SS*.  trans-118.717.4173.569.4-20.3000112L30 H295L30-N32 PolarHBondContact O-N 3.4Å; N32-H295 PolarHBondContact OD1-CE1 2.99Å; N32-H295 VanDerWaalsContact OD1-CE1 3.23Å
33C88.2Confident85.5Confident19 Ų1956.6 Ų56.613%0.12831%0.31CS..  trans-56.4145.8179.8-60.90000111.8V287 S288 H295C33-V287 HydrophobicContact CB-CG2 4.01Å; C33-S288 PolarHBondContact SG-OG 3.32Å; C33-H295 PolarHBondContact SG-NE2 3.35Å; C33-H295 VanDerWaalsContact SG-NE2 3.43Å
34L82.1Confident86.3Confident153 Ų15352 Ų5280%0.80129%0.286SS*.  trans-54.8146.4169.5-74.4164.8000109.5
35S84.5Confident87.2Confident34 Ų3452 Ų5224%0.23829%0.29CS..  trans-139.7127-175.1-172.60000109.6A37 W63S35-A37 PolarHBondContact O-N 3Å; S35-W63 PolarHBondContact OG-NE1 3.43Å
36P79Confident88.2Confident46 Ų4650.5 Ų50.530%0.29928%0.284SS..  trans-67.5123.3171.6-14.528.7000109.2Q39 W63P36-Q39 HydrophobicContact CB-CG 4.27Å; P36-Q39 VanDerWaalsContact CB-NE2 3.32Å; P36-W63 PolarHBondContact O-NE1 3.26Å
37A78.1Confident89.2Confident70 Ų7044.1 Ų44.158%0.57926%0.263SS*.THydrogen-bonded Turntrans-69.7155.8176.800000111.3S35 Q39S35-A37 PolarHBondContact O-N 3Å; A37-Q39 VanDerWaalsContact C-N 3.27Å; A37-Q39 PolarHBondContact O-N 3.03Å
38G81.7Confident90Very high55 Ų5538.6 Ų38.657%0.56724%0.244SC*.THydrogen-bonded Turntrans79.1-2172.400000115.9N62G38-N62 PolarHBondContact N-O 2.82Å; G38-N62 VanDerWaalsContact N-O 3.14Å
39Q94.3Very high90.5Very high22 Ų2237.5 Ų37.510%0.10324%0.24CC..  trans-69.4159.6171.9-68.7-164.321.700112.1P36 A37 W63 K64 H116P36-Q39 HydrophobicContact CB-CG 4.27Å; P36-Q39 VanDerWaalsContact CB-NE2 3.32Å; A37-Q39 VanDerWaalsContact C-N 3.27Å; A37-Q39 PolarHBondContact O-N 3.03Å; Q39-W63 HydrophobicContact CB-CD2 4.04Å; Q39-W63 HydrophobicContact CB-CE3 3.81Å; Q39-W63 HydrophobicContact CB-CH2 3.76Å; Q39-W63 HydrophobicContact CB-CZ2 3.97Å; Q39-W63 HydrophobicContact CB-CZ3 3.67Å; Q39-W63 CarbonylContact O-C 3.54Å; Q39-W63 WeakPolarHBondContact O-CA 3.38Å; Q39-K64 PolarHBondContact O-N 3.09Å; Q39-H116 HydrophobicContact CB-CB 4.07Å; Q39-H116 HydrophobicContact CG-CB 4.37Å; Q39-H116 VanDerWaalsContact OE1-CB 3.25Å
40H97.2Very high91.1Very high4 Ų437.3 Ų37.32%0.01924%0.238CC..EExtended strand (participates in β ladder)trans-111.4120.8-175.5179.8-150.5000111.5K64 T66 P112 P114 H116 V117H40-K64 WeakPolarHBondContact CA-O 3.39Å; H40-K64 HydrophobicContact CB-CB 4.21Å; H40-K64 HydrophobicContact CB-CD 4.34Å; H40-K64 HydrophobicContact CB-CG 4.47Å; H40-K64 PolarHBondContact CD2-O 3.43Å; H40-T66 PolarHBondContact CE1-OG1 3.46Å; H40-T66 PolarHBondContact NE2-OG1 3.1Å; H40-P112 PolarHBondContact CE1-O 2.87Å; H40-P112 PolarHBondContact ND1-O 3.33Å; H40-P114 WeakPolarHBondContact CB-O 3.46Å; H40-P114 PolarHBondContact ND1-O 3.02Å; H40-H116 PolarHBondContact N-ND1 3.07Å; H40-H116 PolarHBondContact O-N 3.32Å; H40-V117 PolarHBondContact O-N 3.11Å; H40-V117 VanDerWaalsContact O-N 3.15Å
41A98.2Very high91.5Very high0 Ų032.1 Ų32.10%021%0.211CC..EExtended strand (participates in β ladder)trans-110.713517300000112.3L58 W63 K64 L65 T66 V117A41-L58 HydrophobicContact CB-CD1 3.69Å; A41-W63 HydrophobicContact CB-CE3 3.66Å; A41-W63 HydrophobicContact CB-CZ3 3.98Å; A41-K64 PolarHBondContact N-O 3.45Å; A41-L65 HydrophobicContact CB-CD2 3.97Å; A41-L65 WeakPolarHBondContact O-CA 3.28Å; A41-T66 PolarHBondContact O-N 2.76Å; A41-V117 CarbonylContact C-O 3.59Å; A41-V117 VanDerWaalsContact CA-O 3.31Å; A41-V117 WeakPolarHBondContact CA-O 3.43Å; A41-V117 HydrophobicContact CB-CB 4.1Å
42V98.7Very high92Very high0 Ų035.1 Ų35.10%022%0.221CC..EExtended strand (participates in β ladder)trans-102.3124.7170.7-1790000108.2T66 F107 L111 V115 V117 L118 I119V42-T66 WeakPolarHBondContact CA-O 3.21Å; V42-F107 HydrophobicContact CG1-CE1 3.71Å; V42-F107 HydrophobicContact CG1-CZ 3.63Å; V42-L111 HydrophobicContact CG1-CD1 4.09Å; V42-L111 HydrophobicContact CG2-CD1 3.81Å; V42-L111 HydrophobicContact CG2-CD2 3.73Å; V42-L111 HydrophobicContact CG2-CG 4.21Å; V42-V115 HydrophobicContact CG2-CG1 3.89Å; V42-V115 HydrophobicContact CG2-CG2 4.16Å; V42-V117 PolarHBondContact N-O 2.69Å; V42-L118 HydrophobicContact CB-CD1 4.02Å; V42-L118 HydrophobicContact CG1-CD1 3.9Å; V42-I119 PolarHBondContact O-N 3.43Å
43I98.8Very high92.5Very high0 Ų028.8 Ų28.80%019%0.188CC..EExtended strand (participates in β ladder)trans-124118.7-177.6-49.9171.5000109.7A46 T54 A55 L58 L65 T66 L67 G68 I119 N121I43-A46 HydrophobicContact CB-CB 3.92Å; I43-A46 HydrophobicContact CG2-CB 3.75Å; I43-T54 HydrophobicContact CD1-CG2 4.17Å; I43-A55 HydrophobicContact CD1-CB 3.83Å; I43-L58 HydrophobicContact CD1-CD1 4.25Å; I43-L65 HydrophobicContact CD1-CD2 4.35Å; I43-T66 PolarHBondContact N-O 3.44Å; I43-L67 HydrophobicContact CD1-CD2 4.33Å; I43-G68 PolarHBondContact O-N 3.45Å; I43-I119 HydrophobicContact CG1-CB 4.38Å; I43-I119 HydrophobicContact CG1-CD1 4.02Å; I43-I119 HydrophobicContact CG1-CG1 4.35Å; I43-I119 HydrophobicContact CG2-CB 4.36Å; I43-N121 HydrophobicContact CG2-CB 4.48Å
44T98.7Very high93Very high0 Ų027.9 Ų27.90%018%0.181CC..EExtended strand (participates in β ladder)trans-80.7138172.572.30000110.6A46 L96 I119 N121 A122 H149 L152T44-A46 PolarHBondContact O-N 2.69Å; T44-L96 HydrophobicContact CG2-CD2 3.62Å; T44-I119 PolarHBondContact N-O 3.49Å; T44-I119 VanDerWaalsContact N-O 3.07Å; T44-I119 PolarHBondContact OG1-O 3.02Å; T44-N121 WeakPolarHBondContact O-CB 3.2Å; T44-N121 PolarHBondContact O-ND2 3.47Å; T44-N121 PolarHBondContact OG1-N 3.38Å; T44-A122 PolarHBondContact O-N 3.36Å; T44-A122 WeakPolarHBondContact OG1-CB 3.28Å; T44-A122 PolarHBondContact OG1-N 3Å; T44-H149 PolarHBondContact OG1-NE2 2.73Å; T44-L152 HydrophobicContact CG2-CD2 3.5Å; T44-L152 VanDerWaalsContact CG2-CD2 3.5Å
45G97Very high93.7Very high19 Ų1920.6 Ų20.620%0.19614%0.143CC..THydrogen-bonded Turntrans66.435.6177.800000113.8N47 G68 N121G45-N47 VanDerWaalsContact C-N 3.27Å; G45-N47 PolarHBondContact O-N 3.21Å; G45-G68 PolarHBondContact N-O 3.19Å; G45-N121 PolarHBondContact O-ND2 3.3Å
46A95.8Very high94.4Very high0 Ų021 Ų210%014%0.141CC..THydrogen-bonded Turntrans-79.4-0.1-174.100000115.2I43 T44 S48 R52 L67 C69I43-A46 HydrophobicContact CB-CB 3.92Å; I43-A46 HydrophobicContact CG2-CB 3.75Å; T44-A46 PolarHBondContact O-N 2.69Å; A46-S48 VanDerWaalsContact C-N 3.33Å; A46-S48 PolarHBondContact O-N 3.48Å; A46-R52 WeakPolarHBondContact O-CA 3.14Å; A46-R52 WeakPolarHBondContact O-CB 3.49Å; A46-R52 PolarHBondContact O-N 3.46Å; A46-L67 HydrophobicContact CB-CB 4.01Å; A46-L67 HydrophobicContact CB-CD1 4.44Å; A46-L67 HydrophobicContact CB-CD2 3.73Å; A46-L67 HydrophobicContact CB-CG 4.25Å; A46-C69 PolarHBondContact N-SG 3.4Å
47N93.9Very high95.2Very high34 Ų3419.5 Ų19.518%0.18213%0.13CC..THydrogen-bonded Turntrans-82.8-4.6-177.972.1-49000114.2G45 C69 S74 A75 V78G45-N47 VanDerWaalsContact C-N 3.27Å; G45-N47 PolarHBondContact O-N 3.21Å; N47-C69 HydrophobicContact CB-CB 4.3Å; N47-C69 PolarHBondContact N-SG 3.14Å; N47-C69 VanDerWaalsContact N-SG 3.44Å; N47-S74 PolarHBondContact ND2-OG 3.46Å; N47-A75 HydrophobicContact CB-CB 3.97Å; N47-V78 WeakPolarHBondContact O-CG2 3.37Å
48S93.5Very high96.1Very high39 Ų3916.2 Ų16.227%0.27310%0.102SC..SBendtrans-156.2165.2179.671.50000113.2A46 I50 G51 R52A46-S48 VanDerWaalsContact C-N 3.33Å; A46-S48 PolarHBondContact O-N 3.48Å; S48-I50 PolarHBondContact O-N 3.12Å; S48-G51 PolarHBondContact O-N 3.15Å; S48-R52 PolarHBondContact O-N 3.38Å
49G93.7Very high96.9Very high15 Ų1513.7 Ų13.716%0.1558%0.076CC..Hα-helixtrans52-133170.200000113G51 R52 A53 P275G49-G51 PolarHBondContact O-N 3.47Å; G49-R52 PolarHBondContact O-N 3.13Å; G49-A53 PolarHBondContact O-N 2.94Å; G49-A53 VanDerWaalsContact O-N 3.11Å; G49-P275 WeakPolarHBondContact O-CB 3.39Å
50I96Very high96.9Very high24 Ų2418.1 Ų18.112%0.12310%0.095CC..Hα-helixtrans-60.4-44-176.5-65.3152.8000111.2S48 R52 A53 T54 T240 V244 T246 C279 I282S48-I50 PolarHBondContact O-N 3.12Å; I50-R52 VanDerWaalsContact C-N 3.34Å; I50-R52 PolarHBondContact O-N 3.25Å; I50-A53 CarbonylContact O-C 3.51Å; I50-A53 WeakPolarHBondContact O-CB 3.31Å; I50-A53 PolarHBondContact O-N 3.32Å; I50-A53 VanDerWaalsContact O-N 3.1Å; I50-T54 PolarHBondContact O-N 3.41Å; I50-T54 PolarHBondContact O-OG1 2.8Å; I50-T240 HydrophobicContact CD1-CG2 3.77Å; I50-V244 HydrophobicContact CD1-CB 4.11Å; I50-V244 HydrophobicContact CD1-CG1 4.24Å; I50-V244 HydrophobicContact CD1-CG2 4.1Å; I50-V244 HydrophobicContact CG1-CB 4.32Å; I50-V244 HydrophobicContact CG1-CG1 3.9Å; I50-V244 HydrophobicContact CG1-CG2 4.42Å; I50-T246 HydrophobicContact CD1-CG2 4.09Å; I50-T246 HydrophobicContact CG1-CG2 3.95Å; I50-C279 HydrophobicContact CG2-CB 4.03Å; I50-I282 HydrophobicContact CG2-CD1 3.28Å
51G97.5Very high96.8Very high1 Ų120.2 Ų20.21%0.0110%0.103CC..Hα-helixtrans-60.2-41.7-179.500000113S48 G49 T54 A55 N121S48-G51 PolarHBondContact O-N 3.15Å; G49-G51 PolarHBondContact O-N 3.47Å; G51-T54 PolarHBondContact O-N 3.03Å; G51-A55 WeakPolarHBondContact O-CB 3.45Å; G51-A55 PolarHBondContact O-N 3.11Å; G51-N121 VanDerWaalsContact CA-ND2 3.31Å; G51-N121 WeakPolarHBondContact CA-ND2 3.04Å
52R97.9Very high96.7Very high69 Ų6924.1 Ų24.126%0.2612%0.124SC..Hα-helixtrans-63.9-43.2173.9178.7-177.8166-73.18.7111.6A46 S48 G49 I50 A55 F56 V78 E81A46-R52 WeakPolarHBondContact O-CA 3.14Å; A46-R52 WeakPolarHBondContact O-CB 3.49Å; A46-R52 PolarHBondContact O-N 3.46Å; S48-R52 PolarHBondContact O-N 3.38Å; G49-R52 PolarHBondContact O-N 3.13Å; I50-R52 VanDerWaalsContact C-N 3.34Å; I50-R52 PolarHBondContact O-N 3.25Å; R52-A55 PolarHBondContact O-N 3.14Å; R52-F56 PolarHBondContact O-N 2.95Å; R52-V78 HydrophobicContact CB-CG1 4.44Å; R52-V78 HydrophobicContact CG-CG1 3.76Å; R52-V78 HydrophobicContact CG-CG2 4.12Å; R52-E81 IonicContact CZ-OE1 3.8Å; R52-E81 IonicContact CZ-OE2 2.75Å; R52-E81 VanDerWaalsContact CZ-OE2 3.26Å; R52-E81 IonicContact NE-OE2 3.21Å; R52-E81 PolarHBondContact NE-OE2 3.14Å; R52-E81 IonicContact NH2-OE1 3.76Å; R52-E81 PolarHBondContact NH2-OE1 2.65Å; R52-E81 IonicContact NH2-OE2 2.84Å; R52-E81 PolarHBondContact NH2-OE2 3.08Å
53A97.7Very high96.6Very high1 Ų124.1 Ų24.11%0.00812%0.124CC..Hα-helixtrans-64.5-40.1177.900000112.2G49 I50 F56 E57 P275 I276 C279G49-A53 PolarHBondContact O-N 2.94Å; G49-A53 VanDerWaalsContact O-N 3.11Å; I50-A53 CarbonylContact O-C 3.51Å; I50-A53 WeakPolarHBondContact O-CB 3.31Å; I50-A53 PolarHBondContact O-N 3.32Å; I50-A53 VanDerWaalsContact O-N 3.1Å; A53-F56 PolarHBondContact O-N 2.81Å; A53-E57 PolarHBondContact O-N 3.43Å; A53-P275 VanDerWaalsContact CB-C 3.49Å; A53-P275 HydrophobicContact CB-CB 3.82Å; A53-P275 WeakPolarHBondContact CB-O 3.49Å; A53-I276 HydrophobicContact CB-CD1 3.86Å; A53-I276 HydrophobicContact CB-CG1 4.35Å; A53-C279 HydrophobicContact CB-CB 4Å
54T97.9Very high96.6Very high0 Ų027.7 Ų27.70%014%0.139CC..Hα-helixtrans-62-47.3172.5-54.60000111.1I43 I50 G51 F56 E57 L58 I119 C279 I282 V283I43-T54 HydrophobicContact CD1-CG2 4.17Å; I50-T54 PolarHBondContact O-N 3.41Å; I50-T54 PolarHBondContact O-OG1 2.8Å; G51-T54 PolarHBondContact O-N 3.03Å; T54-F56 VanDerWaalsContact C-N 3.29Å; T54-F56 PolarHBondContact O-N 3.1Å; T54-E57 PolarHBondContact O-N 3.38Å; T54-L58 HydrophobicContact CG2-CD1 4.15Å; T54-L58 HydrophobicContact CG2-CG 4.4Å; T54-L58 WeakPolarHBondContact O-CG 3.49Å; T54-L58 PolarHBondContact O-N 2.97Å; T54-I119 HydrophobicContact CG2-CD1 3.69Å; T54-C279 VanDerWaalsContact OG1-CB 3.31Å; T54-C279 WeakPolarHBondContact OG1-CB 3.37Å; T54-I282 HydrophobicContact CG2-CB 4.39Å; T54-I282 HydrophobicContact CG2-CG2 3.63Å; T54-V283 HydrophobicContact CG2-CG2 4.47Å
55A98.5Very high96.6Very high0 Ų027.7 Ų27.70%014%0.139CC..Hα-helixtrans-58.4-42.9177.700000111.5I43 G51 R52 A59 L65 L67 I82I43-A55 HydrophobicContact CD1-CB 3.83Å; G51-A55 WeakPolarHBondContact O-CB 3.45Å; G51-A55 PolarHBondContact O-N 3.11Å; R52-A55 PolarHBondContact O-N 3.14Å; A55-A59 WeakPolarHBondContact O-CB 3.15Å; A55-A59 PolarHBondContact O-N 2.94Å; A55-L65 HydrophobicContact CB-CD1 4.16Å; A55-L65 VanDerWaalsContact O-CD1 3.23Å; A55-L65 WeakPolarHBondContact O-CD1 3.47Å; A55-L67 HydrophobicContact CB-CD2 3.83Å; A55-I82 HydrophobicContact CB-CD1 3.71Å
56F98Very high96.6Very high41 Ų4126.8 Ų26.818%0.1813%0.13CC..Hα-helixtrans-61.6-47.9175.6175.1-103000112.7R52 A53 T54 L58 A59 K60 I82 L85 T86 I276R52-F56 PolarHBondContact O-N 2.95Å; A53-F56 PolarHBondContact O-N 2.81Å; T54-F56 VanDerWaalsContact C-N 3.29Å; T54-F56 PolarHBondContact O-N 3.1Å; F56-L58 PolarHBondContact O-N 2.96Å; F56-A59 PolarHBondContact O-N 3.24Å; F56-K60 HydrophobicContact CD1-CD 3.98Å; F56-K60 HydrophobicContact CE1-CD 3.41Å; F56-K60 VanDerWaalsContact CE1-CD 3.41Å; F56-K60 HydrophobicContact CE1-CG 4.35Å; F56-K60 HydrophobicContact CE2-CD 4.22Å; F56-K60 HydrophobicContact CE2-CG 4.4Å; F56-K60 HydrophobicContact CZ-CD 3.56Å; F56-K60 HydrophobicContact CZ-CG 4.21Å; F56-K60 WeakPolarHBondContact O-CG 3.23Å; F56-K60 PolarHBondContact O-N 3.4Å; F56-I82 HydrophobicContact CB-CD1 4.3Å; F56-I82 HydrophobicContact CB-CG1 4.26Å; F56-I82 HydrophobicContact CD2-CG1 4.42Å; F56-L85 HydrophobicContact CD2-CD1 4.44Å; F56-L85 HydrophobicContact CE2-CB 3.89Å; F56-L85 HydrophobicContact CE2-CD1 3.98Å; F56-T86 HydrophobicContact CD2-CG2 3.98Å; F56-T86 HydrophobicContact CE2-CG2 3.83Å; F56-I276 HydrophobicContact CD1-CD1 3.93Å; F56-I276 HydrophobicContact CE1-CD1 4.44Å
57E96.9Very high96.8Very high16 Ų1626.8 Ų26.88%0.07513%0.13CC..Hα-helixtrans-66.1-36.2-179.3-78.2-61.7139.300113.2A53 T54 K60 R61 V283A53-E57 PolarHBondContact O-N 3.43Å; T54-E57 PolarHBondContact O-N 3.38Å; E57-K60 IonicContact OE1-NZ 3.26Å; E57-K60 PolarHBondContact OE1-NZ 3.18Å; E57-K60 IonicContact OE2-NZ 2.75Å; E57-R61 PolarHBondContact O-NH1 2.9Å; E57-R61 IonicContact OE2-CZ 2.87Å; E57-R61 IonicContact OE2-NH1 3.82Å; E57-R61 PolarHBondContact OE2-NH1 3.31Å; E57-R61 IonicContact OE2-NH2 3.3Å; E57-V283 HydrophobicContact CB-CG1 4.43Å; E57-V283 HydrophobicContact CB-CG2 3.64Å; E57-V283 HydrophobicContact CG-CG2 4.25Å
58L97.2Very high97Very high0 Ų025.2 Ų25.20%012%0.122CC..Hα-helixtrans-73.4-37.7173.6-65.5-176.9000111.9A41 I43 T54 F56 K60 R61 N62 W63 L65 I119 A286 V287A41-L58 HydrophobicContact CB-CD1 3.69Å; I43-L58 HydrophobicContact CD1-CD1 4.25Å; T54-L58 HydrophobicContact CG2-CD1 4.15Å; T54-L58 HydrophobicContact CG2-CG 4.4Å; T54-L58 WeakPolarHBondContact O-CG 3.49Å; T54-L58 PolarHBondContact O-N 2.97Å; F56-L58 PolarHBondContact O-N 2.96Å; L58-K60 VanDerWaalsContact C-N 3.31Å; L58-K60 PolarHBondContact O-N 2.91Å; L58-R61 CarbonylContact O-C 3.55Å; L58-R61 WeakPolarHBondContact O-CA 3.45Å; L58-R61 WeakPolarHBondContact O-CB 3.34Å; L58-R61 PolarHBondContact O-N 3.08Å; L58-N62 PolarHBondContact O-N 3.31Å; L58-W63 HydrophobicContact CB-CB 4.12Å; L58-W63 HydrophobicContact CB-CG 4.21Å; L58-W63 HydrophobicContact CD2-CD2 4.31Å; L58-W63 WeakPolarHBondContact O-CB 3.47Å; L58-W63 PolarHBondContact O-N 3.35Å; L58-L65 HydrophobicContact CB-CD2 3.84Å; L58-L65 HydrophobicContact CD1-CD2 4.25Å; L58-I119 HydrophobicContact CD1-CD1 4.02Å; L58-A286 HydrophobicContact CD2-CB 4.3Å; L58-V287 HydrophobicContact CD2-CG1 3.55Å
59A97.1Very high97.2Very high2 Ų223.4 Ų23.42%0.01711%0.109CC..Hα-helixtrans-61.1-40.6175.800000112A55 F56 R61 N62 L65 I82 T86 N88 I91A55-A59 WeakPolarHBondContact O-CB 3.15Å; A55-A59 PolarHBondContact O-N 2.94Å; F56-A59 PolarHBondContact O-N 3.24Å; A59-R61 PolarHBondContact O-N 3.24Å; A59-N62 WeakPolarHBondContact O-CA 3.41Å; A59-N62 PolarHBondContact O-N 3.23Å; A59-L65 HydrophobicContact CB-CD1 3.9Å; A59-I82 HydrophobicContact CB-CG2 3.32Å; A59-T86 HydrophobicContact CB-CG2 4.16Å; A59-N88 WeakPolarHBondContact CA-ND2 3.38Å; A59-N88 HydrophobicContact CB-CB 4.35Å; A59-N88 PolarHBondContact O-ND2 2.96Å; A59-I91 HydrophobicContact CB-CD1 4.08Å
60K95.4Very high97.4Very high115 Ų11528.9 Ų28.950%0.513%0.125SC..THydrogen-bonded Turntrans-57.6-25.5172.2-78175.558.6-169.30113.8F56 E57 L58 N62 T86F56-K60 HydrophobicContact CD1-CD 3.98Å; F56-K60 HydrophobicContact CE1-CD 3.41Å; F56-K60 VanDerWaalsContact CE1-CD 3.41Å; F56-K60 HydrophobicContact CE1-CG 4.35Å; F56-K60 HydrophobicContact CE2-CD 4.22Å; F56-K60 HydrophobicContact CE2-CG 4.4Å; F56-K60 HydrophobicContact CZ-CD 3.56Å; F56-K60 HydrophobicContact CZ-CG 4.21Å; F56-K60 WeakPolarHBondContact O-CG 3.23Å; F56-K60 PolarHBondContact O-N 3.4Å; E57-K60 IonicContact OE1-NZ 3.26Å; E57-K60 PolarHBondContact OE1-NZ 3.18Å; E57-K60 IonicContact OE2-NZ 2.75Å; L58-K60 VanDerWaalsContact C-N 3.31Å; L58-K60 PolarHBondContact O-N 2.91Å; K60-N62 VanDerWaalsContact C-N 3.29Å; K60-T86 HydrophobicContact CG-CG2 3.65Å
61R94.9Very high97.4Very high48 Ų4831.7 Ų31.718%0.18114%0.14CC..THydrogen-bonded Turntrans-92.913.5177-67.2166.8173.476.8-2.9112.3C31 E57 L58 A59 W63C31-R61 PolarHBondContact O-NH2 3.14Å; E57-R61 PolarHBondContact O-NH1 2.9Å; E57-R61 IonicContact OE2-CZ 2.87Å; E57-R61 IonicContact OE2-NH1 3.82Å; E57-R61 PolarHBondContact OE2-NH1 3.31Å; E57-R61 IonicContact OE2-NH2 3.3Å; L58-R61 CarbonylContact O-C 3.55Å; L58-R61 WeakPolarHBondContact O-CA 3.45Å; L58-R61 WeakPolarHBondContact O-CB 3.34Å; L58-R61 PolarHBondContact O-N 3.08Å; A59-R61 PolarHBondContact O-N 3.24Å; R61-W63 VanDerWaalsContact C-N 3.29Å; R61-W63 PolarHBondContact O-N 3.07Å
62N95.7Very high97.4Very high83 Ų8334.5 Ų34.544%0.44415%0.154SC..THydrogen-bonded Turntrans58.735.3-179.2-160.534000114.2G38 L58 A59 K60G38-N62 PolarHBondContact N-O 2.82Å; G38-N62 VanDerWaalsContact N-O 3.14Å; L58-N62 PolarHBondContact O-N 3.31Å; A59-N62 WeakPolarHBondContact O-CA 3.41Å; A59-N62 PolarHBondContact O-N 3.23Å; K60-N62 VanDerWaalsContact C-N 3.29Å
63W97.4Very high97.4Very high0 Ų036.6 Ų36.60%017%0.171CC..  trans-77.4145.1171.8-76.752.6000111S35 P36 Q39 A41 L58 R61 L65 N88 V117 V287S35-W63 PolarHBondContact OG-NE1 3.43Å; P36-W63 PolarHBondContact O-NE1 3.26Å; Q39-W63 HydrophobicContact CB-CD2 4.04Å; Q39-W63 HydrophobicContact CB-CE3 3.81Å; Q39-W63 HydrophobicContact CB-CH2 3.76Å; Q39-W63 HydrophobicContact CB-CZ2 3.97Å; Q39-W63 HydrophobicContact CB-CZ3 3.67Å; Q39-W63 CarbonylContact O-C 3.54Å; Q39-W63 WeakPolarHBondContact O-CA 3.38Å; A41-W63 HydrophobicContact CB-CE3 3.66Å; A41-W63 HydrophobicContact CB-CZ3 3.98Å; L58-W63 HydrophobicContact CB-CB 4.12Å; L58-W63 HydrophobicContact CB-CG 4.21Å; L58-W63 HydrophobicContact CD2-CD2 4.31Å; L58-W63 WeakPolarHBondContact O-CB 3.47Å; L58-W63 PolarHBondContact O-N 3.35Å; R61-W63 VanDerWaalsContact C-N 3.29Å; R61-W63 PolarHBondContact O-N 3.07Å; W63-L65 HydrophobicContact CB-CD2 4.04Å; W63-N88 PolarHBondContact O-ND2 2.81Å; W63-V117 HydrophobicContact CH2-CG2 3.52Å; W63-V117 HydrophobicContact CZ3-CB 4.01Å; W63-V117 HydrophobicContact CZ3-CG2 3.44Å; W63-V117 VanDerWaalsContact CZ3-CG2 3.44Å; W63-V287 HydrophobicContact CZ2-CB 4.5Å; W63-V287 HydrophobicContact CZ2-CG1 3.85Å
64K97.9Very high97.3Very high74 Ų7438.5 Ų38.532%0.32218%0.184SC..EExtended strand (participates in β ladder)trans-72.6136.2161.4-178.9178-178.4174.60108.7Q39 H40 A41 N90Q39-K64 PolarHBondContact O-N 3.09Å; H40-K64 WeakPolarHBondContact CA-O 3.39Å; H40-K64 HydrophobicContact CB-CB 4.21Å; H40-K64 HydrophobicContact CB-CD 4.34Å; H40-K64 HydrophobicContact CB-CG 4.47Å; H40-K64 PolarHBondContact CD2-O 3.43Å; A41-K64 PolarHBondContact N-O 3.45Å; K64-N90 CarbonylContact C-O 3.52Å; K64-N90 VanDerWaalsContact CA-O 3.32Å; K64-N90 WeakPolarHBondContact CA-O 3.47Å; K64-N90 HydrophobicContact CB-CB 4.21Å; K64-N90 HydrophobicContact CG-CB 4.33Å
65L98.4Very high97.3Very high0 Ų038.5 Ų38.50%018%0.184CC..EExtended strand (participates in β ladder)trans-125.3135.9-177.4-56.9-179.2000112A41 I43 A55 L58 A59 W63 L67 N90 I91 S92A41-L65 HydrophobicContact CB-CD2 3.97Å; A41-L65 WeakPolarHBondContact O-CA 3.28Å; I43-L65 HydrophobicContact CD1-CD2 4.35Å; A55-L65 HydrophobicContact CB-CD1 4.16Å; A55-L65 VanDerWaalsContact O-CD1 3.23Å; A55-L65 WeakPolarHBondContact O-CD1 3.47Å; L58-L65 HydrophobicContact CB-CD2 3.84Å; L58-L65 HydrophobicContact CD1-CD2 4.25Å; A59-L65 HydrophobicContact CB-CD1 3.9Å; W63-L65 HydrophobicContact CB-CD2 4.04Å; L65-L67 HydrophobicContact CB-CD2 4Å; L65-L67 HydrophobicContact CD1-CD2 4.4Å; L65-N90 PolarHBondContact N-O 3.18Å; L65-I91 HydrophobicContact CB-CG1 4.32Å; L65-I91 HydrophobicContact CB-CG2 4.24Å; L65-I91 HydrophobicContact CD1-CD1 4.29Å; L65-I91 HydrophobicContact CD1-CG1 4.18Å; L65-I91 HydrophobicContact CG-CG1 4.47Å; L65-S92 PolarHBondContact O-N 2.81Å; L65-S92 PolarHBondContact O-OG 3.15Å
66T98.5Very high97.3Very high0 Ų041.7 Ų41.70%020%0.2CC..EExtended strand (participates in β ladder)trans-113.4109.7161.9-61.70000109H40 A41 V42 I43 G68 S92 R94 F107 L111H40-T66 PolarHBondContact CE1-OG1 3.46Å; H40-T66 PolarHBondContact NE2-OG1 3.1Å; A41-T66 PolarHBondContact O-N 2.76Å; V42-T66 WeakPolarHBondContact CA-O 3.21Å; I43-T66 PolarHBondContact N-O 3.44Å; T66-G68 PolarHBondContact O-N 2.9Å; T66-S92 PolarHBondContact OG1-OG 3Å; T66-R94 HydrophobicContact CG2-CB 4.42Å; T66-R94 HydrophobicContact CG2-CG 4.03Å; T66-F107 HydrophobicContact CG2-CE2 3.96Å; T66-F107 HydrophobicContact CG2-CZ 3.85Å; T66-L111 HydrophobicContact CG2-CD1 4.2Å
67L98.6Very high97.4Very high0 Ų046.6 Ų46.60%022%0.221CC..EExtended strand (participates in β ladder)trans-90.1101.8-179.8-52-168.4000109.3I43 A46 A55 L65 V78 I91 S92 V93 R94I43-L67 HydrophobicContact CD1-CD2 4.33Å; A46-L67 HydrophobicContact CB-CB 4.01Å; A46-L67 HydrophobicContact CB-CD1 4.44Å; A46-L67 HydrophobicContact CB-CD2 3.73Å; A46-L67 HydrophobicContact CB-CG 4.25Å; A55-L67 HydrophobicContact CB-CD2 3.83Å; L65-L67 HydrophobicContact CB-CD2 4Å; L65-L67 HydrophobicContact CD1-CD2 4.4Å; L67-V78 HydrophobicContact CD1-CG1 4.31Å; L67-I91 HydrophobicContact CD1-CG2 3.83Å; L67-I91 HydrophobicContact CG-CG2 3.97Å; L67-S92 PolarHBondContact N-O 3.32Å; L67-V93 HydrophobicContact CB-CG2 4.33Å; L67-V93 HydrophobicContact CD1-CG2 4.41Å; L67-R94 PolarHBondContact O-N 3.23Å
68G98.5Very high97.4Very high1 Ų146.1 Ų46.11%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-84.5109.8176.200000111.1I43 G45 T66 R94 F107I43-G68 PolarHBondContact O-N 3.45Å; G45-G68 PolarHBondContact N-O 3.19Å; T66-G68 PolarHBondContact O-N 2.9Å; G68-R94 WeakPolarHBondContact CA-O 3.33Å; G68-F107 VanDerWaalsContact CA-CE2 3.45Å
69C98Very high97.5Very high1 Ų149.6 Ų49.61%0.00724%0.235CC..EExtended strand (participates in β ladder)trans-139.5144.7-174.7-61.80000112.2A46 N47 A75 R94 L95 L96A46-C69 PolarHBondContact N-SG 3.4Å; N47-C69 HydrophobicContact CB-CB 4.3Å; N47-C69 PolarHBondContact N-SG 3.14Å; N47-C69 VanDerWaalsContact N-SG 3.44Å; C69-A75 HydrophobicContact CB-CB 3.54Å; C69-R94 PolarHBondContact N-O 3.29Å; C69-L95 WeakPolarHBondContact O-CA 3.38Å; C69-L96 CarbonylContact C-O 3.53Å; C69-L96 PolarHBondContact O-N 3.38Å
70R96.5Very high97.5Very high130 Ų13055.1 Ų55.149%0.49126%0.26SS..SBendtrans-73-42.2172.9-176.4172.671.3-168.30.9112.9M72 L96 D97 E99R70-M72 PolarHBondContact O-N 3.5Å; R70-L96 PolarHBondContact N-O 3.15Å; R70-L96 VanDerWaalsContact N-O 3.16Å; R70-D97 HydrophobicContact CB-CB 4.46Å; R70-D97 WeakPolarHBondContact CD-OD2 3.23Å; R70-D97 HydrophobicContact CG-CB 4.09Å; R70-D97 IonicContact NH1-OD1 2.98Å; R70-D97 IonicContact NH1-OD2 3.26Å; R70-E99 IonicContact NH1-OE1 2.77Å; R70-E99 PolarHBondContact NH1-OE1 3.04Å
71N96.3Very high97.7Very high83 Ų8353.4 Ų53.444%0.44425%0.254SS..  trans-93.4100.8178.1-175.6-51.4000109.1D73 S74 A75N71-D73 PolarHBondContact OD1-N 2.98Å; N71-S74 WeakPolarHBondContact OD1-CB 3.44Å; N71-S74 PolarHBondContact OD1-N 2.94Å; N71-A75 WeakPolarHBondContact O-CB 3.42Å; N71-A75 PolarHBondContact O-N 2.9Å; N71-A75 VanDerWaalsContact O-N 3.17Å
72M97.5Very high97.9Very high60 Ų6051.2 Ų51.230%0.29625%0.246SC..Hα-helixtrans-65.9-42.7-175.8-69.8-60.5-68.600112.4R70 S74 A75 I76 V93 R94 L95R70-M72 PolarHBondContact O-N 3.5Å; M72-S74 VanDerWaalsContact C-N 3.34Å; M72-S74 PolarHBondContact O-N 3.41Å; M72-A75 CarbonylContact O-C 3.56Å; M72-A75 PolarHBondContact O-N 3.47Å; M72-I76 VanDerWaalsContact O-CG1 3.3Å; M72-I76 WeakPolarHBondContact O-CG1 3.39Å; M72-I76 PolarHBondContact O-N 3.35Å; M72-V93 HydrophobicContact CE-CB 4.26Å; M72-V93 HydrophobicContact CE-CG1 3.58Å; M72-V93 HydrophobicContact SD-CG1 3.87Å; M72-R94 VanDerWaalsContact SD-C 3.54Å; M72-L95 HydrophobicContact CG-CB 4.45Å; M72-L95 HydrophobicContact CG-CD1 4.31Å; M72-L95 VanDerWaalsContact SD-CA 3.55Å; M72-L95 HydrophobicContact SD-CB 4.03Å; M72-L95 PolarHBondContact SD-N 3.04Å; M72-L95 VanDerWaalsContact SD-N 3.35Å
73D98Very high98Very high114 Ų11448.2 Ų48.261%0.6123%0.23SC*.Hα-helixtrans-59.9-44.8-179.9-57-29.5000111.9N71 A75 I76 K77N71-D73 PolarHBondContact OD1-N 2.98Å; D73-A75 VanDerWaalsContact C-N 3.28Å; D73-A75 PolarHBondContact O-N 2.93Å; D73-I76 PolarHBondContact O-N 3.28Å; D73-K77 WeakPolarHBondContact O-CG 3.36Å; D73-K77 PolarHBondContact O-N 2.87Å; D73-K77 VanDerWaalsContact O-N 3.09Å
74S97Very high98Very high40 Ų4053.2 Ų53.228%0.2827%0.266SS..Hα-helixtrans-63.8-36175.9177.60000111.8N47 N71 M72 V78N47-S74 PolarHBondContact ND2-OG 3.46Å; N71-S74 WeakPolarHBondContact OD1-CB 3.44Å; N71-S74 PolarHBondContact OD1-N 2.94Å; M72-S74 VanDerWaalsContact C-N 3.34Å; M72-S74 PolarHBondContact O-N 3.41Å; S74-V78 WeakPolarHBondContact O-CG2 3.38Å; S74-V78 PolarHBondContact O-N 3.46Å
75A97.7Very high98Very high0 Ų054.8 Ų54.80%028%0.277CS..Hα-helixtrans-76.5-35.1-179.600000112.3N47 C69 N71 M72 D73 V78 K79 V93N47-A75 HydrophobicContact CB-CB 3.97Å; C69-A75 HydrophobicContact CB-CB 3.54Å; N71-A75 WeakPolarHBondContact O-CB 3.42Å; N71-A75 PolarHBondContact O-N 2.9Å; N71-A75 VanDerWaalsContact O-N 3.17Å; M72-A75 CarbonylContact O-C 3.56Å; M72-A75 PolarHBondContact O-N 3.47Å; D73-A75 VanDerWaalsContact C-N 3.28Å; D73-A75 PolarHBondContact O-N 2.93Å; A75-V78 PolarHBondContact O-N 3.4Å; A75-K79 PolarHBondContact O-N 2.99Å; A75-V93 HydrophobicContact CB-CG1 3.39Å; A75-V93 HydrophobicContact CB-CG2 4.39Å
76I98.5Very high98Very high67 Ų6756.6 Ų56.634%0.34429%0.288SS..Hα-helixtrans-62.3-47172.7-69.9164.5000110.1M72 D73 V78 K79 E80M72-I76 VanDerWaalsContact O-CG1 3.3Å; M72-I76 WeakPolarHBondContact O-CG1 3.39Å; M72-I76 PolarHBondContact O-N 3.35Å; D73-I76 PolarHBondContact O-N 3.28Å; I76-V78 VanDerWaalsContact C-N 3.28Å; I76-V78 PolarHBondContact O-N 3.42Å; I76-K79 WeakPolarHBondContact O-CB 3.37Å; I76-K79 PolarHBondContact O-N 3.2Å; I76-E80 WeakPolarHBondContact O-CG 3.28Å; I76-E80 PolarHBondContact O-N 3.46Å
77K98.4Very high98Very high144 Ų14459 Ų5963%0.62631%0.312SS*.Hα-helixtrans-57-41.6174.7-72.2175.5-178.1-179.40112.5D73 E80 E81D73-K77 WeakPolarHBondContact O-CG 3.36Å; D73-K77 PolarHBondContact O-N 2.87Å; D73-K77 VanDerWaalsContact O-N 3.09Å; K77-E80 PolarHBondContact O-N 3.48Å; K77-E81 WeakPolarHBondContact O-CB 3.46Å; K77-E81 PolarHBondContact O-N 3.21Å
78V98.1Very high97.9Very high7 Ų759.2 Ų59.24%0.04231%0.313CS..Hα-helixtrans-65.7-41.6175.8165.50000111.8N47 R52 L67 S74 A75 I76 E81 I82N47-V78 WeakPolarHBondContact O-CG2 3.37Å; R52-V78 HydrophobicContact CB-CG1 4.44Å; R52-V78 HydrophobicContact CG-CG1 3.76Å; R52-V78 HydrophobicContact CG-CG2 4.12Å; L67-V78 HydrophobicContact CD1-CG1 4.31Å; S74-V78 WeakPolarHBondContact O-CG2 3.38Å; S74-V78 PolarHBondContact O-N 3.46Å; A75-V78 PolarHBondContact O-N 3.4Å; I76-V78 VanDerWaalsContact C-N 3.28Å; I76-V78 PolarHBondContact O-N 3.42Å; V78-E81 PolarHBondContact O-N 3.49Å; V78-I82 HydrophobicContact CG1-CD1 3.58Å; V78-I82 HydrophobicContact CG1-CG1 4.27Å; V78-I82 WeakPolarHBondContact O-CB 3.25Å; V78-I82 VanDerWaalsContact O-CG1 3.27Å; V78-I82 WeakPolarHBondContact O-CG1 3.31Å; V78-I82 PolarHBondContact O-N 3.04Å
79K98.6Very high97.8Very high73 Ų7366.1 Ų66.132%0.31735%0.345SS..Hα-helixtrans-58.2-49.5174.1163.4-179.5168.7165.90110.8A75 I76 E81 I82 T83 I91 V93A75-K79 PolarHBondContact O-N 2.99Å; I76-K79 WeakPolarHBondContact O-CB 3.37Å; I76-K79 PolarHBondContact O-N 3.2Å; K79-E81 PolarHBondContact O-N 3.44Å; K79-I82 PolarHBondContact O-N 3.41Å; K79-T83 VanDerWaalsContact O-CB 3.31Å; K79-T83 WeakPolarHBondContact O-CB 3.39Å; K79-T83 PolarHBondContact O-N 3.21Å; K79-T83 PolarHBondContact O-OG1 2.82Å; K79-I91 HydrophobicContact CB-CG2 4.03Å; K79-I91 HydrophobicContact CD-CG2 4.33Å; K79-I91 VanDerWaalsContact CD-O 3.3Å; K79-I91 WeakPolarHBondContact CD-O 3.34Å; K79-I91 WeakPolarHBondContact CE-O 3.46Å; K79-I91 HydrophobicContact CG-CB 4.13Å; K79-I91 HydrophobicContact CG-CG2 3.86Å; K79-I91 PolarHBondContact NZ-O 3.28Å; K79-V93 HydrophobicContact CB-CG2 3.77Å; K79-V93 HydrophobicContact CD-CG2 3.98Å; K79-V93 HydrophobicContact CG-CG2 4.46Å
80E98.6Very high97.8Very high118 Ų11870.4 Ų70.455%0.55137%0.368SS*.Hα-helixtrans-60.5-46.7-178.7-71.3167.7174.400111I76 K77 T83 S84I76-E80 WeakPolarHBondContact O-CG 3.28Å; I76-E80 PolarHBondContact O-N 3.46Å; K77-E80 PolarHBondContact O-N 3.48Å; E80-T83 PolarHBondContact O-N 2.83Å; E80-S84 WeakPolarHBondContact O-CB 3.35Å; E80-S84 PolarHBondContact O-N 2.73Å
81E98.4Very high97.9Very high79 Ų7964.5 Ų64.537%0.36935%0.346SS..Hα-helixtrans-59.7-50.8176.9-175.6-175.7-166.900112.1R52 K77 V78 K79 T83 S84 L85R52-E81 IonicContact CZ-OE1 3.8Å; R52-E81 IonicContact CZ-OE2 2.75Å; R52-E81 VanDerWaalsContact CZ-OE2 3.26Å; R52-E81 IonicContact NE-OE2 3.21Å; R52-E81 PolarHBondContact NE-OE2 3.14Å; R52-E81 IonicContact NH2-OE1 3.76Å; R52-E81 PolarHBondContact NH2-OE1 2.65Å; R52-E81 IonicContact NH2-OE2 2.84Å; R52-E81 PolarHBondContact NH2-OE2 3.08Å; K77-E81 WeakPolarHBondContact O-CB 3.46Å; K77-E81 PolarHBondContact O-N 3.21Å; V78-E81 PolarHBondContact O-N 3.49Å; K79-E81 PolarHBondContact O-N 3.44Å; E81-T83 VanDerWaalsContact C-N 3.34Å; E81-T83 PolarHBondContact O-N 3.24Å; E81-S84 PolarHBondContact O-N 3.38Å; E81-L85 HydrophobicContact CG-CD1 3.97Å; E81-L85 WeakPolarHBondContact O-CG 3.26Å; E81-L85 PolarHBondContact O-N 2.81Å
82I98.5Very high97.9Very high1 Ų161.6 Ų61.61%0.00533%0.333CS..Hα-helixtrans-64-42.2-180-67.3171.4000110.5A55 F56 A59 V78 K79 S84 L85 T86 I91A55-I82 HydrophobicContact CB-CD1 3.71Å; F56-I82 HydrophobicContact CB-CD1 4.3Å; F56-I82 HydrophobicContact CB-CG1 4.26Å; F56-I82 HydrophobicContact CD2-CG1 4.42Å; A59-I82 HydrophobicContact CB-CG2 3.32Å; V78-I82 HydrophobicContact CG1-CD1 3.58Å; V78-I82 HydrophobicContact CG1-CG1 4.27Å; V78-I82 WeakPolarHBondContact O-CB 3.25Å; V78-I82 VanDerWaalsContact O-CG1 3.27Å; V78-I82 WeakPolarHBondContact O-CG1 3.31Å; V78-I82 PolarHBondContact O-N 3.04Å; K79-I82 PolarHBondContact O-N 3.41Å; I82-S84 VanDerWaalsContact C-N 3.32Å; I82-S84 PolarHBondContact O-N 3.39Å; I82-L85 PolarHBondContact O-N 3.38Å; I82-T86 HydrophobicContact CG2-CG2 4.16Å; I82-T86 WeakPolarHBondContact O-CB 3.44Å; I82-T86 WeakPolarHBondContact O-CG2 3.4Å; I82-T86 PolarHBondContact O-N 3.43Å; I82-T86 PolarHBondContact O-OG1 2.92Å; I82-I91 HydrophobicContact CB-CD1 4.04Å; I82-I91 HydrophobicContact CG2-CD1 3.47Å; I82-I91 VanDerWaalsContact CG2-CD1 3.47Å
83T98.5Very high98Very high20 Ų2059.4 Ų59.412%0.12332%0.323CS..Hα-helixtrans-56.6-48.9175.5-55.60000110.3K79 E80 E81 L85 T86 G87 H89K79-T83 VanDerWaalsContact O-CB 3.31Å; K79-T83 WeakPolarHBondContact O-CB 3.39Å; K79-T83 PolarHBondContact O-N 3.21Å; K79-T83 PolarHBondContact O-OG1 2.82Å; E80-T83 PolarHBondContact O-N 2.83Å; E81-T83 VanDerWaalsContact C-N 3.34Å; E81-T83 PolarHBondContact O-N 3.24Å; T83-L85 VanDerWaalsContact C-N 3.32Å; T83-L85 PolarHBondContact O-N 3.12Å; T83-T86 PolarHBondContact O-N 3.1Å; T83-G87 WeakPolarHBondContact O-CA 3.39Å; T83-G87 PolarHBondContact O-N 3.34Å; T83-H89 WeakPolarHBondContact CG2-ND1 3.22Å
84S98.5Very high98Very high106 Ų10658.7 Ų58.774%0.74131%0.311SS*.Hα-helixtrans-62.5-36.4179.8-177.70000113.1E80 E81 I82E80-S84 WeakPolarHBondContact O-CB 3.35Å; E80-S84 PolarHBondContact O-N 2.73Å; E81-S84 PolarHBondContact O-N 3.38Å; I82-S84 VanDerWaalsContact C-N 3.32Å; I82-S84 PolarHBondContact O-N 3.39Å
85L98.1Very high98Very high107 Ų10760.5 Ų60.556%0.5632%0.317SS*.Hα-helixtrans-83-22.7-176.9-69.3171.9000113.7F56 E81 I82 T83F56-L85 HydrophobicContact CD2-CD1 4.44Å; F56-L85 HydrophobicContact CE2-CB 3.89Å; F56-L85 HydrophobicContact CE2-CD1 3.98Å; E81-L85 HydrophobicContact CG-CD1 3.97Å; E81-L85 WeakPolarHBondContact O-CG 3.26Å; E81-L85 PolarHBondContact O-N 2.81Å; I82-L85 PolarHBondContact O-N 3.38Å; T83-L85 VanDerWaalsContact C-N 3.32Å; T83-L85 PolarHBondContact O-N 3.12Å
86T97.2Very high98.1Very high38 Ų3860.9 Ų60.923%0.23332%0.319CS..Hα-helixtrans-117.9-16.3-171.264.50000113.8F56 A59 K60 I82 T83 N88F56-T86 HydrophobicContact CD2-CG2 3.98Å; F56-T86 HydrophobicContact CE2-CG2 3.83Å; A59-T86 HydrophobicContact CB-CG2 4.16Å; K60-T86 HydrophobicContact CG-CG2 3.65Å; I82-T86 HydrophobicContact CG2-CG2 4.16Å; I82-T86 WeakPolarHBondContact O-CB 3.44Å; I82-T86 WeakPolarHBondContact O-CG2 3.4Å; I82-T86 PolarHBondContact O-N 3.43Å; I82-T86 PolarHBondContact O-OG1 2.92Å; T83-T86 PolarHBondContact O-N 3.1Å; T86-N88 PolarHBondContact O-N 2.85Å; T86-N88 WeakPolarHBondContact OG1-CB 2.77Å; T86-N88 PolarHBondContact OG1-N 2.76Å
87G97.8Very high98.1Very high49 Ų4959.1 Ų59.151%0.50531%0.31SS..  trans69.43-170.100000113.9T83 H89T83-G87 WeakPolarHBondContact O-CA 3.39Å; T83-G87 PolarHBondContact O-N 3.34Å; G87-H89 PolarHBondContact O-CD2 3.45Å; G87-H89 PolarHBondContact O-N 3.12Å
88N97.2Very high98.1Very high5 Ų552.7 Ų52.73%0.02728%0.283CS..  trans-85.7106.5-178.4-175.9-8.7000110.8A59 W63 T86 N90 I91A59-N88 WeakPolarHBondContact CA-ND2 3.38Å; A59-N88 HydrophobicContact CB-CB 4.35Å; A59-N88 PolarHBondContact O-ND2 2.96Å; W63-N88 PolarHBondContact O-ND2 2.81Å; T86-N88 PolarHBondContact O-N 2.85Å; T86-N88 WeakPolarHBondContact OG1-CB 2.77Å; T86-N88 PolarHBondContact OG1-N 2.76Å; N88-N90 VanDerWaalsContact OD1-CB 3.31Å; N88-N90 WeakPolarHBondContact OD1-CB 3.44Å; N88-N90 PolarHBondContact OD1-N 3.34Å; N88-I91 WeakPolarHBondContact O-CD1 3.48Å
89H97.4Very high98Very high146 Ų14652.8 Ų52.868%0.67628%0.283SS*.  trans-84.7-5.4178.4-65.8-85.6000114T83 G87 I91T83-H89 WeakPolarHBondContact CG2-ND1 3.22Å; G87-H89 PolarHBondContact O-CD2 3.45Å; G87-H89 PolarHBondContact O-N 3.12Å; H89-I91 PolarHBondContact O-N 2.9Å
90N97Very high98Very high92 Ų9250.6 Ų50.649%0.49228%0.275SS..  trans-80.642.4-177.1-63.6-51.2000112.7K64 L65 N88K64-N90 CarbonylContact C-O 3.52Å; K64-N90 VanDerWaalsContact CA-O 3.32Å; K64-N90 WeakPolarHBondContact CA-O 3.47Å; K64-N90 HydrophobicContact CB-CB 4.21Å; K64-N90 HydrophobicContact CG-CB 4.33Å; L65-N90 PolarHBondContact N-O 3.18Å; N88-N90 VanDerWaalsContact OD1-CB 3.31Å; N88-N90 WeakPolarHBondContact OD1-CB 3.44Å; N88-N90 PolarHBondContact OD1-N 3.34Å
91I98Very high97.9Very high5 Ų546.4 Ų46.43%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-117.1121.5-177-52.8177.9000109A59 L65 L67 K79 I82 N88 H89A59-I91 HydrophobicContact CB-CD1 4.08Å; L65-I91 HydrophobicContact CB-CG1 4.32Å; L65-I91 HydrophobicContact CB-CG2 4.24Å; L65-I91 HydrophobicContact CD1-CD1 4.29Å; L65-I91 HydrophobicContact CD1-CG1 4.18Å; L65-I91 HydrophobicContact CG-CG1 4.47Å; L67-I91 HydrophobicContact CD1-CG2 3.83Å; L67-I91 HydrophobicContact CG-CG2 3.97Å; K79-I91 HydrophobicContact CB-CG2 4.03Å; K79-I91 HydrophobicContact CD-CG2 4.33Å; K79-I91 VanDerWaalsContact CD-O 3.3Å; K79-I91 WeakPolarHBondContact CD-O 3.34Å; K79-I91 WeakPolarHBondContact CE-O 3.46Å; K79-I91 HydrophobicContact CG-CB 4.13Å; K79-I91 HydrophobicContact CG-CG2 3.86Å; K79-I91 PolarHBondContact NZ-O 3.28Å; I82-I91 HydrophobicContact CB-CD1 4.04Å; I82-I91 HydrophobicContact CG2-CD1 3.47Å; I82-I91 VanDerWaalsContact CG2-CD1 3.47Å; N88-I91 WeakPolarHBondContact O-CD1 3.48Å; H89-I91 PolarHBondContact O-N 2.9Å
92S97.8Very high97.8Very high23 Ų2347.2 Ų47.216%0.16126%0.261CS..EExtended strand (participates in β ladder)trans-115148.4174.271.90000110.5L65 T66 L67L65-S92 PolarHBondContact O-N 2.81Å; L65-S92 PolarHBondContact O-OG 3.15Å; T66-S92 PolarHBondContact OG1-OG 3Å; L67-S92 PolarHBondContact N-O 3.32Å
93V98.3Very high97.8Very high14 Ų1447.8 Ų47.89%0.08527%0.265CS..EExtended strand (participates in β ladder)trans-116138.3174.8-176.90000107.6L67 M72 A75 K79L67-V93 HydrophobicContact CB-CG2 4.33Å; L67-V93 HydrophobicContact CD1-CG2 4.41Å; M72-V93 HydrophobicContact CE-CB 4.26Å; M72-V93 HydrophobicContact CE-CG1 3.58Å; M72-V93 HydrophobicContact SD-CG1 3.87Å; A75-V93 HydrophobicContact CB-CG1 3.39Å; A75-V93 HydrophobicContact CB-CG2 4.39Å; K79-V93 HydrophobicContact CB-CG2 3.77Å; K79-V93 HydrophobicContact CD-CG2 3.98Å; K79-V93 HydrophobicContact CG-CG2 4.46Å
94R97.9Very high97.8Very high99 Ų9946.8 Ų46.837%0.37426%0.259SS..EExtended strand (participates in β ladder)trans-140144.5178.6-67.2-70.5-175.3-99.15109.8T66 L67 G68 C69 M72 L96 F107T66-R94 HydrophobicContact CG2-CB 4.42Å; T66-R94 HydrophobicContact CG2-CG 4.03Å; L67-R94 PolarHBondContact O-N 3.23Å; G68-R94 WeakPolarHBondContact CA-O 3.33Å; C69-R94 PolarHBondContact N-O 3.29Å; M72-R94 VanDerWaalsContact SD-C 3.54Å; R94-L96 PolarHBondContact O-N 2.75Å; R94-F107 HydrophobicContact CB-CD2 3.57Å; R94-F107 HydrophobicContact CB-CE2 3.59Å; R94-F107 HydrophobicContact CG-CE2 4.44Å
95L98.3Very high97.8Very high78 Ų7846.5 Ų46.541%0.40824%0.244SC..EExtended strand (participates in β ladder)trans-63.8126.5174.9177.764.4000108.7C69 M72 T103 F107C69-L95 WeakPolarHBondContact O-CA 3.38Å; M72-L95 HydrophobicContact CG-CB 4.45Å; M72-L95 HydrophobicContact CG-CD1 4.31Å; M72-L95 VanDerWaalsContact SD-CA 3.55Å; M72-L95 HydrophobicContact SD-CB 4.03Å; M72-L95 PolarHBondContact SD-N 3.04Å; M72-L95 VanDerWaalsContact SD-N 3.35Å; L95-T103 HydrophobicContact CD2-CG2 4.11Å; L95-T103 HydrophobicContact CG-CG2 4.45Å; L95-F107 WeakPolarHBondContact O-CD2 3.47Å
96L98.6Very high97.8Very high7 Ų745.1 Ų45.14%0.03724%0.235CC..  trans-145102.5171.5179.463.3000108.3T44 C69 R70 R94 L98 I104 F107 L152T44-L96 HydrophobicContact CG2-CD2 3.62Å; C69-L96 CarbonylContact C-O 3.53Å; C69-L96 PolarHBondContact O-N 3.38Å; R70-L96 PolarHBondContact N-O 3.15Å; R70-L96 VanDerWaalsContact N-O 3.16Å; R94-L96 PolarHBondContact O-N 2.75Å; L96-L98 HydrophobicContact CD1-CD2 4.27Å; L96-L98 HydrophobicContact CD2-CD2 4.31Å; L96-L98 HydrophobicContact CG-CD2 4.29Å; L96-L98 HydrophobicContact CG-CG 4.36Å; L96-I104 HydrophobicContact CD1-CB 4.41Å; L96-I104 HydrophobicContact CD1-CG1 3.91Å; L96-F107 HydrophobicContact CB-CD2 3.78Å; L96-F107 HydrophobicContact CB-CE2 4.07Å; L96-F107 HydrophobicContact CB-CG 4.26Å; L96-F107 HydrophobicContact CD1-CB 4.01Å; L96-F107 HydrophobicContact CD1-CD1 4.19Å; L96-F107 HydrophobicContact CD1-CD2 4.33Å; L96-F107 HydrophobicContact CD1-CG 3.93Å; L96-F107 HydrophobicContact CD2-CD1 4.43Å; L96-F107 HydrophobicContact CD2-CD2 4.43Å; L96-F107 HydrophobicContact CD2-CE1 4.25Å; L96-F107 HydrophobicContact CD2-CE2 4.25Å; L96-F107 HydrophobicContact CD2-CZ 4.16Å; L96-F107 HydrophobicContact CG-CD2 4.4Å; L96-F107 HydrophobicContact CG-CG 4.46Å; L96-L152 HydrophobicContact CD2-CD2 4.12Å
97D98.1Very high97.8Very high30 Ų3043.6 Ų43.616%0.1623%0.225CC..  trans-100.2107166-168.5-10000108.6R70 E99 N100 T103R70-D97 HydrophobicContact CB-CB 4.46Å; R70-D97 WeakPolarHBondContact CD-OD2 3.23Å; R70-D97 HydrophobicContact CG-CB 4.09Å; R70-D97 IonicContact NH1-OD1 2.98Å; R70-D97 IonicContact NH1-OD2 3.26Å; D97-E99 PolarHBondContact O-N 2.96Å; D97-E99 VanDerWaalsContact O-N 3.12Å; D97-E99 WeakPolarHBondContact OD1-CB 2.98Å; D97-E99 PolarHBondContact OD1-N 3.29Å; D97-N100 HydrophobicContact CB-CB 4.17Å; D97-N100 PolarHBondContact O-N 2.95Å; D97-T103 HydrophobicContact CB-CG2 4.41Å; D97-T103 PolarHBondContact N-OG1 3Å; D97-T103 PolarHBondContact O-OG1 3.36Å
98L98.5Very high97.8Very high9 Ų941.7 Ų41.75%0.04720%0.204CC..THydrogen-bonded Turntrans-65.9-12.7-180-70.5167.3000113L96 I104 A122 F135 T144 G148 H149 L152L96-L98 HydrophobicContact CD1-CD2 4.27Å; L96-L98 HydrophobicContact CD2-CD2 4.31Å; L96-L98 HydrophobicContact CG-CD2 4.29Å; L96-L98 HydrophobicContact CG-CG 4.36Å; L98-I104 HydrophobicContact CD2-CD1 4.49Å; L98-A122 HydrophobicContact CD1-CB 3.44Å; L98-A122 VanDerWaalsContact CD1-CB 3.44Å; L98-F135 WeakPolarHBondContact O-CE2 3.27Å; L98-T144 HydrophobicContact CB-CG2 4.32Å; L98-T144 HydrophobicContact CD1-CG2 4.42Å; L98-G148 VanDerWaalsContact O-CA 3.28Å; L98-G148 WeakPolarHBondContact O-CA 2.76Å; L98-H149 VanDerWaalsContact CD1-NE2 3.31Å; L98-H149 WeakPolarHBondContact CD1-NE2 3.22Å; L98-L152 HydrophobicContact CD2-CD2 4.35Å
99E97.2Very high97.8Very high10 Ų1047.8 Ų47.85%0.04723%0.232CC..THydrogen-bonded Turntrans-78.7-22.8169.5-61.2-178.9-114.700111.8R70 D97 P101 R130 Y134 F135 V140 T144R70-E99 IonicContact NH1-OE1 2.77Å; R70-E99 PolarHBondContact NH1-OE1 3.04Å; D97-E99 PolarHBondContact O-N 2.96Å; D97-E99 VanDerWaalsContact O-N 3.12Å; D97-E99 WeakPolarHBondContact OD1-CB 2.98Å; D97-E99 PolarHBondContact OD1-N 3.29Å; E99-P101 WeakPolarHBondContact O-CD 3.49Å; E99-R130 VanDerWaalsContact CD-NH2 3.28Å; E99-R130 IonicContact OE1-CZ 2.61Å; E99-R130 IonicContact OE1-NH2 3.56Å; E99-R130 PolarHBondContact OE1-NH2 3.27Å; E99-R130 IonicContact OE2-CZ 3.76Å; E99-R130 VanDerWaalsContact OE2-CZ 3.26Å; E99-R130 IonicContact OE2-NH1 3.61Å; E99-R130 PolarHBondContact OE2-NH1 3.22Å; E99-R130 IonicContact OE2-NH2 3.74Å; E99-R130 PolarHBondContact OE2-NH2 2.97Å; E99-Y134 HydrophobicContact CB-CD2 4.4Å; E99-Y134 WeakPolarHBondContact O-CB 3.17Å; E99-Y134 VanDerWaalsContact O-CD2 3.3Å; E99-Y134 WeakPolarHBondContact O-CD2 3.36Å; E99-F135 WeakPolarHBondContact O-CD2 3.36Å; E99-F135 WeakPolarHBondContact O-CE2 3.5Å; E99-V140 HydrophobicContact CG-CG2 4.18Å; E99-V140 WeakPolarHBondContact OE2-CG2 3.31Å; E99-T144 WeakPolarHBondContact CG-OG1 3.39Å
100N97.6Very high97.6Very high27 Ų2746.9 Ų46.914%0.14423%0.226CC..  trans-112106.9-172.4-175.3-20.5000112.3D97 Q102 T103 I104 Y134D97-N100 HydrophobicContact CB-CB 4.17Å; D97-N100 PolarHBondContact O-N 2.95Å; N100-Q102 PolarHBondContact O-N 3.22Å; N100-Q102 VanDerWaalsContact O-N 3.13Å; N100-Q102 WeakPolarHBondContact OD1-CB 3.39Å; N100-Q102 PolarHBondContact OD1-N 3.15Å; N100-T103 HydrophobicContact CB-CG2 3.99Å; N100-T103 PolarHBondContact O-N 3.45Å; N100-T103 VanDerWaalsContact O-N 3.11Å; N100-T103 PolarHBondContact O-OG1 2.9Å; N100-I104 PolarHBondContact O-N 3.39Å; N100-Y134 HydrophobicContact CB-CD1 4.44Å; N100-Y134 HydrophobicContact CB-CD2 3.84Å; N100-Y134 HydrophobicContact CB-CE1 4.34Å; N100-Y134 HydrophobicContact CB-CE2 3.72Å; N100-Y134 HydrophobicContact CB-CG 4.22Å; N100-Y134 VanDerWaalsContact ND2-CZ 3.3Å; N100-Y134 PolarHBondContact ND2-OH 3.15Å
101P97.2Very high97.5Very high30 Ų3043 Ų4320%0.19521%0.206CC..Hα-helixtrans-52.5-34.7179-2834.4000115E99 I104 K105 F135 Y151E99-P101 WeakPolarHBondContact O-CD 3.49Å; P101-I104 PolarHBondContact O-N 2.92Å; P101-K105 WeakPolarHBondContact O-CG 3.2Å; P101-K105 PolarHBondContact O-N 2.77Å; P101-F135 HydrophobicContact CG-CD1 4.29Å; P101-F135 HydrophobicContact CG-CE1 3.54Å; P101-F135 HydrophobicContact CG-CZ 3.75Å; P101-Y151 HydrophobicContact CB-CD1 4.26Å; P101-Y151 HydrophobicContact CB-CE1 3.78Å
102Q97.3Very high97.3Very high95 Ų9544.3 Ų44.344%0.44421%0.214SC..Hα-helixtrans-66.3-43.9-178.7-176.757.726.800110.9N100 I104 K105 E106N100-Q102 PolarHBondContact O-N 3.22Å; N100-Q102 VanDerWaalsContact O-N 3.13Å; N100-Q102 WeakPolarHBondContact OD1-CB 3.39Å; N100-Q102 PolarHBondContact OD1-N 3.15Å; Q102-I104 PolarHBondContact O-N 3.38Å; Q102-K105 PolarHBondContact O-N 2.9Å; Q102-E106 WeakPolarHBondContact CG-OE1 3.46Å; Q102-E106 PolarHBondContact NE2-OE1 3.24Å; Q102-E106 WeakPolarHBondContact O-CG 3.49Å; Q102-E106 PolarHBondContact O-N 2.95Å
103T98Very high97.1Very high13 Ų1346.4 Ų46.48%0.0822%0.223CC..Hα-helixtrans-65.6-31.6176.773.80000111.8L95 D97 N100 F107L95-T103 HydrophobicContact CD2-CG2 4.11Å; L95-T103 HydrophobicContact CG-CG2 4.45Å; D97-T103 HydrophobicContact CB-CG2 4.41Å; D97-T103 PolarHBondContact N-OG1 3Å; D97-T103 PolarHBondContact O-OG1 3.36Å; N100-T103 HydrophobicContact CB-CG2 3.99Å; N100-T103 PolarHBondContact O-N 3.45Å; N100-T103 VanDerWaalsContact O-N 3.11Å; N100-T103 PolarHBondContact O-OG1 2.9Å; T103-F107 WeakPolarHBondContact O-CB 3.33Å; T103-F107 PolarHBondContact O-N 3.48Å
104I98.5Very high97Very high0 Ų047.6 Ų47.60%023%0.232CC..Hα-helixtrans-67-44.9175.6-59.1169.5000110.2L96 L98 N100 P101 Q102 F107 V108 Y151 L152 L155L96-I104 HydrophobicContact CD1-CB 4.41Å; L96-I104 HydrophobicContact CD1-CG1 3.91Å; L98-I104 HydrophobicContact CD2-CD1 4.49Å; N100-I104 PolarHBondContact O-N 3.39Å; P101-I104 PolarHBondContact O-N 2.92Å; Q102-I104 PolarHBondContact O-N 3.38Å; I104-F107 PolarHBondContact O-N 2.79Å; I104-V108 WeakPolarHBondContact O-CG2 3.45Å; I104-V108 PolarHBondContact O-N 3.33Å; I104-V108 VanDerWaalsContact O-N 3.08Å; I104-Y151 HydrophobicContact CB-CD1 3.93Å; I104-Y151 HydrophobicContact CB-CE1 4.29Å; I104-Y151 HydrophobicContact CD1-CD1 3.84Å; I104-Y151 HydrophobicContact CG1-CD1 4.49Å; I104-Y151 HydrophobicContact CG2-CD1 3.77Å; I104-Y151 HydrophobicContact CG2-CE1 4.34Å; I104-L152 HydrophobicContact CG2-CB 3.83Å; I104-L152 HydrophobicContact CG2-CD1 4.02Å; I104-L155 HydrophobicContact CG2-CD1 4.17Å
105K97.8Very high97Very high99 Ų9942.9 Ų42.943%0.4321%0.214SC..Hα-helixtrans-59.4-50.1175.7-71.3177.7-177.8-179.90111.9P101 Q102 F107 V108 Q109 Y151 L155P101-K105 WeakPolarHBondContact O-CG 3.2Å; P101-K105 PolarHBondContact O-N 2.77Å; Q102-K105 PolarHBondContact O-N 2.9Å; K105-F107 VanDerWaalsContact C-N 3.33Å; K105-F107 PolarHBondContact O-N 2.96Å; K105-V108 PolarHBondContact O-N 2.9Å; K105-Q109 WeakPolarHBondContact O-CB 3.26Å; K105-Q109 PolarHBondContact O-N 2.93Å; K105-Y151 WeakPolarHBondContact CE-OH 3.33Å; K105-Y151 HydrophobicContact CG-CE1 4.17Å; K105-L155 HydrophobicContact CG-CD1 3.89Å
106E97.7Very high96.9Very high79 Ų7940.2 Ų40.237%0.36920%0.199SC..Hα-helixtrans-61.4-42.6179.1-71.9168.6-169.300111.3Q102 V108 Q109 F110Q102-E106 WeakPolarHBondContact CG-OE1 3.46Å; Q102-E106 PolarHBondContact NE2-OE1 3.24Å; Q102-E106 WeakPolarHBondContact O-CG 3.49Å; Q102-E106 PolarHBondContact O-N 2.95Å; E106-V108 VanDerWaalsContact C-N 3.32Å; E106-V108 PolarHBondContact O-N 2.82Å; E106-Q109 PolarHBondContact O-N 3.4Å; E106-F110 WeakPolarHBondContact O-CD2 3.31Å; E106-F110 PolarHBondContact O-N 3.26Å
107F98.2Very high96.9Very high5 Ų539.9 Ų39.92%0.02220%0.197CC..Hα-helixtrans-57.1-45.2176.2179.7-90.9000112.1V42 T66 G68 R94 L95 L96 T103 I104 K105 L111 L152V42-F107 HydrophobicContact CG1-CE1 3.71Å; V42-F107 HydrophobicContact CG1-CZ 3.63Å; T66-F107 HydrophobicContact CG2-CE2 3.96Å; T66-F107 HydrophobicContact CG2-CZ 3.85Å; G68-F107 VanDerWaalsContact CA-CE2 3.45Å; R94-F107 HydrophobicContact CB-CD2 3.57Å; R94-F107 HydrophobicContact CB-CE2 3.59Å; R94-F107 HydrophobicContact CG-CE2 4.44Å; L95-F107 WeakPolarHBondContact O-CD2 3.47Å; L96-F107 HydrophobicContact CB-CD2 3.78Å; L96-F107 HydrophobicContact CB-CE2 4.07Å; L96-F107 HydrophobicContact CB-CG 4.26Å; L96-F107 HydrophobicContact CD1-CB 4.01Å; L96-F107 HydrophobicContact CD1-CD1 4.19Å; L96-F107 HydrophobicContact CD1-CD2 4.33Å; L96-F107 HydrophobicContact CD1-CG 3.93Å; L96-F107 HydrophobicContact CD2-CD1 4.43Å; L96-F107 HydrophobicContact CD2-CD2 4.43Å; L96-F107 HydrophobicContact CD2-CE1 4.25Å; L96-F107 HydrophobicContact CD2-CE2 4.25Å; L96-F107 HydrophobicContact CD2-CZ 4.16Å; L96-F107 HydrophobicContact CG-CD2 4.4Å; L96-F107 HydrophobicContact CG-CG 4.46Å; T103-F107 WeakPolarHBondContact O-CB 3.33Å; T103-F107 PolarHBondContact O-N 3.48Å; I104-F107 PolarHBondContact O-N 2.79Å; K105-F107 VanDerWaalsContact C-N 3.33Å; K105-F107 PolarHBondContact O-N 2.96Å; F107-L111 HydrophobicContact CD1-CD1 3.84Å; F107-L111 HydrophobicContact CE1-CD1 3.27Å; F107-L111 HydrophobicContact CZ-CD1 3.72Å; F107-L152 HydrophobicContact CD1-CD1 3.81Å; F107-L152 HydrophobicContact CE1-CD1 4.09Å
108V97.7Very high96.9Very high9 Ų938.4 Ų38.46%0.05519%0.19CC..Hα-helixtrans-68-41.7178.4172.40000111.8I104 K105 E106 F110 L111 L152 L155 L156 Y159I104-V108 WeakPolarHBondContact O-CG2 3.45Å; I104-V108 PolarHBondContact O-N 3.33Å; I104-V108 VanDerWaalsContact O-N 3.08Å; K105-V108 PolarHBondContact O-N 2.9Å; E106-V108 VanDerWaalsContact C-N 3.32Å; E106-V108 PolarHBondContact O-N 2.82Å; V108-F110 VanDerWaalsContact C-N 3.29Å; V108-F110 PolarHBondContact O-N 3.24Å; V108-L111 WeakPolarHBondContact O-CB 3.39Å; V108-L111 PolarHBondContact O-N 3.02Å; V108-L152 HydrophobicContact CG2-CD1 3.66Å; V108-L155 HydrophobicContact CB-CB 4.46Å; V108-L155 HydrophobicContact CG1-CB 4.24Å; V108-L155 HydrophobicContact CG2-CB 4Å; V108-L156 HydrophobicContact CB-CD2 4.47Å; V108-L156 HydrophobicContact CG1-CD2 3.92Å; V108-L156 HydrophobicContact CG1-CG 4.32Å; V108-L156 HydrophobicContact CG2-CD1 4.49Å; V108-L156 HydrophobicContact CG2-CD2 4.07Å; V108-L156 HydrophobicContact CG2-CG 3.83Å; V108-Y159 HydrophobicContact CG1-CD2 3.98Å; V108-Y159 HydrophobicContact CG1-CE2 3.55Å
109Q96.1Very high96.9Very high133 Ų13338 Ų3862%0.62119%0.187SC*.Hα-helixtrans-59.1-38-178.3-177.3-179.92.200113.1K105 E106K105-Q109 WeakPolarHBondContact O-CB 3.26Å; K105-Q109 PolarHBondContact O-N 2.93Å; E106-Q109 PolarHBondContact O-N 3.4Å
110F93.8Very high97Very high127 Ų12737.6 Ų37.656%0.55719%0.186SC*.THydrogen-bonded Turntrans-101.216.9-176.1-62.1-68000113.8E106 V108E106-F110 WeakPolarHBondContact O-CD2 3.31Å; E106-F110 PolarHBondContact O-N 3.26Å; V108-F110 VanDerWaalsContact C-N 3.29Å; V108-F110 PolarHBondContact O-N 3.24Å
111L95.3Very high97.1Very high12 Ų1237.1 Ų37.16%0.06318%0.183CC..  trans-80.2128.6-175.1-157.4119.3000110.9V42 T66 F107 V108 L113 V115 L156V42-L111 HydrophobicContact CG1-CD1 4.09Å; V42-L111 HydrophobicContact CG2-CD1 3.81Å; V42-L111 HydrophobicContact CG2-CD2 3.73Å; V42-L111 HydrophobicContact CG2-CG 4.21Å; T66-L111 HydrophobicContact CG2-CD1 4.2Å; F107-L111 HydrophobicContact CD1-CD1 3.84Å; F107-L111 HydrophobicContact CE1-CD1 3.27Å; F107-L111 HydrophobicContact CZ-CD1 3.72Å; V108-L111 WeakPolarHBondContact O-CB 3.39Å; V108-L111 PolarHBondContact O-N 3.02Å; L111-L113 HydrophobicContact CD2-CD2 4.44Å; L111-L113 PolarHBondContact O-N 3.46Å; L111-V115 HydrophobicContact CD2-CG2 3.06Å; L111-L156 HydrophobicContact CD2-CD2 4.22Å
112P93.8Very high97Very high31 Ų3136.3 Ų36.320%0.20118%0.179CC..  trans-64.7133.6175.7-19.431.2000111.5H40H40-P112 PolarHBondContact CE1-O 2.87Å; H40-P112 PolarHBondContact ND1-O 3.33Å
113L94.2Very high96.9Very high67 Ų6733.6 Ų33.635%0.35118%0.177SC..SBendtrans-106.4159.2176.6-58.8179000110.9L111 V115 Y159L111-L113 HydrophobicContact CD2-CD2 4.44Å; L111-L113 PolarHBondContact O-N 3.46Å; L113-V115 HydrophobicContact CD2-CG2 3.96Å; L113-Y159 HydrophobicContact CD1-CD1 3.56Å; L113-Y159 HydrophobicContact CD1-CE1 4.19Å; L113-Y159 HydrophobicContact CD1-CG 4.48Å; L113-Y159 HydrophobicContact CD2-CD1 4.16Å; L113-Y159 HydrophobicContact CD2-CG 4.32Å; L113-Y159 HydrophobicContact CG-CD1 4.47Å
114P96.1Very high96.7Very high40 Ų4034 Ų3426%0.2618%0.181SC..  cis-71.4158.2-8.527.4-32.1000112.9H40 S163 T167H40-P114 WeakPolarHBondContact CB-O 3.46Å; H40-P114 PolarHBondContact ND1-O 3.02Å; P114-S163 WeakPolarHBondContact CA-OG 3.22Å; P114-S163 WeakPolarHBondContact CB-OG 3.35Å; P114-T167 HydrophobicContact CB-CG2 4.21Å; P114-T167 HydrophobicContact CG-CG2 3.97Å
115V97.1Very high96.4Very high0 Ų035 Ų350%019%0.185CC..  trans-104.5123.8172.1178.80000108.4V42 L111 L113 L160 S163V42-V115 HydrophobicContact CG2-CG1 3.89Å; V42-V115 HydrophobicContact CG2-CG2 4.16Å; L111-V115 HydrophobicContact CD2-CG2 3.06Å; L113-V115 HydrophobicContact CD2-CG2 3.96Å; V115-L160 HydrophobicContact CB-CD2 3.95Å; V115-L160 HydrophobicContact CG1-CD2 3.78Å; V115-S163 PolarHBondContact N-OG 3.32Å; V115-S163 WeakPolarHBondContact O-CB 3.3Å; V115-S163 PolarHBondContact O-OG 2.99Å
116H96.8Very high95.9Very high21 Ų2131.3 Ų31.310%0.09717%0.171CC..  trans-102.5-29.3-178.9-55.384.9000111.7Q39 H40 P171 R172Q39-H116 HydrophobicContact CB-CB 4.07Å; Q39-H116 HydrophobicContact CG-CB 4.37Å; Q39-H116 VanDerWaalsContact OE1-CB 3.25Å; H40-H116 PolarHBondContact N-ND1 3.07Å; H40-H116 PolarHBondContact O-N 3.32Å; H116-P171 CarbonylContact O-C 3.53Å; H116-P171 VanDerWaalsContact O-CA 3.24Å; H116-P171 WeakPolarHBondContact O-CA 3.27Å; H116-R172 PolarHBondContact O-N 3.34Å
117V97.9Very high95.2Very high0 Ų032.4 Ų32.40%018%0.175CC..EExtended strand (participates in β ladder)trans-138.7126.4177.5-177.50000110.5H40 A41 V42 W63 I119 R172 I174 A286H40-V117 PolarHBondContact O-N 3.11Å; H40-V117 VanDerWaalsContact O-N 3.15Å; A41-V117 CarbonylContact C-O 3.59Å; A41-V117 VanDerWaalsContact CA-O 3.31Å; A41-V117 WeakPolarHBondContact CA-O 3.43Å; A41-V117 HydrophobicContact CB-CB 4.1Å; V42-V117 PolarHBondContact N-O 2.69Å; W63-V117 HydrophobicContact CH2-CG2 3.52Å; W63-V117 HydrophobicContact CZ3-CB 4.01Å; W63-V117 HydrophobicContact CZ3-CG2 3.44Å; W63-V117 VanDerWaalsContact CZ3-CG2 3.44Å; V117-I119 HydrophobicContact CG1-CD1 3.99Å; V117-I119 HydrophobicContact CG1-CG1 3.55Å; V117-R172 CarbonylContact C-O 3.59Å; V117-R172 WeakPolarHBondContact CA-O 3.38Å; V117-R172 HydrophobicContact CG2-CB 4.21Å; V117-R172 HydrophobicContact CG2-CG 4.48Å; V117-I174 HydrophobicContact CG1-CD1 3.76Å; V117-I174 HydrophobicContact CG1-CG1 4.32Å; V117-A286 HydrophobicContact CG1-CB 4.08Å; V117-A286 HydrophobicContact CG2-CB 4.39Å
118L98.7Very high94.6Very high0 Ų038.3 Ų38.30%021%0.206CC..EExtended strand (participates in β ladder)trans-107118.4166.5172.761.7000109.1V42 L152 T153 L156 R172 V173 I174V42-L118 HydrophobicContact CB-CD1 4.02Å; V42-L118 HydrophobicContact CG1-CD1 3.9Å; L118-L152 HydrophobicContact CD1-CD2 4.18Å; L118-T153 HydrophobicContact CD2-CG2 4.25Å; L118-L156 HydrophobicContact CD1-CD1 3.91Å; L118-L156 HydrophobicContact CD2-CD1 3.84Å; L118-L156 HydrophobicContact CG-CD1 4.44Å; L118-R172 PolarHBondContact N-O 2.81Å; L118-V173 HydrophobicContact CD2-CG1 4.38Å; L118-I174 PolarHBondContact O-N 3.47Å
119I98.8Very high94.2Very high0 Ų038.4 Ų38.40%021%0.206CC..EExtended strand (participates in β ladder)trans-108.398.9179.8-47-171.6000109.4V42 I43 T44 T54 L58 V117 N121 I174 V176 I282V42-I119 PolarHBondContact O-N 3.43Å; I43-I119 HydrophobicContact CG1-CB 4.38Å; I43-I119 HydrophobicContact CG1-CD1 4.02Å; I43-I119 HydrophobicContact CG1-CG1 4.35Å; I43-I119 HydrophobicContact CG2-CB 4.36Å; T44-I119 PolarHBondContact N-O 3.49Å; T44-I119 VanDerWaalsContact N-O 3.07Å; T44-I119 PolarHBondContact OG1-O 3.02Å; T54-I119 HydrophobicContact CG2-CD1 3.69Å; L58-I119 HydrophobicContact CD1-CD1 4.02Å; V117-I119 HydrophobicContact CG1-CD1 3.99Å; V117-I119 HydrophobicContact CG1-CG1 3.55Å; I119-N121 HydrophobicContact CG2-CB 3.81Å; I119-N121 PolarHBondContact O-N 3.37Å; I119-I174 HydrophobicContact CG1-CD1 4.4Å; I119-V176 HydrophobicContact CG2-CG2 4.44Å; I119-I282 HydrophobicContact CD1-CG2 3.74Å; I119-I282 HydrophobicContact CG1-CG2 4.49Å; I119-I282 HydrophobicContact CG2-CG2 3.62Å
120N98.8Very high94Very high2 Ų236.9 Ų36.91%0.01119%0.194CC..EExtended strand (participates in β ladder)trans-75.874.9171.6-68.9-33.2000109.3H149 T153 I174 V176N120-H149 HydrophobicContact CB-CB 4.31Å; N120-H149 PolarHBondContact OD1-CD2 3.35Å; N120-T153 PolarHBondContact ND2-OG1 2.84Å; N120-I174 WeakPolarHBondContact CB-O 3.36Å; N120-I174 PolarHBondContact N-O 3.05Å; N120-V176 PolarHBondContact O-N 3.12Å
121N98.3Very high94.1Very high17 Ų1733.1 Ų33.19%0.09118%0.182CC..  trans-100-32.1-173.1158.287.6000114.1I43 T44 G45 G51 I119 V176I43-N121 HydrophobicContact CG2-CB 4.48Å; T44-N121 WeakPolarHBondContact O-CB 3.2Å; T44-N121 PolarHBondContact O-ND2 3.47Å; T44-N121 PolarHBondContact OG1-N 3.38Å; G45-N121 PolarHBondContact O-ND2 3.3Å; G51-N121 VanDerWaalsContact CA-ND2 3.31Å; G51-N121 WeakPolarHBondContact CA-ND2 3.04Å; I119-N121 HydrophobicContact CG2-CB 3.81Å; I119-N121 PolarHBondContact O-N 3.37Å; N121-V176 HydrophobicContact CB-CG2 3.89Å
122A96.7Very high94.1Very high13 Ų1332.5 Ų32.511%0.10718%0.179CC..  trans-54.1148.6-17400000112.2T44 L98 H149T44-A122 PolarHBondContact O-N 3.36Å; T44-A122 WeakPolarHBondContact OG1-CB 3.28Å; T44-A122 PolarHBondContact OG1-N 3Å; L98-A122 HydrophobicContact CD1-CB 3.44Å; L98-A122 VanDerWaalsContact CD1-CB 3.44Å; A122-H149 PolarHBondContact O-CE1 3.4Å; A122-H149 VanDerWaalsContact O-CE1 3.28Å
123G94.9Very high94.2Very high38 Ų3837.2 Ų37.239%0.39220%0.202SC..  trans-158.7144.2177.900000113N145G123-N145 WeakPolarHBondContact CA-OD1 3.47Å
124A92.9Very high94.3Very high21 Ų2139.4 Ų39.417%0.17421%0.206CC..  trans-110.3140.8172.500000110.4T141 T144 N145A124-T141 WeakPolarHBondContact O-CG2 3.44Å; A124-T144 HydrophobicContact CB-CG2 3.98Å; A124-N145 PolarHBondContact N-OD1 2.79Å; A124-N145 PolarHBondContact O-ND2 2.76Å
125F92.2Very high94.3Very high20 Ų2037.6 Ų37.69%0.08819%0.194CC..  trans-143.678.5167.3-172.8-87.7000107.3S203 N204 Y207 L248 F249 T252F125-S203 WeakPolarHBondContact CE2-O 3.23Å; F125-N204 VanDerWaalsContact CZ-OD1 3.29Å; F125-N204 WeakPolarHBondContact CZ-OD1 3.38Å; F125-Y207 HydrophobicContact CB-CD2 4.3Å; F125-Y207 HydrophobicContact CD2-CD1 4.18Å; F125-Y207 AromaticContact CD2-CD2 3.58Å; F125-Y207 HydrophobicContact CD2-CD2 3.58Å; F125-Y207 HydrophobicContact CD2-CE2 4.28Å; F125-Y207 AromaticContact CD2-CG 3.49Å; F125-Y207 HydrophobicContact CD2-CG 3.49Å; F125-Y207 VanDerWaalsContact CD2-CG 3.49Å; F125-Y207 HydrophobicContact CE2-CD1 4.37Å; F125-Y207 HydrophobicContact CE2-CD2 4.45Å; F125-Y207 AromaticContact CE2-CG 3.92Å; F125-Y207 HydrophobicContact CE2-CG 3.92Å; F125-Y207 HydrophobicContact CG-CD2 4.44Å; F125-L248 HydrophobicContact CB-CD1 3.72Å; F125-L248 HydrophobicContact CB-CG 3.83Å; F125-F249 AromaticContact CD1-CD1 3.5Å; F125-F249 HydrophobicContact CD1-CD1 3.5Å; F125-F249 VanDerWaalsContact CD1-CD1 3.5Å; F125-F249 AromaticContact CD1-CE1 3.6Å; F125-F249 HydrophobicContact CD1-CE1 3.6Å; F125-F249 HydrophobicContact CD2-CE1 4.07Å; F125-F249 AromaticContact CE1-CD1 3.76Å; F125-F249 HydrophobicContact CE1-CD1 3.76Å; F125-F249 AromaticContact CE1-CE1 3.75Å; F125-F249 HydrophobicContact CE1-CE1 3.75Å; F125-F249 HydrophobicContact CE2-CE1 4.2Å; F125-F249 HydrophobicContact CG-CD1 4.07Å; F125-F249 AromaticContact CG-CE1 3.79Å; F125-F249 HydrophobicContact CG-CE1 3.79Å; F125-F249 HydrophobicContact CZ-CD1 4.49Å; F125-F249 HydrophobicContact CZ-CE1 4.06Å; F125-T252 HydrophobicContact CE1-CG2 4.26Å
126P87.9Confident94.2Very high22 Ų2242.9 Ų42.914%0.14322%0.218CC..  trans-72.4146-177.535-38.6000110.1I128 L129 V140 T141 S203P126-I128 VanDerWaalsContact C-N 3.29Å; P126-I128 WeakPolarHBondContact CB-O 3.37Å; P126-I128 PolarHBondContact O-N 3.22Å; P126-L129 HydrophobicContact CG-CD2 3.93Å; P126-V140 HydrophobicContact CB-CG1 4.5Å; P126-V140 HydrophobicContact CG-CG1 3.75Å; P126-T141 VanDerWaalsContact CD-OG1 3.24Å; P126-T141 WeakPolarHBondContact CD-OG1 3.46Å; P126-S203 VanDerWaalsContact O-CB 3.28Å; P126-S203 WeakPolarHBondContact O-CB 3.45Å; P126-S203 PolarHBondContact O-OG 2.79Å
127K82.8Confident94.1Very high103 Ų10345.5 Ų45.545%0.44823%0.233SC..SBendtrans-61.3-41.8173.7179.4-168.8176.8-173.90111.2S203 N251K127-S203 PolarHBondContact O-OG 3.47Å; K127-N251 HydrophobicContact CB-CB 3.83Å; K127-N251 WeakPolarHBondContact CD-O 3.44Å
128I85Confident94Very high129 Ų12945.5 Ų45.566%0.66223%0.233SC*.SBendtrans-118.2121.4178.1-57.1175.7000105.7P126P126-I128 VanDerWaalsContact C-N 3.29Å; P126-I128 WeakPolarHBondContact CB-O 3.37Å; P126-I128 PolarHBondContact O-N 3.22Å
129L89.9Confident93.8Very high11 Ų1146 Ų466%0.05824%0.236CC..  trans-64.1150.2174.1-75.1170.7000110.1P126 N139 T141 Y195 L201 A206P126-L129 HydrophobicContact CG-CD2 3.93Å; L129-N139 HydrophobicContact CD2-CB 4.43Å; L129-T141 VanDerWaalsContact CD2-OG1 3.28Å; L129-T141 WeakPolarHBondContact CD2-OG1 3.34Å; L129-Y195 HydrophobicContact CB-CD2 4.32Å; L129-Y195 HydrophobicContact CB-CE2 3.64Å; L129-Y195 HydrophobicContact CD1-CE2 4.27Å; L129-L201 HydrophobicContact CD1-CD2 4.4Å; L129-L201 HydrophobicContact CD1-CG 4.06Å; L129-L201 VanDerWaalsContact CD1-O 3.25Å; L129-L201 WeakPolarHBondContact CD1-O 3.48Å; L129-A206 HydrophobicContact CD1-CB 3.79Å; L129-A206 HydrophobicContact CD2-CB 3.81Å; L129-A206 HydrophobicContact CG-CB 4.46Å
130R92.7Very high93.7Very high101 Ų10146.1 Ų46.138%0.38124%0.237SC..  trans-145.2158.2176.263.5162178.874.9-1.4109.3E99 V140E99-R130 VanDerWaalsContact CD-NH2 3.28Å; E99-R130 IonicContact OE1-CZ 2.61Å; E99-R130 IonicContact OE1-NH2 3.56Å; E99-R130 PolarHBondContact OE1-NH2 3.27Å; E99-R130 IonicContact OE2-CZ 3.76Å; E99-R130 VanDerWaalsContact OE2-CZ 3.26Å; E99-R130 IonicContact OE2-NH1 3.61Å; E99-R130 PolarHBondContact OE2-NH1 3.22Å; E99-R130 IonicContact OE2-NH2 3.74Å; E99-R130 PolarHBondContact OE2-NH2 2.97Å; R130-V140 HydrophobicContact CG-CB 4.12Å; R130-V140 HydrophobicContact CG-CG1 3.74Å; R130-V140 PolarHBondContact O-N 3.48Å
131P94.9Very high93.5Very high47 Ų4746 Ų4631%0.30524%0.236SC..BIsolated β-bridgetrans-68.1154171.529-32.7000110.9D137 Y195P131-D137 HydrophobicContact CB-CB 3.81Å; P131-D137 WeakPolarHBondContact CB-O 3.14Å; P131-Y195 HydrophobicContact CB-CD1 4.4Å; P131-Y195 HydrophobicContact CG-CD1 4.45Å
132S95.7Very high93.5Very high0 Ų045.2 Ų45.20%023%0.232CC..  trans-91.4112.3165.5177.90000109.4Y134 F135 D137 I138S132-Y134 PolarHBondContact O-N 2.93Å; S132-Y134 VanDerWaalsContact O-N 3.08Å; S132-F135 PolarHBondContact O-N 2.8Å; S132-F135 VanDerWaalsContact O-N 3.17Å; S132-D137 WeakPolarHBondContact O-CA 3.24Å; S132-D137 PolarHBondContact O-N 2.81Å; S132-I138 WeakPolarHBondContact CB-O 3.27Å; S132-I138 PolarHBondContact N-O 3Å
133I95.4Very high93.6Very high130 Ų13044.6 Ų44.667%0.66723%0.227SC*.THydrogen-bonded Turntrans-61.2-21.2-17864.8173.3000113.7
134Y95.9Very high93.7Very high112 Ų11243.5 Ų43.544%0.43921%0.213SC..THydrogen-bonded Turntrans-97.4-14.6-176.5-67-67.5000113.5E99 N100 S132E99-Y134 HydrophobicContact CB-CD2 4.4Å; E99-Y134 WeakPolarHBondContact O-CB 3.17Å; E99-Y134 VanDerWaalsContact O-CD2 3.3Å; E99-Y134 WeakPolarHBondContact O-CD2 3.36Å; N100-Y134 HydrophobicContact CB-CD1 4.44Å; N100-Y134 HydrophobicContact CB-CD2 3.84Å; N100-Y134 HydrophobicContact CB-CE1 4.34Å; N100-Y134 HydrophobicContact CB-CE2 3.72Å; N100-Y134 HydrophobicContact CB-CG 4.22Å; N100-Y134 VanDerWaalsContact ND2-CZ 3.3Å; N100-Y134 PolarHBondContact ND2-OH 3.15Å; S132-Y134 PolarHBondContact O-N 2.93Å; S132-Y134 VanDerWaalsContact O-N 3.08Å
135F96.5Very high93.9Very high3 Ų342.5 Ų42.51%0.01320%0.204CC..THydrogen-bonded Turntrans-12558-174.3-69-60.1000110.8L98 E99 P101 S132 D137 I138 A143 V147 F341 L342L98-F135 WeakPolarHBondContact O-CE2 3.27Å; E99-F135 WeakPolarHBondContact O-CD2 3.36Å; E99-F135 WeakPolarHBondContact O-CE2 3.5Å; P101-F135 HydrophobicContact CG-CD1 4.29Å; P101-F135 HydrophobicContact CG-CE1 3.54Å; P101-F135 HydrophobicContact CG-CZ 3.75Å; S132-F135 PolarHBondContact O-N 2.8Å; S132-F135 VanDerWaalsContact O-N 3.17Å; F135-D137 PolarHBondContact O-N 3.43Å; F135-I138 HydrophobicContact CB-CD1 3.72Å; F135-I138 HydrophobicContact CB-CG1 3.81Å; F135-I138 HydrophobicContact CG-CD1 4.44Å; F135-I138 WeakPolarHBondContact O-CG1 3.31Å; F135-I138 WeakPolarHBondContact O-CG2 3.49Å; F135-I138 PolarHBondContact O-N 2.66Å; F135-A143 HydrophobicContact CD2-CB 3.72Å; F135-A143 HydrophobicContact CE2-CB 4.37Å; F135-V147 HydrophobicContact CD1-CG1 3.86Å; F135-V147 HydrophobicContact CD2-CG1 4.48Å; F135-V147 HydrophobicContact CE1-CG1 3.74Å; F135-V147 HydrophobicContact CE2-CG1 4.35Å; F135-V147 HydrophobicContact CG-CG1 4.24Å; F135-V147 HydrophobicContact CZ-CG1 4.01Å; F135-F341 HydrophobicContact CB-CE1 4.12Å; F135-F341 HydrophobicContact CB-CZ 4.1Å; F135-F341 AromaticContact CD1-CE1 3.96Å; F135-F341 HydrophobicContact CD1-CE1 3.96Å; F135-F341 HydrophobicContact CG-CE1 4.43Å; F135-L342 HydrophobicContact CD1-CD2 4.12Å; F135-L342 HydrophobicContact CE1-CD2 3.57Å
136Q95.1Very high94.3Very high110 Ų11041.7 Ų41.751%0.51420%0.201SC..THydrogen-bonded Turntrans50.338.7170.2-60.9155.358.300112.2I138 F341Q136-I138 PolarHBondContact O-N 3.36Å; Q136-I138 VanDerWaalsContact O-N 3.07Å; Q136-F341 HydrophobicContact CB-CE2 3.85Å; Q136-F341 HydrophobicContact CB-CZ 3.97Å; Q136-F341 HydrophobicContact CG-CE2 4.08Å; Q136-F341 HydrophobicContact CG-CZ 4.21Å; Q136-F341 PolarHBondContact NE2-O 2.96Å
137D94.7Very high94.8Very high77 Ų7740.6 Ų40.641%0.41219%0.194SC..THydrogen-bonded Turntrans59.314.9179.4-60.2-49.1000116.7P131 S132 F135 P194 Y195P131-D137 HydrophobicContact CB-CB 3.81Å; P131-D137 WeakPolarHBondContact CB-O 3.14Å; S132-D137 WeakPolarHBondContact O-CA 3.24Å; S132-D137 PolarHBondContact O-N 2.81Å; F135-D137 PolarHBondContact O-N 3.43Å; D137-P194 HydrophobicContact CB-CB 4.2Å; D137-Y195 VanDerWaalsContact O-CB 3.24Å; D137-Y195 WeakPolarHBondContact O-CB 3.14Å; D137-Y195 PolarHBondContact O-N 3.03Å
138I95.9Very high95.5Very high0 Ų035.7 Ų35.70%017%0.173CC..  trans-56.5154.9170.172.1-175.9000110.3S132 F135 Q136 V140 L142 A143 V147 F192 F341S132-I138 WeakPolarHBondContact CB-O 3.27Å; S132-I138 PolarHBondContact N-O 3Å; F135-I138 HydrophobicContact CB-CD1 3.72Å; F135-I138 HydrophobicContact CB-CG1 3.81Å; F135-I138 HydrophobicContact CG-CD1 4.44Å; F135-I138 WeakPolarHBondContact O-CG1 3.31Å; F135-I138 WeakPolarHBondContact O-CG2 3.49Å; F135-I138 PolarHBondContact O-N 2.66Å; Q136-I138 PolarHBondContact O-N 3.36Å; Q136-I138 VanDerWaalsContact O-N 3.07Å; I138-V140 PolarHBondContact O-N 3.4Å; I138-L142 HydrophobicContact CB-CD2 4.44Å; I138-L142 HydrophobicContact CD1-CD2 4.12Å; I138-L142 HydrophobicContact CD1-CG 4.36Å; I138-A143 HydrophobicContact CD1-CB 4.11Å; I138-A143 HydrophobicContact CG1-CB 4.09Å; I138-V147 HydrophobicContact CD1-CB 4.33Å; I138-V147 HydrophobicContact CD1-CG2 3.73Å; I138-F192 HydrophobicContact CG2-CD1 4.39Å; I138-F192 WeakPolarHBondContact CG2-O 3.39Å; I138-F341 HydrophobicContact CD1-CE1 4.3Å; I138-F341 HydrophobicContact CD1-CZ 4.14Å; I138-F341 HydrophobicContact CG2-CE2 4.17Å; I138-F341 HydrophobicContact CG2-CZ 3.98Å
139N95.2Very high96.2Very high9 Ų929.9 Ų29.95%0.04814%0.143CC..BIsolated β-bridgetrans-59.2138-179.777.985000111.4L129 T141 L142 A143 Y195 L201L129-N139 HydrophobicContact CD2-CB 4.43Å; N139-T141 PolarHBondContact O-N 2.93Å; N139-T141 VanDerWaalsContact OD1-CB 3.31Å; N139-T141 WeakPolarHBondContact OD1-CB 3.41Å; N139-T141 PolarHBondContact OD1-N 3.01Å; N139-L142 WeakPolarHBondContact ND2-CB 3.47Å; N139-L142 PolarHBondContact O-N 3.44Å; N139-L142 VanDerWaalsContact O-N 3.13Å; N139-L142 PolarHBondContact OD1-N 3.32Å; N139-A143 PolarHBondContact O-N 2.91Å; N139-A143 VanDerWaalsContact O-N 3.09Å; N139-Y195 HydrophobicContact CB-CD2 4.24Å; N139-L201 HydrophobicContact CB-CD2 4.12Å
140V95.6Very high96.6Very high4 Ų429.4 Ų29.42%0.02414%0.14CC..Hα-helixtrans-56.3-29.2-17661.30000114.2E99 P126 R130 I138 A143 T144E99-V140 HydrophobicContact CG-CG2 4.18Å; E99-V140 WeakPolarHBondContact OE2-CG2 3.31Å; P126-V140 HydrophobicContact CB-CG1 4.5Å; P126-V140 HydrophobicContact CG-CG1 3.75Å; R130-V140 HydrophobicContact CG-CB 4.12Å; R130-V140 HydrophobicContact CG-CG1 3.74Å; R130-V140 PolarHBondContact O-N 3.48Å; I138-V140 PolarHBondContact O-N 3.4Å; V140-A143 PolarHBondContact O-N 3.18Å; V140-T144 WeakPolarHBondContact O-CB 3.5Å; V140-T144 PolarHBondContact O-N 3.48Å; V140-T144 PolarHBondContact O-OG1 2.82Å
141T96.1Very high96.9Very high0 Ų025.4 Ų25.40%013%0.125CC..Hα-helixtrans-66.8-46.4-178.9-54.50000110.4A124 P126 L129 N139 N145 Y207A124-T141 WeakPolarHBondContact O-CG2 3.44Å; P126-T141 VanDerWaalsContact CD-OG1 3.24Å; P126-T141 WeakPolarHBondContact CD-OG1 3.46Å; L129-T141 VanDerWaalsContact CD2-OG1 3.28Å; L129-T141 WeakPolarHBondContact CD2-OG1 3.34Å; N139-T141 PolarHBondContact O-N 2.93Å; N139-T141 VanDerWaalsContact OD1-CB 3.31Å; N139-T141 WeakPolarHBondContact OD1-CB 3.41Å; N139-T141 PolarHBondContact OD1-N 3.01Å; T141-N145 WeakPolarHBondContact CG2-ND2 3.46Å; T141-N145 WeakPolarHBondContact O-CB 3.4Å; T141-N145 PolarHBondContact O-N 3.23Å; T141-N145 PolarHBondContact O-OD1 3.44Å; T141-Y207 HydrophobicContact CG2-CD2 4.12Å
142L97.7Very high97.1Very high0 Ų023.2 Ų23.20%011%0.11CC..Hα-helixtrans-64-46.8173.5-178.969.3000111.6I138 N139 T144 Y146 V147 L191 A213I138-L142 HydrophobicContact CB-CD2 4.44Å; I138-L142 HydrophobicContact CD1-CD2 4.12Å; I138-L142 HydrophobicContact CD1-CG 4.36Å; N139-L142 WeakPolarHBondContact ND2-CB 3.47Å; N139-L142 PolarHBondContact O-N 3.44Å; N139-L142 VanDerWaalsContact O-N 3.13Å; N139-L142 PolarHBondContact OD1-N 3.32Å; L142-T144 VanDerWaalsContact C-N 3.33Å; L142-T144 PolarHBondContact O-N 3.49Å; L142-Y146 HydrophobicContact CD1-CD1 3.78Å; L142-Y146 HydrophobicContact CD1-CG 4.33Å; L142-Y146 PolarHBondContact O-N 2.93Å; L142-V147 HydrophobicContact CG-CG2 4.19Å; L142-V147 PolarHBondContact O-N 2.76Å; L142-V147 VanDerWaalsContact O-N 3.08Å; L142-L191 HydrophobicContact CD1-CD1 3.84Å; L142-L191 HydrophobicContact CD1-CD2 3.92Å; L142-L191 HydrophobicContact CD1-CG 3.85Å; L142-L191 HydrophobicContact CD2-CD1 4.1Å; L142-L191 HydrophobicContact CD2-CD2 4.48Å; L142-L191 HydrophobicContact CD2-CG 3.73Å; L142-L191 WeakPolarHBondContact CD2-O 3.37Å; L142-L191 HydrophobicContact CG-CG 4.46Å; L142-A213 HydrophobicContact CD1-CB 4.44Å
143A97.9Very high97.2Very high0 Ų023.2 Ų23.20%011%0.11CC..Iπ-helixtrans-52.4-50.7177.800000112F135 I138 N139 V140 V147 G148F135-A143 HydrophobicContact CD2-CB 3.72Å; F135-A143 HydrophobicContact CE2-CB 4.37Å; I138-A143 HydrophobicContact CD1-CB 4.11Å; I138-A143 HydrophobicContact CG1-CB 4.09Å; N139-A143 PolarHBondContact O-N 2.91Å; N139-A143 VanDerWaalsContact O-N 3.09Å; V140-A143 PolarHBondContact O-N 3.18Å; A143-V147 PolarHBondContact O-N 2.84Å; A143-G148 PolarHBondContact O-N 3.37Å
144T97.8Very high97.3Very high15 Ų1518 Ų189%0.0929%0.086CC..Iπ-helixtrans-75.4-49.4-176.8-54.10000112.3L98 E99 A124 V140 L142L98-T144 HydrophobicContact CB-CG2 4.32Å; L98-T144 HydrophobicContact CD1-CG2 4.42Å; E99-T144 WeakPolarHBondContact CG-OG1 3.39Å; A124-T144 HydrophobicContact CB-CG2 3.98Å; V140-T144 WeakPolarHBondContact O-CB 3.5Å; V140-T144 PolarHBondContact O-N 3.48Å; V140-T144 PolarHBondContact O-OG1 2.82Å; L142-T144 VanDerWaalsContact C-N 3.33Å; L142-T144 PolarHBondContact O-N 3.49Å
145N98.1Very high97.4Very high0 Ų014.8 Ų14.80%08%0.076CC..Iπ-helixtrans-75.3-33-168.2-64.4-2.4000111.8G123 A124 T141 H149 S210 C214G123-N145 WeakPolarHBondContact CA-OD1 3.47Å; A124-N145 PolarHBondContact N-OD1 2.79Å; A124-N145 PolarHBondContact O-ND2 2.76Å; T141-N145 WeakPolarHBondContact CG2-ND2 3.46Å; T141-N145 WeakPolarHBondContact O-CB 3.4Å; T141-N145 PolarHBondContact O-N 3.23Å; T141-N145 PolarHBondContact O-OD1 3.44Å; N145-H149 PolarHBondContact O-ND1 3.49Å; N145-S210 PolarHBondContact ND2-OG 3.29Å; N145-C214 PolarHBondContact O-SG 3.46Å; N145-C214 VanDerWaalsContact O-SG 3.34Å
146Y98.7Very high97.5Very high2 Ų214.7 Ų14.71%0.0088%0.076CC..Iπ-helixtrans-119.7-66-172.7171.9-118.9000112.5L142 G148 H149 F150 F192 A213 F217 L334 T338L142-Y146 HydrophobicContact CD1-CD1 3.78Å; L142-Y146 HydrophobicContact CD1-CG 4.33Å; L142-Y146 PolarHBondContact O-N 2.93Å; Y146-G148 PolarHBondContact O-N 2.88Å; Y146-H149 CarbonylContact O-C 3.48Å; Y146-H149 PolarHBondContact O-N 3.24Å; Y146-F150 HydrophobicContact CE2-CB 4.15Å; Y146-F150 AromaticContact CE2-CD2 3.97Å; Y146-F150 HydrophobicContact CE2-CD2 3.97Å; Y146-F150 HydrophobicContact CE2-CG 4.49Å; Y146-F150 AromaticContact CZ-CD2 3.99Å; Y146-F150 PolarHBondContact O-N 3.01Å; Y146-F150 WeakPolarHBondContact OH-CD2 3.3Å; Y146-F192 HydrophobicContact CE1-CE2 4.37Å; Y146-F192 AromaticContact CE1-CZ 3.96Å; Y146-F192 HydrophobicContact CE1-CZ 3.96Å; Y146-A213 HydrophobicContact CD1-CB 3.8Å; Y146-A213 HydrophobicContact CD2-CB 3.92Å; Y146-A213 HydrophobicContact CE1-CB 4.25Å; Y146-A213 HydrophobicContact CE2-CB 4.4Å; Y146-A213 HydrophobicContact CG-CB 3.61Å; Y146-F217 HydrophobicContact CD2-CB 4.27Å; Y146-F217 HydrophobicContact CE2-CB 3.72Å; Y146-F217 HydrophobicContact CE2-CD2 4.33Å; Y146-F217 HydrophobicContact CE2-CG 4.09Å; Y146-L334 HydrophobicContact CE1-CD1 3.95Å; Y146-L334 HydrophobicContact CE1-CD2 4.37Å; Y146-L334 HydrophobicContact CE1-CG 4.24Å; Y146-L334 WeakPolarHBondContact OH-CG 3.01Å; Y146-T338 HydrophobicContact CE1-CG2 4.03Å; Y146-T338 WeakPolarHBondContact CE1-OG1 3.45Å; Y146-T338 WeakPolarHBondContact OH-CB 3.24Å; Y146-T338 PolarHBondContact OH-OG1 3.22Å
147V98.7Very high97.6Very high0 Ų010.1 Ų10.10%06%0.055CC..Iπ-helixtrans-61.4-44.4-167.8176.10000112.3F135 I138 L142 A143 H149 F150 Y151 F192 F341 L342F135-V147 HydrophobicContact CD1-CG1 3.86Å; F135-V147 HydrophobicContact CD2-CG1 4.48Å; F135-V147 HydrophobicContact CE1-CG1 3.74Å; F135-V147 HydrophobicContact CE2-CG1 4.35Å; F135-V147 HydrophobicContact CG-CG1 4.24Å; F135-V147 HydrophobicContact CZ-CG1 4.01Å; I138-V147 HydrophobicContact CD1-CB 4.33Å; I138-V147 HydrophobicContact CD1-CG2 3.73Å; L142-V147 HydrophobicContact CG-CG2 4.19Å; L142-V147 PolarHBondContact O-N 2.76Å; L142-V147 VanDerWaalsContact O-N 3.08Å; A143-V147 PolarHBondContact O-N 2.84Å; V147-H149 VanDerWaalsContact C-N 3.34Å; V147-H149 PolarHBondContact O-N 3.35Å; V147-F150 WeakPolarHBondContact O-CB 3.46Å; V147-F150 PolarHBondContact O-N 3.33Å; V147-Y151 WeakPolarHBondContact O-CB 3.45Å; V147-Y151 PolarHBondContact O-N 3.05Å; V147-F192 HydrophobicContact CG2-CE1 3.79Å; V147-F192 HydrophobicContact CG2-CZ 4.03Å; V147-F341 HydrophobicContact CG1-CD1 4.38Å; V147-F341 HydrophobicContact CG1-CE1 4.12Å; V147-L342 HydrophobicContact CG1-CD1 4.36Å; V147-L342 HydrophobicContact CG1-CD2 3.79Å; V147-L342 HydrophobicContact CG1-CG 4.31Å
148G98.7Very high97.6Very high0 Ų09.8 Ų9.80%06%0.057CC..Hα-helixtrans-62.6-39.2176.100000113L98 A143 Y146 Y151 L152L98-G148 VanDerWaalsContact O-CA 3.28Å; L98-G148 WeakPolarHBondContact O-CA 2.76Å; A143-G148 PolarHBondContact O-N 3.37Å; Y146-G148 PolarHBondContact O-N 2.88Å; G148-Y151 PolarHBondContact O-N 3.03Å; G148-L152 WeakPolarHBondContact O-CB 3.31Å; G148-L152 PolarHBondContact O-N 3.42Å
149H98.8Very high97.6Very high7 Ų713.9 Ų13.93%0.0327%0.073CC..Hα-helixtrans-71.9-37.4175.8-75.6131000112.8T44 L98 N120 A122 N145 Y146 V147 Y151 L152 T153T44-H149 PolarHBondContact OG1-NE2 2.73Å; L98-H149 VanDerWaalsContact CD1-NE2 3.31Å; L98-H149 WeakPolarHBondContact CD1-NE2 3.22Å; N120-H149 HydrophobicContact CB-CB 4.31Å; N120-H149 PolarHBondContact OD1-CD2 3.35Å; A122-H149 PolarHBondContact O-CE1 3.4Å; A122-H149 VanDerWaalsContact O-CE1 3.28Å; N145-H149 PolarHBondContact O-ND1 3.49Å; Y146-H149 CarbonylContact O-C 3.48Å; Y146-H149 PolarHBondContact O-N 3.24Å; V147-H149 VanDerWaalsContact C-N 3.34Å; V147-H149 PolarHBondContact O-N 3.35Å; H149-Y151 VanDerWaalsContact C-N 3.31Å; H149-L152 PolarHBondContact O-N 3.04Å; H149-T153 VanDerWaalsContact O-CB 3.3Å; H149-T153 WeakPolarHBondContact O-CB 3.48Å; H149-T153 PolarHBondContact O-N 3.17Å; H149-T153 PolarHBondContact O-OG1 2.91Å
150F98.8Very high97.7Very high0 Ų013.5 Ų13.50%07%0.071CC..Hα-helixtrans-57.8-50.7171.9-175.4-79.1000108.9Y146 V147 L152 T153 S154 F217 W335 T338 T339 L342 L344Y146-F150 HydrophobicContact CE2-CB 4.15Å; Y146-F150 AromaticContact CE2-CD2 3.97Å; Y146-F150 HydrophobicContact CE2-CD2 3.97Å; Y146-F150 HydrophobicContact CE2-CG 4.49Å; Y146-F150 AromaticContact CZ-CD2 3.99Å; Y146-F150 PolarHBondContact O-N 3.01Å; Y146-F150 WeakPolarHBondContact OH-CD2 3.3Å; V147-F150 WeakPolarHBondContact O-CB 3.46Å; V147-F150 PolarHBondContact O-N 3.33Å; F150-L152 PolarHBondContact O-N 3.29Å; F150-T153 PolarHBondContact O-N 2.94Å; F150-S154 WeakPolarHBondContact CE1-OG 3.38Å; F150-S154 WeakPolarHBondContact O-CB 3.47Å; F150-S154 PolarHBondContact O-N 3.21Å; F150-S154 PolarHBondContact O-OG 3.11Å; F150-F217 AromaticContact CD2-CD2 3.46Å; F150-F217 HydrophobicContact CD2-CD2 3.46Å; F150-F217 VanDerWaalsContact CD2-CD2 3.46Å; F150-F217 AromaticContact CD2-CE2 3.54Å; F150-F217 HydrophobicContact CD2-CE2 3.54Å; F150-F217 HydrophobicContact CD2-CG 4.48Å; F150-F217 AromaticContact CE2-CD2 3.93Å; F150-F217 HydrophobicContact CE2-CD2 3.93Å; F150-F217 HydrophobicContact CE2-CE2 4.01Å; F150-F217 HydrophobicContact CG-CD2 4.48Å; F150-F217 HydrophobicContact CG-CE2 4.28Å; F150-W335 HydrophobicContact CE2-CB 4.43Å; F150-W335 AromaticContact CE2-CD2 3.65Å; F150-W335 HydrophobicContact CE2-CD2 3.65Å; F150-W335 AromaticContact CE2-CE3 3.64Å; F150-W335 HydrophobicContact CE2-CE3 3.64Å; F150-W335 HydrophobicContact CE2-CG 4.03Å; F150-W335 HydrophobicContact CE2-CH2 4.5Å; F150-W335 HydrophobicContact CE2-CZ3 4.09Å; F150-W335 AromaticContact CZ-CD2 3.85Å; F150-W335 HydrophobicContact CZ-CD2 3.85Å; F150-W335 AromaticContact CZ-CE2 3.89Å; F150-W335 HydrophobicContact CZ-CE3 4.26Å; F150-W335 HydrophobicContact CZ-CG 4.09Å; F150-W335 HydrophobicContact CZ-CZ2 4.32Å; F150-T338 HydrophobicContact CB-CG2 4.08Å; F150-T338 HydrophobicContact CD1-CG2 3.51Å; F150-T338 HydrophobicContact CD2-CG2 3.92Å; F150-T338 HydrophobicContact CE1-CG2 3.84Å; F150-T338 HydrophobicContact CE2-CG2 4.23Å; F150-T338 HydrophobicContact CG-CG2 3.56Å; F150-T338 HydrophobicContact CZ-CG2 4.2Å; F150-T339 WeakPolarHBondContact CZ-OG1 3.27Å; F150-L342 HydrophobicContact CD1-CD1 3.57Å; F150-L342 HydrophobicContact CE1-CD1 4.16Å; F150-L344 HydrophobicContact CD1-CD1 4.27Å; F150-L344 HydrophobicContact CE1-CD1 3.81Å
151Y98.6Very high97.7Very high18 Ų1816.5 Ų16.57%0.0718%0.082CC..Hα-helixtrans-61.2-47.5179.5-167.1-129.5000112.5P101 I104 K105 V147 G148 H149 T153 S154 L155 L342 L344P101-Y151 HydrophobicContact CB-CD1 4.26Å; P101-Y151 HydrophobicContact CB-CE1 3.78Å; I104-Y151 HydrophobicContact CB-CD1 3.93Å; I104-Y151 HydrophobicContact CB-CE1 4.29Å; I104-Y151 HydrophobicContact CD1-CD1 3.84Å; I104-Y151 HydrophobicContact CG1-CD1 4.49Å; I104-Y151 HydrophobicContact CG2-CD1 3.77Å; I104-Y151 HydrophobicContact CG2-CE1 4.34Å; K105-Y151 WeakPolarHBondContact CE-OH 3.33Å; K105-Y151 HydrophobicContact CG-CE1 4.17Å; V147-Y151 WeakPolarHBondContact O-CB 3.45Å; V147-Y151 PolarHBondContact O-N 3.05Å; G148-Y151 PolarHBondContact O-N 3.03Å; H149-Y151 VanDerWaalsContact C-N 3.31Å; Y151-T153 VanDerWaalsContact C-N 3.35Å; Y151-T153 PolarHBondContact O-N 2.97Å; Y151-S154 PolarHBondContact O-N 3.5Å; Y151-L155 HydrophobicContact CD1-CD1 4.13Å; Y151-L155 HydrophobicContact CD2-CG 4.39Å; Y151-L155 HydrophobicContact CE1-CD1 3.69Å; Y151-L155 HydrophobicContact CE2-CD1 4.16Å; Y151-L155 HydrophobicContact CE2-CD2 4.24Å; Y151-L155 HydrophobicContact CE2-CG 4.15Å; Y151-L155 WeakPolarHBondContact O-CG 3.27Å; Y151-L155 PolarHBondContact O-N 2.77Å; Y151-L342 HydrophobicContact CD2-CB 4.35Å; Y151-L342 HydrophobicContact CD2-CD1 3.93Å; Y151-L342 HydrophobicContact CD2-CD2 4.26Å; Y151-L342 HydrophobicContact CD2-CG 4.42Å; Y151-L342 HydrophobicContact CG-CD1 4.27Å; Y151-L342 HydrophobicContact CG-CD2 4.34Å; Y151-L344 HydrophobicContact CD2-CD1 4.19Å; Y151-L344 HydrophobicContact CD2-CD2 3.84Å; Y151-L344 HydrophobicContact CD2-CG 4.18Å; Y151-L344 HydrophobicContact CE2-CD2 3.48Å; Y151-L344 VanDerWaalsContact CE2-CD2 3.48Å; Y151-L344 HydrophobicContact CE2-CG 4.12Å
152L98.7Very high97.6Very high0 Ų021.4 Ų21.40%010%0.103CC..Hα-helixtrans-56.3-48.4175.417563.7000111.7T44 L96 L98 I104 F107 V108 L118 G148 H149 F150 L155 L156T44-L152 HydrophobicContact CG2-CD2 3.5Å; T44-L152 VanDerWaalsContact CG2-CD2 3.5Å; L96-L152 HydrophobicContact CD2-CD2 4.12Å; L98-L152 HydrophobicContact CD2-CD2 4.35Å; I104-L152 HydrophobicContact CG2-CB 3.83Å; I104-L152 HydrophobicContact CG2-CD1 4.02Å; F107-L152 HydrophobicContact CD1-CD1 3.81Å; F107-L152 HydrophobicContact CE1-CD1 4.09Å; V108-L152 HydrophobicContact CG2-CD1 3.66Å; L118-L152 HydrophobicContact CD1-CD2 4.18Å; G148-L152 WeakPolarHBondContact O-CB 3.31Å; G148-L152 PolarHBondContact O-N 3.42Å; H149-L152 PolarHBondContact O-N 3.04Å; F150-L152 PolarHBondContact O-N 3.29Å; L152-L155 PolarHBondContact O-N 2.79Å; L152-L156 HydrophobicContact CD1-CD1 3.76Å; L152-L156 HydrophobicContact CD1-CG 4.33Å; L152-L156 HydrophobicContact CG-CD1 4.03Å; L152-L156 WeakPolarHBondContact O-CB 3.39Å; L152-L156 WeakPolarHBondContact O-CG 3.4Å; L152-L156 PolarHBondContact O-N 2.6Å
153T98.6Very high97.5Very high0 Ų021.4 Ų21.40%010%0.103CC..Hα-helixtrans-65.7-45-178.5-53.20000110.3L118 N120 H149 F150 Y151 L155 L156 L157 V173 F217 L221L118-T153 HydrophobicContact CD2-CG2 4.25Å; N120-T153 PolarHBondContact ND2-OG1 2.84Å; H149-T153 VanDerWaalsContact O-CB 3.3Å; H149-T153 WeakPolarHBondContact O-CB 3.48Å; H149-T153 PolarHBondContact O-N 3.17Å; H149-T153 PolarHBondContact O-OG1 2.91Å; F150-T153 PolarHBondContact O-N 2.94Å; Y151-T153 VanDerWaalsContact C-N 3.35Å; Y151-T153 PolarHBondContact O-N 2.97Å; T153-L155 VanDerWaalsContact C-N 3.32Å; T153-L155 PolarHBondContact O-N 3.42Å; T153-L156 CarbonylContact O-C 3.58Å; T153-L156 PolarHBondContact O-N 2.87Å; T153-L157 WeakPolarHBondContact O-CG 3.27Å; T153-L157 PolarHBondContact O-N 2.83Å; T153-V173 HydrophobicContact CG2-CG1 4.21Å; T153-F217 HydrophobicContact CG2-CZ 3.9Å; T153-L221 HydrophobicContact CG2-CD1 4.26Å; T153-L221 HydrophobicContact CG2-CD2 4.23Å
154S98.1Very high97.3Very high22 Ų2224 Ų2415%0.15411%0.113CC..Hα-helixtrans-59.3-40.9177.5-65.50000112.6F150 Y151 L156F150-S154 WeakPolarHBondContact CE1-OG 3.38Å; F150-S154 WeakPolarHBondContact O-CB 3.47Å; F150-S154 PolarHBondContact O-N 3.21Å; F150-S154 PolarHBondContact O-OG 3.11Å; Y151-S154 PolarHBondContact O-N 3.5Å; S154-L156 VanDerWaalsContact C-N 3.35Å
155L97.7Very high97.1Very high44 Ų4429.1 Ų29.123%0.2314%0.136CC..Hα-helixtrans-70.7-29.4174.7-67.8-177000113I104 K105 V108 Y151 L152 T153 Y159 L344I104-L155 HydrophobicContact CG2-CD1 4.17Å; K105-L155 HydrophobicContact CG-CD1 3.89Å; V108-L155 HydrophobicContact CB-CB 4.46Å; V108-L155 HydrophobicContact CG1-CB 4.24Å; V108-L155 HydrophobicContact CG2-CB 4Å; Y151-L155 HydrophobicContact CD1-CD1 4.13Å; Y151-L155 HydrophobicContact CD2-CG 4.39Å; Y151-L155 HydrophobicContact CE1-CD1 3.69Å; Y151-L155 HydrophobicContact CE2-CD1 4.16Å; Y151-L155 HydrophobicContact CE2-CD2 4.24Å; Y151-L155 HydrophobicContact CE2-CG 4.15Å; Y151-L155 WeakPolarHBondContact O-CG 3.27Å; Y151-L155 PolarHBondContact O-N 2.77Å; L152-L155 PolarHBondContact O-N 2.79Å; T153-L155 VanDerWaalsContact C-N 3.32Å; T153-L155 PolarHBondContact O-N 3.42Å; L155-Y159 WeakPolarHBondContact O-CD2 3.48Å; L155-Y159 WeakPolarHBondContact O-CE2 2.78Å; L155-L344 HydrophobicContact CD2-CD2 4.42Å
156L97.4Very high96.9Very high1 Ų134.4 Ų34.41%0.00516%0.161CC..Hα-helixtrans-82.5-20.8177.4-79.4171.8000114V108 L111 L118 L152 T153 S154 Y159 L160V108-L156 HydrophobicContact CB-CD2 4.47Å; V108-L156 HydrophobicContact CG1-CD2 3.92Å; V108-L156 HydrophobicContact CG1-CG 4.32Å; V108-L156 HydrophobicContact CG2-CD1 4.49Å; V108-L156 HydrophobicContact CG2-CD2 4.07Å; V108-L156 HydrophobicContact CG2-CG 3.83Å; L111-L156 HydrophobicContact CD2-CD2 4.22Å; L118-L156 HydrophobicContact CD1-CD1 3.91Å; L118-L156 HydrophobicContact CD2-CD1 3.84Å; L118-L156 HydrophobicContact CG-CD1 4.44Å; L152-L156 HydrophobicContact CD1-CD1 3.76Å; L152-L156 HydrophobicContact CD1-CG 4.33Å; L152-L156 HydrophobicContact CG-CD1 4.03Å; L152-L156 WeakPolarHBondContact O-CB 3.39Å; L152-L156 WeakPolarHBondContact O-CG 3.4Å; L152-L156 PolarHBondContact O-N 2.6Å; T153-L156 CarbonylContact O-C 3.58Å; T153-L156 PolarHBondContact O-N 2.87Å; S154-L156 VanDerWaalsContact C-N 3.35Å; L156-Y159 HydrophobicContact CD2-CD2 4.37Å; L156-Y159 CarbonylContact O-C 3.55Å; L156-Y159 WeakPolarHBondContact O-CA 3.23Å; L156-Y159 WeakPolarHBondContact O-CB 3.4Å; L156-Y159 PolarHBondContact O-N 3.35Å; L156-L160 HydrophobicContact CB-CD1 4.31Å; L156-L160 HydrophobicContact CB-CG 4.39Å; L156-L160 WeakPolarHBondContact O-CG 3.45Å; L156-L160 PolarHBondContact O-N 2.92Å
157L97.3Very high96.6Very high14 Ų1436.4 Ų36.47%0.07317%0.173CC..Hα-helixtrans-49.7-46.6-176.7-85.5173.5000114T153 Y159 L160 R161 L221 Y225 L233T153-L157 WeakPolarHBondContact O-CG 3.27Å; T153-L157 PolarHBondContact O-N 2.83Å; L157-Y159 VanDerWaalsContact C-N 3.27Å; L157-Y159 PolarHBondContact O-N 3.2Å; L157-L160 PolarHBondContact O-N 3.07Å; L157-R161 WeakPolarHBondContact O-CB 3.35Å; L157-R161 PolarHBondContact O-N 3.38Å; L157-L221 HydrophobicContact CD2-CD1 4.24Å; L157-Y225 HydrophobicContact CD1-CD2 4.25Å; L157-Y225 HydrophobicContact CD1-CE1 4.38Å; L157-Y225 HydrophobicContact CD1-CE2 3.65Å; L157-Y225 HydrophobicContact CD2-CD1 4.39Å; L157-Y225 HydrophobicContact CD2-CD2 4.11Å; L157-Y225 HydrophobicContact CD2-CE2 4.32Å; L157-Y225 HydrophobicContact CD2-CG 4.13Å; L157-L233 HydrophobicContact CD2-CD2 3.58Å
158P95.5Very high96.3Very high70 Ų7041.3 Ų41.346%0.45521%0.207SC..Hα-helixtrans-60.1-36.7176.5-24.135000113.1K162P158-K162 WeakPolarHBondContact O-CB 3.48Å; P158-K162 PolarHBondContact O-N 3.01Å
159Y95.7Very high95.9Very high86 Ų8644.6 Ų44.634%0.33722%0.224SC..Hα-helixtrans-77.4-34.4-179.9-58.3-78.4000112.8V108 L113 L155 L156 L157 K162 S163V108-Y159 HydrophobicContact CG1-CD2 3.98Å; V108-Y159 HydrophobicContact CG1-CE2 3.55Å; L113-Y159 HydrophobicContact CD1-CD1 3.56Å; L113-Y159 HydrophobicContact CD1-CE1 4.19Å; L113-Y159 HydrophobicContact CD1-CG 4.48Å; L113-Y159 HydrophobicContact CD2-CD1 4.16Å; L113-Y159 HydrophobicContact CD2-CG 4.32Å; L113-Y159 HydrophobicContact CG-CD1 4.47Å; L155-Y159 WeakPolarHBondContact O-CD2 3.48Å; L155-Y159 WeakPolarHBondContact O-CE2 2.78Å; L156-Y159 HydrophobicContact CD2-CD2 4.37Å; L156-Y159 CarbonylContact O-C 3.55Å; L156-Y159 WeakPolarHBondContact O-CA 3.23Å; L156-Y159 WeakPolarHBondContact O-CB 3.4Å; L156-Y159 PolarHBondContact O-N 3.35Å; L157-Y159 VanDerWaalsContact C-N 3.27Å; L157-Y159 PolarHBondContact O-N 3.2Å; Y159-K162 PolarHBondContact O-N 3.27Å; Y159-S163 WeakPolarHBondContact O-CB 3.4Å; Y159-S163 PolarHBondContact O-N 3.13Å; Y159-S163 PolarHBondContact O-OG 3.38Å
160L97Very high95.7Very high1 Ų147.8 Ų47.81%0.00524%0.236CC..Hα-helixtrans-64.5-48.5171.4-65.9171.3000109.5V115 L156 L157 K162 S163 Y164 P171 V173 L233V115-L160 HydrophobicContact CB-CD2 3.95Å; V115-L160 HydrophobicContact CG1-CD2 3.78Å; L156-L160 HydrophobicContact CB-CD1 4.31Å; L156-L160 HydrophobicContact CB-CG 4.39Å; L156-L160 WeakPolarHBondContact O-CG 3.45Å; L156-L160 PolarHBondContact O-N 2.92Å; L157-L160 PolarHBondContact O-N 3.07Å; L160-K162 VanDerWaalsContact C-N 3.3Å; L160-K162 PolarHBondContact O-N 3.13Å; L160-S163 WeakPolarHBondContact O-CA 3.28Å; L160-S163 WeakPolarHBondContact O-CB 3.5Å; L160-S163 PolarHBondContact O-N 2.8Å; L160-Y164 PolarHBondContact O-N 3.33Å; L160-P171 HydrophobicContact CB-CB 4.34Å; L160-P171 HydrophobicContact CB-CG 4.33Å; L160-P171 HydrophobicContact CD2-CB 3.76Å; L160-P171 HydrophobicContact CD2-CG 4.43Å; L160-P171 VanDerWaalsContact O-CG 3.31Å; L160-P171 WeakPolarHBondContact O-CG 3.4Å; L160-V173 HydrophobicContact CD1-CG2 3.76Å; L160-L233 HydrophobicContact CD1-CD2 4.5Å
161R95.8Very high95.6Very high67 Ų6747.9 Ų47.925%0.25324%0.237SC..Hα-helixtrans-56.4-45.2174.1-178.1-177.6-60.8137.3-8.6111.8L157 S163 Y164 H165 V232 A350L157-R161 WeakPolarHBondContact O-CB 3.35Å; L157-R161 PolarHBondContact O-N 3.38Å; R161-S163 VanDerWaalsContact C-N 3.32Å; R161-S163 PolarHBondContact O-N 3.29Å; R161-Y164 WeakPolarHBondContact O-CB 3.01Å; R161-Y164 PolarHBondContact O-N 2.86Å; R161-H165 VanDerWaalsContact CG-NE2 3.27Å; R161-H165 WeakPolarHBondContact CG-NE2 3.45Å; R161-H165 PolarHBondContact O-CD2 3.16Å; R161-H165 PolarHBondContact O-N 2.86Å; R161-V232 HydrophobicContact CB-CB 4.46Å; R161-V232 HydrophobicContact CB-CG2 4.44Å; R161-V232 HydrophobicContact CG-CB 4.23Å; R161-V232 HydrophobicContact CG-CG1 4.01Å; R161-A350 VanDerWaalsContact CZ-CB 3.48Å
162K94.1Very high95.6Very high102 Ų10248.2 Ų48.244%0.44324%0.238SC..Hα-helixtrans-58.6-43.8174.5-178.3174.1173.8176.40111.9P158 Y159 L160 Y164 H165 E166P158-K162 WeakPolarHBondContact O-CB 3.48Å; P158-K162 PolarHBondContact O-N 3.01Å; Y159-K162 PolarHBondContact O-N 3.27Å; L160-K162 VanDerWaalsContact C-N 3.3Å; L160-K162 PolarHBondContact O-N 3.13Å; K162-Y164 VanDerWaalsContact C-N 3.31Å; K162-Y164 PolarHBondContact O-N 3.38Å; K162-H165 PolarHBondContact O-N 3.2Å; K162-E166 WeakPolarHBondContact CE-OE1 3.45Å; K162-E166 HydrophobicContact CG-CG 4.31Å; K162-E166 IonicContact NZ-OE1 2.87Å; K162-E166 WeakPolarHBondContact O-CB 3.48Å; K162-E166 WeakPolarHBondContact O-CG 3.47Å; K162-E166 PolarHBondContact O-N 3.35Å
163S94.8Very high95.6Very high1 Ų148.2 Ų48.21%0.00724%0.238CC..Hα-helixtrans-60.2-40.8177.1-57.20000111.6P114 V115 Y159 L160 R161 E166 T167P114-S163 WeakPolarHBondContact CA-OG 3.22Å; P114-S163 WeakPolarHBondContact CB-OG 3.35Å; V115-S163 PolarHBondContact N-OG 3.32Å; V115-S163 WeakPolarHBondContact O-CB 3.3Å; V115-S163 PolarHBondContact O-OG 2.99Å; Y159-S163 WeakPolarHBondContact O-CB 3.4Å; Y159-S163 PolarHBondContact O-N 3.13Å; Y159-S163 PolarHBondContact O-OG 3.38Å; L160-S163 WeakPolarHBondContact O-CA 3.28Å; L160-S163 WeakPolarHBondContact O-CB 3.5Å; L160-S163 PolarHBondContact O-N 2.8Å; R161-S163 VanDerWaalsContact C-N 3.32Å; R161-S163 PolarHBondContact O-N 3.29Å; S163-E166 PolarHBondContact O-N 2.92Å; S163-T167 WeakPolarHBondContact O-CB 3.35Å; S163-T167 WeakPolarHBondContact O-CG2 3.47Å; S163-T167 PolarHBondContact O-N 2.89Å; S163-T167 PolarHBondContact O-OG1 2.72Å
164Y94.9Very high95.6Very high55 Ų5548.2 Ų48.222%0.21624%0.238CC..Hα-helixtrans-59.5-51.5172.5170.1-116.5000111.7L160 R161 K162 E166 T167 S168 I169 Y170 V232L160-Y164 PolarHBondContact O-N 3.33Å; R161-Y164 WeakPolarHBondContact O-CB 3.01Å; R161-Y164 PolarHBondContact O-N 2.86Å; K162-Y164 VanDerWaalsContact C-N 3.31Å; K162-Y164 PolarHBondContact O-N 3.38Å; Y164-E166 VanDerWaalsContact C-N 3.29Å; Y164-E166 PolarHBondContact O-N 3.45Å; Y164-T167 PolarHBondContact O-N 2.9Å; Y164-S168 VanDerWaalsContact O-CA 3.27Å; Y164-S168 WeakPolarHBondContact O-CA 3.48Å; Y164-S168 PolarHBondContact O-N 3.23Å; Y164-I169 WeakPolarHBondContact CA-O 3.38Å; Y164-Y170 AromaticContact CD2-CD1 3.59Å; Y164-Y170 HydrophobicContact CD2-CD1 3.59Å; Y164-Y170 AromaticContact CD2-CE1 3.75Å; Y164-Y170 HydrophobicContact CD2-CE1 3.75Å; Y164-Y170 HydrophobicContact CD2-CG 4.2Å; Y164-Y170 HydrophobicContact CE1-CE1 4.17Å; Y164-Y170 AromaticContact CE2-CD1 3.53Å; Y164-Y170 HydrophobicContact CE2-CD1 3.53Å; Y164-Y170 HydrophobicContact CE2-CD2 4.47Å; Y164-Y170 AromaticContact CE2-CE1 3.21Å; Y164-Y170 HydrophobicContact CE2-CE1 3.21Å; Y164-Y170 HydrophobicContact CE2-CE2 4.22Å; Y164-Y170 HydrophobicContact CE2-CG 4.16Å; Y164-Y170 AromaticContact CE2-CZ 3.6Å; Y164-Y170 HydrophobicContact CG-CD1 4.28Å; Y164-Y170 HydrophobicContact CG-CE1 4.42Å; Y164-Y170 AromaticContact CZ-CE1 3.45Å; Y164-Y170 VanDerWaalsContact CZ-CE1 3.45Å; Y164-Y170 AromaticContact CZ-CZ 3.83Å; Y164-Y170 PolarHBondContact OH-OH 3.13Å; Y164-V232 HydrophobicContact CD1-CB 4.33Å; Y164-V232 HydrophobicContact CD1-CG1 4.27Å
165H94.2Very high95.6Very high121 Ų12147.3 Ų47.356%0.5623%0.232SC*.Hα-helixtrans-63.6-32.8-178.6-65.7-51.8000113.4R161 K162R161-H165 VanDerWaalsContact CG-NE2 3.27Å; R161-H165 WeakPolarHBondContact CG-NE2 3.45Å; R161-H165 PolarHBondContact O-CD2 3.16Å; R161-H165 PolarHBondContact O-N 2.86Å; K162-H165 PolarHBondContact O-N 3.2Å
166E93.2Very high95.6Very high112 Ų11245.7 Ų45.752%0.52322%0.223SC..Hα-helixtrans-79.6-32.6179.3-72177.2162.400113.3K162 S163 Y164K162-E166 WeakPolarHBondContact CE-OE1 3.45Å; K162-E166 HydrophobicContact CG-CG 4.31Å; K162-E166 IonicContact NZ-OE1 2.87Å; K162-E166 WeakPolarHBondContact O-CB 3.48Å; K162-E166 WeakPolarHBondContact O-CG 3.47Å; K162-E166 PolarHBondContact O-N 3.35Å; S163-E166 PolarHBondContact O-N 2.92Å; Y164-E166 VanDerWaalsContact C-N 3.29Å; Y164-E166 PolarHBondContact O-N 3.45Å
167T92.2Very high95.6Very high43 Ų4345.9 Ų45.926%0.26423%0.225SC..Hα-helixtrans-110.1-14.6-171.466.30000114.1P114 S163 Y164 I169P114-T167 HydrophobicContact CB-CG2 4.21Å; P114-T167 HydrophobicContact CG-CG2 3.97Å; S163-T167 WeakPolarHBondContact O-CB 3.35Å; S163-T167 WeakPolarHBondContact O-CG2 3.47Å; S163-T167 PolarHBondContact O-N 2.89Å; S163-T167 PolarHBondContact O-OG1 2.72Å; Y164-T167 PolarHBondContact O-N 2.9Å; T167-I169 PolarHBondContact O-N 3.48Å; T167-I169 PolarHBondContact OG1-N 2.82Å
168S91.6Very high95.5Very high103 Ų10346.1 Ų46.172%0.7223%0.228SC*.SBendtrans56.318.1-167.1-54.80000114.2Y164Y164-S168 VanDerWaalsContact O-CA 3.27Å; Y164-S168 WeakPolarHBondContact O-CA 3.48Å; Y164-S168 PolarHBondContact O-N 3.23Å
169I91.3Very high95.4Very high69 Ų6946 Ų4635%0.35423%0.228SC..SBendtrans-107.6126.9175.1-61.1169.7000107.6Y164 T167 P171Y164-I169 WeakPolarHBondContact CA-O 3.38Å; T167-I169 PolarHBondContact O-N 3.48Å; T167-I169 PolarHBondContact OG1-N 2.82Å; I169-P171 WeakPolarHBondContact O-CD 3.32Å
170Y94.6Very high95.3Very high75 Ų7544.5 Ų44.529%0.29423%0.226SC..  trans-65.5115.7172.9-68.7-67.2000110.1Y164 K231Y164-Y170 AromaticContact CD2-CD1 3.59Å; Y164-Y170 HydrophobicContact CD2-CD1 3.59Å; Y164-Y170 AromaticContact CD2-CE1 3.75Å; Y164-Y170 HydrophobicContact CD2-CE1 3.75Å; Y164-Y170 HydrophobicContact CD2-CG 4.2Å; Y164-Y170 HydrophobicContact CE1-CE1 4.17Å; Y164-Y170 AromaticContact CE2-CD1 3.53Å; Y164-Y170 HydrophobicContact CE2-CD1 3.53Å; Y164-Y170 HydrophobicContact CE2-CD2 4.47Å; Y164-Y170 AromaticContact CE2-CE1 3.21Å; Y164-Y170 HydrophobicContact CE2-CE1 3.21Å; Y164-Y170 HydrophobicContact CE2-CE2 4.22Å; Y164-Y170 HydrophobicContact CE2-CG 4.16Å; Y164-Y170 AromaticContact CE2-CZ 3.6Å; Y164-Y170 HydrophobicContact CG-CD1 4.28Å; Y164-Y170 HydrophobicContact CG-CE1 4.42Å; Y164-Y170 AromaticContact CZ-CE1 3.45Å; Y164-Y170 VanDerWaalsContact CZ-CE1 3.45Å; Y164-Y170 AromaticContact CZ-CZ 3.83Å; Y164-Y170 PolarHBondContact OH-OH 3.13Å; Y170-K231 HydrophobicContact CD1-CG 4.28Å; Y170-K231 HydrophobicContact CE1-CD 4.2Å; Y170-K231 HydrophobicContact CE1-CG 3.84Å
171P96.8Very high95.3Very high1 Ų144.4 Ų44.41%0.00623%0.226CC..  trans-62.6147.6172-20.233.8000110H116 L160 I169 V232 L233 D234H116-P171 CarbonylContact O-C 3.53Å; H116-P171 VanDerWaalsContact O-CA 3.24Å; H116-P171 WeakPolarHBondContact O-CA 3.27Å; L160-P171 HydrophobicContact CB-CB 4.34Å; L160-P171 HydrophobicContact CB-CG 4.33Å; L160-P171 HydrophobicContact CD2-CB 3.76Å; L160-P171 HydrophobicContact CD2-CG 4.43Å; L160-P171 VanDerWaalsContact O-CG 3.31Å; L160-P171 WeakPolarHBondContact O-CG 3.4Å; I169-P171 WeakPolarHBondContact O-CD 3.32Å; P171-V232 WeakPolarHBondContact CD-O 3.25Å; P171-L233 CarbonylContact O-C 3.54Å; P171-L233 VanDerWaalsContact O-CA 3.29Å; P171-L233 WeakPolarHBondContact O-CA 3.45Å; P171-L233 VanDerWaalsContact O-CB 3.25Å; P171-L233 WeakPolarHBondContact O-CB 3.29Å; P171-D234 PolarHBondContact O-N 2.97Å
172R97.4Very high95.4Very high25 Ų2547.5 Ų47.59%0.09424%0.241CC..EExtended strand (participates in β ladder)trans-105.7125.3-176.8-49.8-176-176.1-169.92110H116 V117 L118 D234 Y236 C285 A286 S288 D289H116-R172 PolarHBondContact O-N 3.34Å; V117-R172 CarbonylContact C-O 3.59Å; V117-R172 WeakPolarHBondContact CA-O 3.38Å; V117-R172 HydrophobicContact CG2-CB 4.21Å; V117-R172 HydrophobicContact CG2-CG 4.48Å; L118-R172 PolarHBondContact N-O 2.81Å; R172-D234 CarbonylContact C-O 3.59Å; R172-D234 WeakPolarHBondContact CA-O 3.32Å; R172-D234 HydrophobicContact CG-CB 4.49Å; R172-Y236 HydrophobicContact CB-CD2 4.18Å; R172-Y236 HydrophobicContact CB-CE2 3.97Å; R172-Y236 HydrophobicContact CG-CE2 3.95Å; R172-C285 WeakPolarHBondContact CD-O 3.5Å; R172-C285 PolarHBondContact NH1-O 3.41Å; R172-A286 PolarHBondContact NH1-O 2.98Å; R172-S288 VanDerWaalsContact CZ-O 3.28Å; R172-S288 PolarHBondContact NH1-O 3.23Å; R172-S288 PolarHBondContact NH2-O 2.99Å; R172-D289 IonicContact NH2-OD1 2.71Å
173V98.6Very high95.4Very high0 Ų049 Ų490%025%0.247CC..EExtended strand (participates in β ladder)trans-101.7115.3168.6-177.20000108.4L118 T153 L160 V175 L221 L233 D234 V235 Y236L118-V173 HydrophobicContact CD2-CG1 4.38Å; T153-V173 HydrophobicContact CG2-CG1 4.21Å; L160-V173 HydrophobicContact CD1-CG2 3.76Å; V173-V175 HydrophobicContact CG1-CG2 4.46Å; V173-L221 HydrophobicContact CB-CD2 3.93Å; V173-L221 HydrophobicContact CG1-CD2 3.69Å; V173-L221 HydrophobicContact CG2-CD2 4.31Å; V173-L233 HydrophobicContact CG2-CD2 4.2Å; V173-D234 PolarHBondContact N-O 3.25Å; V173-V235 WeakPolarHBondContact O-CA 3.49Å; V173-Y236 PolarHBondContact O-N 3.05Å
174I98.8Very high95.5Very high0 Ų049 Ų490%025%0.247CC..EExtended strand (participates in β ladder)trans-109.2120.9-177.4-56.8175.9000109.2V117 L118 I119 N120 Y236 L238 I282 C285 A286V117-I174 HydrophobicContact CG1-CD1 3.76Å; V117-I174 HydrophobicContact CG1-CG1 4.32Å; L118-I174 PolarHBondContact O-N 3.47Å; I119-I174 HydrophobicContact CG1-CD1 4.4Å; N120-I174 WeakPolarHBondContact CB-O 3.36Å; N120-I174 PolarHBondContact N-O 3.05Å; I174-Y236 CarbonylContact C-O 3.58Å; I174-Y236 WeakPolarHBondContact CA-O 3.49Å; I174-Y236 HydrophobicContact CG1-CD2 4.31Å; I174-L238 HydrophobicContact CG2-CD2 3.51Å; I174-L238 HydrophobicContact CG2-CG 4.42Å; I174-I282 HydrophobicContact CG2-CG2 4.4Å; I174-C285 HydrophobicContact CD1-CB 3.9Å; I174-C285 HydrophobicContact CG1-CB 4.3Å; I174-A286 HydrophobicContact CD1-CB 3.71Å
175V98.8Very high95.6Very high4 Ų450.8 Ų50.82%0.02426%0.264CS..EExtended strand (participates in β ladder)trans-108.1115.8179.5-177.90000110V173 S177 C214 F217 S218 Y236 C237 L238V173-V175 HydrophobicContact CG1-CG2 4.46Å; V175-S177 PolarHBondContact O-N 3.36Å; V175-C214 HydrophobicContact CG1-CB 3.77Å; V175-F217 HydrophobicContact CG2-CD1 4.04Å; V175-F217 HydrophobicContact CG2-CE1 3.96Å; V175-S218 VanDerWaalsContact CB-OG 3.27Å; V175-S218 WeakPolarHBondContact CB-OG 3.3Å; V175-S218 WeakPolarHBondContact CG2-OG 3.42Å; V175-Y236 PolarHBondContact N-O 2.86Å; V175-C237 WeakPolarHBondContact O-CA 3.24Å; V175-L238 PolarHBondContact O-N 3.13Å
176V98.2Very high95.6Very high9 Ų946.5 Ų46.56%0.05524%0.244CC..EExtended strand (participates in β ladder)trans-85.1101.7178.8-175.20000110I119 N120 N121 K211 L238 T240 I282I119-V176 HydrophobicContact CG2-CG2 4.44Å; N120-V176 PolarHBondContact O-N 3.12Å; N121-V176 HydrophobicContact CB-CG2 3.89Å; V176-K211 PolarHBondContact O-NZ 3.35Å; V176-L238 HydrophobicContact CG1-CD1 4.16Å; V176-L238 HydrophobicContact CG2-CD1 4.29Å; V176-T240 HydrophobicContact CG1-CG2 4.36Å; V176-I282 HydrophobicContact CG2-CD1 3.63Å; V176-I282 HydrophobicContact CG2-CG1 3.96Å
177S97.3Very high95.7Very high5 Ų543 Ų434%0.03523%0.232CC..  trans-96.5-160.4177.1-166.50000112V175 K211 N215 L238V175-S177 PolarHBondContact O-N 3.36Å; S177-K211 PolarHBondContact OG-O 3.35Å; S177-K211 VanDerWaalsContact OG-O 3.1Å; S177-N215 WeakPolarHBondContact CB-OD1 3.26Å; S177-N215 PolarHBondContact OG-OD1 3.31Å; S177-L238 CarbonylContact C-O 3.53Å; S177-L238 WeakPolarHBondContact CA-O 3.27Å; S177-L238 PolarHBondContact N-O 3.01Å
178S95.3Very high95.8Very high20 Ų2041.1 Ų41.114%0.1422%0.22CC..  trans-151.4148177.7178.80000110.8L180 S181 F239S178-L180 PolarHBondContact O-N 2.82Å; S178-L180 PolarHBondContact OG-N 2.81Å; S178-S181 VanDerWaalsContact O-CB 3.28Å; S178-S181 WeakPolarHBondContact O-CB 3.31Å; S178-S181 PolarHBondContact O-N 2.82Å; S178-S181 PolarHBondContact O-OG 3.16Å; S178-S181 VanDerWaalsContact O-OG 3.05Å; S178-F239 VanDerWaalsContact O-CE1 3.25Å; S178-F239 WeakPolarHBondContact O-CE1 3.43Å
179S93.3Very high95.8Very high66 Ų6640.8 Ų40.846%0.46221%0.207SC..G310 helixtrans-57.7-13.8170.266.60000114.2S181 K182S179-S181 VanDerWaalsContact C-N 3.25Å; S179-K182 WeakPolarHBondContact O-CD 3.4Å; S179-K182 WeakPolarHBondContact O-CG 3.42Å
180L94.2Very high95.9Very high55 Ų5542.7 Ų42.729%0.28822%0.218SC..G310 helixtrans-73.5-13.8171.5-67.9177.4000113.1S178 K182 K183 Y207 S208S178-L180 PolarHBondContact O-N 2.82Å; S178-L180 PolarHBondContact OG-N 2.81Å; L180-K182 PolarHBondContact O-N 2.82Å; L180-K182 VanDerWaalsContact O-N 3.16Å; L180-K183 HydrophobicContact CD2-CD 4.41Å; L180-K183 WeakPolarHBondContact O-CB 3.27Å; L180-K183 PolarHBondContact O-N 3.47Å; L180-Y207 HydrophobicContact CB-CD1 4.39Å; L180-Y207 HydrophobicContact CB-CE1 4.35Å; L180-Y207 HydrophobicContact CD1-CD1 3.95Å; L180-Y207 HydrophobicContact CD1-CE1 3.87Å; L180-S208 WeakPolarHBondContact O-CB 3.12Å
181S96.7Very high95.9Very high0 Ų039.6 Ų39.60%021%0.207CC..G310 helixtrans-57.3-29174.768.30000112.6S178 S179 K183 G184 K211 N215 N324S178-S181 VanDerWaalsContact O-CB 3.28Å; S178-S181 WeakPolarHBondContact O-CB 3.31Å; S178-S181 PolarHBondContact O-N 2.82Å; S178-S181 PolarHBondContact O-OG 3.16Å; S178-S181 VanDerWaalsContact O-OG 3.05Å; S179-S181 VanDerWaalsContact C-N 3.25Å; S181-K183 PolarHBondContact O-N 2.84Å; S181-K183 VanDerWaalsContact O-N 3.1Å; S181-G184 PolarHBondContact O-N 2.84Å; S181-K211 VanDerWaalsContact CB-C 3.47Å; S181-K211 WeakPolarHBondContact CB-O 3.47Å; S181-N215 PolarHBondContact OG-ND2 3.19Å; S181-N324 PolarHBondContact O-ND2 2.85Å
182K96.5Very high95.8Very high132 Ų13240 Ų4057%0.57421%0.208SC*.G310 helixtrans-60.7-17.7174.877.7-171.1177.6169.30114.5S179 L180 P322 N324S179-K182 WeakPolarHBondContact O-CD 3.4Å; S179-K182 WeakPolarHBondContact O-CG 3.42Å; L180-K182 PolarHBondContact O-N 2.82Å; L180-K182 VanDerWaalsContact O-N 3.16Å; K182-P322 HydrophobicContact CB-CB 3.94Å; K182-P322 HydrophobicContact CB-CG 4.33Å; K182-N324 PolarHBondContact O-ND2 3.11Å
183K95.7Very high95.6Very high133 Ų13344 Ų4458%0.57823%0.228SC*.G310 helixtrans-96.4-5.7175.1-61.2-172.3177-172.30112.6L180 S181L180-K183 HydrophobicContact CD2-CD 4.41Å; L180-K183 WeakPolarHBondContact O-CB 3.27Å; L180-K183 PolarHBondContact O-N 3.47Å; S181-K183 PolarHBondContact O-N 2.84Å; S181-K183 VanDerWaalsContact O-N 3.1Å
184G96.2Very high95.4Very high0 Ų047.4 Ų47.40%025%0.25CS..  trans-69.7137.8176.100000110.4S181 D209 L212 N324S181-G184 PolarHBondContact O-N 2.84Å; G184-D209 VanDerWaalsContact CA-OD1 3.29Å; G184-D209 WeakPolarHBondContact CA-OD1 3.5Å; G184-L212 WeakPolarHBondContact O-CD2 3.48Å; G184-N324 PolarHBondContact O-ND2 3.41Å
185T95.8Very high94.9Very high94 Ų9449.8 Ų49.858%0.57726%0.26SS*.  trans-152.2114.1179.866.20000108.9K205 D209T185-K205 PolarHBondContact O-NZ 3.08Å; T185-K205 WeakPolarHBondContact OG1-CE 3.35Å; T185-D209 PolarHBondContact N-OD1 3.3Å
186F95.9Very high94.2Very high31 Ų3153.6 Ų53.614%0.13628%0.28CS..  trans-152155.7179.859.7-107.1000111.5L191 D209 L212 A213 L216 L330 L334F186-L191 HydrophobicContact CB-CB 4.18Å; F186-L191 HydrophobicContact CB-CD1 4.21Å; F186-L191 HydrophobicContact CD1-CD1 3.74Å; F186-L191 HydrophobicContact CD1-CD2 4.15Å; F186-L191 HydrophobicContact CD1-CG 4.4Å; F186-L191 HydrophobicContact CD2-CB 3.99Å; F186-L191 HydrophobicContact CD2-CD1 4.48Å; F186-L191 HydrophobicContact CD2-CD2 3.91Å; F186-L191 HydrophobicContact CD2-CG 4.35Å; F186-L191 HydrophobicContact CE1-CD1 4.16Å; F186-L191 HydrophobicContact CE1-CD2 3.9Å; F186-L191 HydrophobicContact CE2-CD2 3.69Å; F186-L191 HydrophobicContact CG-CB 4.06Å; F186-L191 HydrophobicContact CG-CD1 3.91Å; F186-L191 HydrophobicContact CG-CD2 4.14Å; F186-L191 HydrophobicContact CG-CG 4.25Å; F186-L191 HydrophobicContact CZ-CD2 3.66Å; F186-D209 HydrophobicContact CD1-CB 3.95Å; F186-L212 HydrophobicContact CD1-CD2 4.06Å; F186-L212 HydrophobicContact CE1-CB 3.99Å; F186-L212 HydrophobicContact CE1-CD2 3.71Å; F186-L212 HydrophobicContact CE1-CG 3.79Å; F186-L212 HydrophobicContact CZ-CD2 4.32Å; F186-L212 HydrophobicContact CZ-CG 4.27Å; F186-A213 HydrophobicContact CE1-CB 4.31Å; F186-A213 HydrophobicContact CZ-CB 4.24Å; F186-L216 HydrophobicContact CE2-CD1 4.28Å; F186-L216 HydrophobicContact CZ-CD1 3.72Å; F186-L330 HydrophobicContact CE2-CD1 4.17Å; F186-L330 HydrophobicContact CE2-CD2 4.17Å; F186-L330 HydrophobicContact CE2-CG 4.33Å; F186-L334 HydrophobicContact CE2-CD1 4.37Å; F186-L334 HydrophobicContact CE2-CD2 4.42Å; F186-L334 HydrophobicContact CZ-CD2 4.08Å
187S94.6Very high93.4Very high39 Ų3959.1 Ų59.127%0.27331%0.313SS..  trans-86.7157.8149.4710000108.8E189 D190 L191S187-E189 VanDerWaalsContact C-N 3.26Å; S187-E189 PolarHBondContact O-N 3.35Å; S187-D190 PolarHBondContact O-N 2.93Å; S187-D190 VanDerWaalsContact OG-CB 3.25Å; S187-D190 WeakPolarHBondContact OG-CB 3.43Å; S187-D190 PolarHBondContact OG-N 2.94Å; S187-D190 VanDerWaalsContact OG-N 3.07Å; S187-D190 PolarHBondContact OG-OD2 2.98Å; S187-L191 WeakPolarHBondContact O-CB 3.44Å; S187-L191 PolarHBondContact O-N 3.27Å
188T94Very high92.1Very high2 Ų262.8 Ų62.81%0.01234%0.344CS..Hα-helixtrans-64.1-38.2-179.7-54.60000110.8L191 F192 L334 Y337T188-L191 PolarHBondContact O-N 3.32Å; T188-F192 HydrophobicContact CG2-CD2 4.32Å; T188-F192 HydrophobicContact CG2-CE2 4.43Å; T188-F192 WeakPolarHBondContact O-CD2 3.43Å; T188-F192 PolarHBondContact O-N 2.78Å; T188-L334 HydrophobicContact CG2-CD1 4.05Å; T188-Y337 HydrophobicContact CG2-CD1 3.92Å; T188-Y337 HydrophobicContact CG2-CD2 3.61Å; T188-Y337 HydrophobicContact CG2-CE2 4.39Å; T188-Y337 HydrophobicContact CG2-CG 3.34Å
189E92.7Very high90.8Very high97 Ų9764.1 Ų64.145%0.45335%0.354SS..Hα-helixtrans-61.6-48.1177.1-63.671.4-157.800111.2S187 L191 F192 Q193 Y337S187-E189 VanDerWaalsContact C-N 3.26Å; S187-E189 PolarHBondContact O-N 3.35Å; E189-L191 VanDerWaalsContact C-N 3.31Å; E189-L191 PolarHBondContact O-N 3.07Å; E189-F192 PolarHBondContact O-N 3.47Å; E189-Q193 WeakPolarHBondContact O-CG 3.46Å; E189-Q193 PolarHBondContact O-N 2.94Å; E189-Y337 HydrophobicContact CG-CE2 4.26Å
190D92.3Very high89.4Confident109 Ų10968.7 Ų68.758%0.58337%0.373SS*.Hα-helixtrans-65.4-36.1179.3-65.9-34000112S187 F192 Q193S187-D190 PolarHBondContact O-N 2.93Å; S187-D190 VanDerWaalsContact OG-CB 3.25Å; S187-D190 WeakPolarHBondContact OG-CB 3.43Å; S187-D190 PolarHBondContact OG-N 2.94Å; S187-D190 VanDerWaalsContact OG-N 3.07Å; S187-D190 PolarHBondContact OG-OD2 2.98Å; D190-F192 VanDerWaalsContact C-N 3.26Å; D190-F192 PolarHBondContact O-N 3.22Å; D190-Q193 PolarHBondContact O-N 3.43Å
191L94.8Very high88.7Confident9 Ų968.2 Ų68.25%0.04737%0.37CS..Hα-helixtrans-62.1-37.3-179.3-170.766.4000111.5L142 F186 S187 T188 E189 D209 A213 L334L142-L191 HydrophobicContact CD1-CD1 3.84Å; L142-L191 HydrophobicContact CD1-CD2 3.92Å; L142-L191 HydrophobicContact CD1-CG 3.85Å; L142-L191 HydrophobicContact CD2-CD1 4.1Å; L142-L191 HydrophobicContact CD2-CD2 4.48Å; L142-L191 HydrophobicContact CD2-CG 3.73Å; L142-L191 WeakPolarHBondContact CD2-O 3.37Å; L142-L191 HydrophobicContact CG-CG 4.46Å; F186-L191 HydrophobicContact CB-CB 4.18Å; F186-L191 HydrophobicContact CB-CD1 4.21Å; F186-L191 HydrophobicContact CD1-CD1 3.74Å; F186-L191 HydrophobicContact CD1-CD2 4.15Å; F186-L191 HydrophobicContact CD1-CG 4.4Å; F186-L191 HydrophobicContact CD2-CB 3.99Å; F186-L191 HydrophobicContact CD2-CD1 4.48Å; F186-L191 HydrophobicContact CD2-CD2 3.91Å; F186-L191 HydrophobicContact CD2-CG 4.35Å; F186-L191 HydrophobicContact CE1-CD1 4.16Å; F186-L191 HydrophobicContact CE1-CD2 3.9Å; F186-L191 HydrophobicContact CE2-CD2 3.69Å; F186-L191 HydrophobicContact CG-CB 4.06Å; F186-L191 HydrophobicContact CG-CD1 3.91Å; F186-L191 HydrophobicContact CG-CD2 4.14Å; F186-L191 HydrophobicContact CG-CG 4.25Å; F186-L191 HydrophobicContact CZ-CD2 3.66Å; S187-L191 WeakPolarHBondContact O-CB 3.44Å; S187-L191 PolarHBondContact O-N 3.27Å; T188-L191 PolarHBondContact O-N 3.32Å; E189-L191 VanDerWaalsContact C-N 3.31Å; E189-L191 PolarHBondContact O-N 3.07Å; L191-D209 HydrophobicContact CD1-CB 3.85Å; L191-A213 HydrophobicContact CD2-CB 4.2Å; L191-L334 HydrophobicContact CD2-CD1 3.73Å
192F95.7Very high88.2Confident10 Ų1072.2 Ų72.24%0.04439%0.392CS..THydrogen-bonded Turntrans-95.86.5-178-77.7-94.1000114.2I138 Y146 V147 T188 E189 D190 L334 Y337 T338 F341I138-F192 HydrophobicContact CG2-CD1 4.39Å; I138-F192 WeakPolarHBondContact CG2-O 3.39Å; Y146-F192 HydrophobicContact CE1-CE2 4.37Å; Y146-F192 AromaticContact CE1-CZ 3.96Å; Y146-F192 HydrophobicContact CE1-CZ 3.96Å; V147-F192 HydrophobicContact CG2-CE1 3.79Å; V147-F192 HydrophobicContact CG2-CZ 4.03Å; T188-F192 HydrophobicContact CG2-CD2 4.32Å; T188-F192 HydrophobicContact CG2-CE2 4.43Å; T188-F192 WeakPolarHBondContact O-CD2 3.43Å; T188-F192 PolarHBondContact O-N 2.78Å; E189-F192 PolarHBondContact O-N 3.47Å; D190-F192 VanDerWaalsContact C-N 3.26Å; D190-F192 PolarHBondContact O-N 3.22Å; F192-L334 HydrophobicContact CE2-CD1 3.79Å; F192-Y337 HydrophobicContact CB-CD1 4.37Å; F192-Y337 HydrophobicContact CB-CE1 3.63Å; F192-Y337 HydrophobicContact CD1-CD1 4.45Å; F192-Y337 HydrophobicContact CD1-CE1 4.3Å; F192-Y337 AromaticContact CD2-CD1 3.78Å; F192-Y337 HydrophobicContact CD2-CD1 3.78Å; F192-Y337 AromaticContact CD2-CE1 3.91Å; F192-Y337 HydrophobicContact CD2-CE1 3.91Å; F192-Y337 HydrophobicContact CE2-CD1 4.13Å; F192-Y337 AromaticContact CG-CD1 3.95Å; F192-Y337 HydrophobicContact CG-CD1 3.95Å; F192-Y337 AromaticContact CG-CE1 3.69Å; F192-Y337 HydrophobicContact CG-CE1 3.69Å; F192-T338 HydrophobicContact CZ-CG2 4.06Å; F192-T338 VanDerWaalsContact CZ-OG1 3.3Å; F192-T338 WeakPolarHBondContact CZ-OG1 3.46Å; F192-F341 HydrophobicContact CD1-CB 4.28Å; F192-F341 AromaticContact CD1-CD1 3.98Å; F192-F341 HydrophobicContact CD1-CD1 3.98Å; F192-F341 AromaticContact CD1-CD2 3.53Å; F192-F341 HydrophobicContact CD1-CD2 3.53Å; F192-F341 HydrophobicContact CD1-CE1 4.16Å; F192-F341 AromaticContact CD1-CE2 3.71Å; F192-F341 HydrophobicContact CD1-CE2 3.71Å; F192-F341 AromaticContact CD1-CG 3.66Å; F192-F341 HydrophobicContact CD1-CG 3.66Å; F192-F341 HydrophobicContact CD1-CZ 4.03Å; F192-F341 HydrophobicContact CE1-CB 4.12Å; F192-F341 AromaticContact CE1-CD1 3.67Å; F192-F341 HydrophobicContact CE1-CD1 3.67Å; F192-F341 HydrophobicContact CE1-CD2 4.06Å; F192-F341 HydrophobicContact CE1-CE1 4.04Å; F192-F341 HydrophobicContact CE1-CE2 4.38Å; F192-F341 AromaticContact CE1-CG 3.68Å; F192-F341 HydrophobicContact CE1-CG 3.68Å; F192-F341 HydrophobicContact CE1-CZ 4.37Å; F192-F341 HydrophobicContact CG-CD2 4.45Å
193Q92.9Very high87.9Confident109 Ų10966.7 Ų66.751%0.50937%0.37SS..SBendtrans-60.4140.5172.9-73.5-61.9-31.800111.2E189 D190 Y195E189-Q193 WeakPolarHBondContact O-CG 3.46Å; E189-Q193 PolarHBondContact O-N 2.94Å; D190-Q193 PolarHBondContact O-N 3.43Å; Q193-Y195 PolarHBondContact O-N 2.87Å
194P92.9Very high87.7Confident71 Ų7165.2 Ų65.246%0.46137%0.368SS..PPolyproline II helixtrans-52135.1170.1-28.136.4000111.1D137 N196D137-P194 HydrophobicContact CB-CB 4.2Å; P194-N196 PolarHBondContact O-N 3.09Å
195Y89.2Confident87.6Confident51 Ų5168.2 Ų68.220%0.238%0.381CS..PPolyproline II helixtrans-61.4126.1177.4171.3-99.6000110L129 P131 D137 N139 Q193 T197L129-Y195 HydrophobicContact CB-CD2 4.32Å; L129-Y195 HydrophobicContact CB-CE2 3.64Å; L129-Y195 HydrophobicContact CD1-CE2 4.27Å; P131-Y195 HydrophobicContact CB-CD1 4.4Å; P131-Y195 HydrophobicContact CG-CD1 4.45Å; D137-Y195 VanDerWaalsContact O-CB 3.24Å; D137-Y195 WeakPolarHBondContact O-CB 3.14Å; D137-Y195 PolarHBondContact O-N 3.03Å; N139-Y195 HydrophobicContact CB-CD2 4.24Å; Q193-Y195 PolarHBondContact O-N 2.87Å; Y195-T197 HydrophobicContact CE1-CG2 4.12Å
196N85Confident87.6Confident84 Ų8463.9 Ų63.945%0.44936%0.355SS..  trans-124.5132.1178.6165.215.1000108.6P194 A198 S199P194-N196 PolarHBondContact O-N 3.09Å; N196-A198 PolarHBondContact O-N 3.04Å; N196-A198 WeakPolarHBondContact OD1-CB 3.37Å; N196-A198 PolarHBondContact OD1-N 2.93Å; N196-S199 WeakPolarHBondContact O-CB 3.21Å; N196-S199 PolarHBondContact O-N 3.34Å; N196-S199 PolarHBondContact O-OG 2.83Å
197T79.5Confident87.6Confident124 Ų12463.2 Ų63.276%0.76135%0.351SS*.THydrogen-bonded Turntrans-63.2-22.4177.2490000113.9Y195 S199Y195-T197 HydrophobicContact CE1-CG2 4.12Å; T197-S199 VanDerWaalsContact C-N 3.33Å
198A71Confident87.7Confident83 Ų8361.7 Ų61.769%0.68634%0.341SS*.THydrogen-bonded Turntrans-82.8-6.6175.100000113.6N196N196-A198 PolarHBondContact O-N 3.04Å; N196-A198 WeakPolarHBondContact OD1-CB 3.37Å; N196-A198 PolarHBondContact OD1-N 2.93Å
199S68.8Low87.8Confident48 Ų4861.9 Ų61.934%0.33634%0.342SS..SBendtrans-73.9144.6173.868.60000111N196 T197 L201N196-S199 WeakPolarHBondContact O-CB 3.21Å; N196-S199 PolarHBondContact O-N 3.34Å; N196-S199 PolarHBondContact O-OG 2.83Å; T197-S199 VanDerWaalsContact C-N 3.33Å; S199-L201 PolarHBondContact O-N 2.87Å; S199-L201 WeakPolarHBondContact OG-CB 3.49Å
200D63.9Low88.1Confident161 Ų16157.3 Ų57.386%0.86132%0.32SS*.SBendtrans-65.83.9171.7-70.4-36000113.2N202D200-N202 PolarHBondContact O-N 3.44Å
201L78.3Confident88.4Confident45 Ų4552.5 Ų52.524%0.23629%0.294CS..  trans-69.799.9-179-169.169.5000110.1L129 N139 S199 K205 A206L129-L201 HydrophobicContact CD1-CD2 4.4Å; L129-L201 HydrophobicContact CD1-CG 4.06Å; L129-L201 VanDerWaalsContact CD1-O 3.25Å; L129-L201 WeakPolarHBondContact CD1-O 3.48Å; N139-L201 HydrophobicContact CB-CD2 4.12Å; S199-L201 PolarHBondContact O-N 2.87Å; S199-L201 WeakPolarHBondContact OG-CB 3.49Å; L201-K205 HydrophobicContact CD1-CB 4.09Å; L201-K205 HydrophobicContact CD1-CG 3.78Å; L201-A206 HydrophobicContact CD1-CB 4.07Å; L201-A206 HydrophobicContact CD2-CB 4.32Å; L201-A206 HydrophobicContact CG-CB 4.12Å
202N86.6Confident88.5Confident84 Ų8452.2 Ų52.245%0.44929%0.293SS..  trans-94.6166.3169.36758.7000111.7D200 N204 K205 A206D200-N202 PolarHBondContact O-N 3.44Å; N202-N204 PolarHBondContact O-N 3.03Å; N202-N204 VanDerWaalsContact O-N 3.13Å; N202-N204 WeakPolarHBondContact OD1-CA 3.4Å; N202-N204 WeakPolarHBondContact OD1-CB 3.25Å; N202-N204 PolarHBondContact OD1-N 2.96Å; N202-K205 PolarHBondContact O-N 2.92Å; N202-K205 VanDerWaalsContact O-N 3.11Å; N202-K205 PolarHBondContact OD1-N 3.16Å; N202-A206 PolarHBondContact O-N 2.96Å
203S90.6Very high88.7Confident16 Ų1651.7 Ų51.711%0.11229%0.291CS..Hα-helixtrans-56.4-32-177.8-580000114.2F125 P126 K127 Y207F125-S203 WeakPolarHBondContact CE2-O 3.23Å; P126-S203 VanDerWaalsContact O-CB 3.28Å; P126-S203 WeakPolarHBondContact O-CB 3.45Å; P126-S203 PolarHBondContact O-OG 2.79Å; K127-S203 PolarHBondContact O-OG 3.47Å; S203-Y207 WeakPolarHBondContact O-CB 3.45Å; S203-Y207 PolarHBondContact O-N 3.46Å
204N92.1Very high89Confident103 Ų10346.7 Ų46.755%0.55127%0.268SS*.Hα-helixtrans-70.3-44.1178.5-68.3-47.5000111.5F125 N202 Y207 S208F125-N204 VanDerWaalsContact CZ-OD1 3.29Å; F125-N204 WeakPolarHBondContact CZ-OD1 3.38Å; N202-N204 PolarHBondContact O-N 3.03Å; N202-N204 VanDerWaalsContact O-N 3.13Å; N202-N204 WeakPolarHBondContact OD1-CA 3.4Å; N202-N204 WeakPolarHBondContact OD1-CB 3.25Å; N202-N204 PolarHBondContact OD1-N 2.96Å; N204-Y207 PolarHBondContact O-N 3.28Å; N204-S208 WeakPolarHBondContact O-CB 3.49Å; N204-S208 PolarHBondContact O-N 3.31Å; N204-S208 PolarHBondContact O-OG 3.41Å
205K93.8Very high89.2Confident63 Ų6343.3 Ų43.327%0.27425%0.246SC..Hα-helixtrans-64.8-51.4177.3-177.757.7165.964.90110.3T185 L201 N202 Y207 S208 D209T185-K205 PolarHBondContact O-NZ 3.08Å; T185-K205 WeakPolarHBondContact OG1-CE 3.35Å; L201-K205 HydrophobicContact CD1-CB 4.09Å; L201-K205 HydrophobicContact CD1-CG 3.78Å; N202-K205 PolarHBondContact O-N 2.92Å; N202-K205 VanDerWaalsContact O-N 3.11Å; N202-K205 PolarHBondContact OD1-N 3.16Å; K205-Y207 VanDerWaalsContact C-N 3.27Å; K205-Y207 PolarHBondContact O-N 3.25Å; K205-S208 PolarHBondContact O-N 2.8Å; K205-D209 IonicContact NZ-OD1 2.93Å; K205-D209 PolarHBondContact NZ-OD1 3.45Å; K205-D209 IonicContact NZ-OD2 3.86Å; K205-D209 PolarHBondContact NZ-OD2 3.38Å; K205-D209 VanDerWaalsContact O-CG 3.26Å; K205-D209 PolarHBondContact O-N 3.26Å
206A95.2Very high89.7Confident2 Ų240.9 Ų40.92%0.01724%0.236CC..Hα-helixtrans-55.6-40.6176.700000112.8L129 L201 N202 S210L129-A206 HydrophobicContact CD1-CB 3.79Å; L129-A206 HydrophobicContact CD2-CB 3.81Å; L129-A206 HydrophobicContact CG-CB 4.46Å; L201-A206 HydrophobicContact CD1-CB 4.07Å; L201-A206 HydrophobicContact CD2-CB 4.32Å; L201-A206 HydrophobicContact CG-CB 4.12Å; N202-A206 PolarHBondContact O-N 2.96Å; A206-S210 VanDerWaalsContact O-CB 3.29Å; A206-S210 WeakPolarHBondContact O-CB 3.33Å; A206-S210 PolarHBondContact O-N 3.32Å; A206-S210 PolarHBondContact O-OG 3.43Å
207Y95.9Very high90.3Very high17 Ų1737.2 Ų37.27%0.06722%0.216CC..Hα-helixtrans-66.7-46.9175.2-175.6-100.6000112.6F125 T141 L180 S203 N204 K205 D209 S210 K211 L248F125-Y207 HydrophobicContact CB-CD2 4.3Å; F125-Y207 HydrophobicContact CD2-CD1 4.18Å; F125-Y207 AromaticContact CD2-CD2 3.58Å; F125-Y207 HydrophobicContact CD2-CD2 3.58Å; F125-Y207 HydrophobicContact CD2-CE2 4.28Å; F125-Y207 AromaticContact CD2-CG 3.49Å; F125-Y207 HydrophobicContact CD2-CG 3.49Å; F125-Y207 VanDerWaalsContact CD2-CG 3.49Å; F125-Y207 HydrophobicContact CE2-CD1 4.37Å; F125-Y207 HydrophobicContact CE2-CD2 4.45Å; F125-Y207 AromaticContact CE2-CG 3.92Å; F125-Y207 HydrophobicContact CE2-CG 3.92Å; F125-Y207 HydrophobicContact CG-CD2 4.44Å; T141-Y207 HydrophobicContact CG2-CD2 4.12Å; L180-Y207 HydrophobicContact CB-CD1 4.39Å; L180-Y207 HydrophobicContact CB-CE1 4.35Å; L180-Y207 HydrophobicContact CD1-CD1 3.95Å; L180-Y207 HydrophobicContact CD1-CE1 3.87Å; S203-Y207 WeakPolarHBondContact O-CB 3.45Å; S203-Y207 PolarHBondContact O-N 3.46Å; N204-Y207 PolarHBondContact O-N 3.28Å; K205-Y207 VanDerWaalsContact C-N 3.27Å; K205-Y207 PolarHBondContact O-N 3.25Å; Y207-D209 VanDerWaalsContact C-N 3.34Å; Y207-D209 PolarHBondContact O-N 3.48Å; Y207-S210 PolarHBondContact O-N 2.85Å; Y207-S210 PolarHBondContact O-OG 2.83Å; Y207-K211 HydrophobicContact CD1-CG 4.26Å; Y207-K211 HydrophobicContact CE1-CG 3.89Å; Y207-K211 HydrophobicContact CE2-CG 4.23Å; Y207-K211 WeakPolarHBondContact O-CG 3.33Å; Y207-K211 PolarHBondContact O-N 2.89Å; Y207-K211 WeakPolarHBondContact OH-CE 3.42Å; Y207-L248 HydrophobicContact CE2-CD2 4.27Å
208S96.4Very high91.3Very high7 Ų731.5 Ų31.55%0.04918%0.181CC..Hα-helixtrans-61.4-43.5179.9-55.30000111.2L180 N204 K205 K211 L212L180-S208 WeakPolarHBondContact O-CB 3.12Å; N204-S208 WeakPolarHBondContact O-CB 3.49Å; N204-S208 PolarHBondContact O-N 3.31Å; N204-S208 PolarHBondContact O-OG 3.41Å; K205-S208 PolarHBondContact O-N 2.8Å; S208-K211 PolarHBondContact O-N 2.83Å; S208-L212 PolarHBondContact O-N 3.28Å
209D97.2Very high92.6Very high7 Ų729.9 Ų29.94%0.03716%0.157CC..Hα-helixtrans-62.8-46.3174.7-64.2-24.6000111.6G184 T185 F186 L191 K205 Y207 K211 L212 A213G184-D209 VanDerWaalsContact CA-OD1 3.29Å; G184-D209 WeakPolarHBondContact CA-OD1 3.5Å; T185-D209 PolarHBondContact N-OD1 3.3Å; F186-D209 HydrophobicContact CD1-CB 3.95Å; L191-D209 HydrophobicContact CD1-CB 3.85Å; K205-D209 IonicContact NZ-OD1 2.93Å; K205-D209 PolarHBondContact NZ-OD1 3.45Å; K205-D209 IonicContact NZ-OD2 3.86Å; K205-D209 PolarHBondContact NZ-OD2 3.38Å; K205-D209 VanDerWaalsContact O-CG 3.26Å; K205-D209 PolarHBondContact O-N 3.26Å; Y207-D209 VanDerWaalsContact C-N 3.34Å; Y207-D209 PolarHBondContact O-N 3.48Å; D209-K211 PolarHBondContact O-N 3.02Å; D209-L212 WeakPolarHBondContact O-CB 3.18Å; D209-L212 PolarHBondContact O-N 2.83Å; D209-L212 VanDerWaalsContact O-N 3.13Å; D209-A213 PolarHBondContact O-N 2.77Å
210S98.1Very high94Very high0 Ų027.9 Ų27.90%014%0.143CC..Hα-helixtrans-60.4-33.917877.20000112.6N145 A206 Y207 A213 C214N145-S210 PolarHBondContact ND2-OG 3.29Å; A206-S210 VanDerWaalsContact O-CB 3.29Å; A206-S210 WeakPolarHBondContact O-CB 3.33Å; A206-S210 PolarHBondContact O-N 3.32Å; A206-S210 PolarHBondContact O-OG 3.43Å; Y207-S210 PolarHBondContact O-N 2.85Å; Y207-S210 PolarHBondContact O-OG 2.83Å; S210-A213 WeakPolarHBondContact O-CB 3.44Å; S210-A213 PolarHBondContact O-N 3.05Å; S210-C214 PolarHBondContact O-N 3.21Å; S210-C214 PolarHBondContact O-SG 2.65Å
211K98Very high95.6Very high8 Ų820.2 Ų20.24%0.03510%0.102CC..Hα-helixtrans-80.2-29177.9-66.1-59.6-174.7-1750112.6V176 S177 S181 Y207 S208 D209 C214 N215V176-K211 PolarHBondContact O-NZ 3.35Å; S177-K211 PolarHBondContact OG-O 3.35Å; S177-K211 VanDerWaalsContact OG-O 3.1Å; S181-K211 VanDerWaalsContact CB-C 3.47Å; S181-K211 WeakPolarHBondContact CB-O 3.47Å; Y207-K211 HydrophobicContact CD1-CG 4.26Å; Y207-K211 HydrophobicContact CE1-CG 3.89Å; Y207-K211 HydrophobicContact CE2-CG 4.23Å; Y207-K211 WeakPolarHBondContact O-CG 3.33Å; Y207-K211 PolarHBondContact O-N 2.89Å; Y207-K211 WeakPolarHBondContact OH-CE 3.42Å; S208-K211 PolarHBondContact O-N 2.83Å; D209-K211 PolarHBondContact O-N 3.02Å; K211-C214 WeakPolarHBondContact O-CB 3.45Å; K211-C214 PolarHBondContact O-N 3.07Å; K211-N215 PolarHBondContact O-N 2.92Å; K211-N215 VanDerWaalsContact O-N 3.13Å; K211-N215 PolarHBondContact O-OD1 3.03Å
212L98.4Very high96.5Very high3 Ų320 Ų202%0.01610%0.099CC..Hα-helixtrans-64.8-43.1165175.959.8000111G184 F186 S208 D209 C214 N215 L216 N324 S325G184-L212 WeakPolarHBondContact O-CD2 3.48Å; F186-L212 HydrophobicContact CD1-CD2 4.06Å; F186-L212 HydrophobicContact CE1-CB 3.99Å; F186-L212 HydrophobicContact CE1-CD2 3.71Å; F186-L212 HydrophobicContact CE1-CG 3.79Å; F186-L212 HydrophobicContact CZ-CD2 4.32Å; F186-L212 HydrophobicContact CZ-CG 4.27Å; S208-L212 PolarHBondContact O-N 3.28Å; D209-L212 WeakPolarHBondContact O-CB 3.18Å; D209-L212 PolarHBondContact O-N 2.83Å; D209-L212 VanDerWaalsContact O-N 3.13Å; L212-C214 VanDerWaalsContact C-N 3.3Å; L212-C214 PolarHBondContact O-N 3.22Å; L212-N215 WeakPolarHBondContact O-CA 3.37Å; L212-N215 WeakPolarHBondContact O-CB 3.44Å; L212-N215 PolarHBondContact O-N 3.04Å; L212-L216 HydrophobicContact CD1-CD1 4.13Å; L212-L216 HydrophobicContact CD1-CG 4.07Å; L212-L216 HydrophobicContact CG-CD1 3.96Å; L212-L216 HydrophobicContact CG-CG 4.37Å; L212-L216 WeakPolarHBondContact O-CG 3.39Å; L212-L216 PolarHBondContact O-N 3.07Å; L212-N324 HydrophobicContact CD1-CB 4.31Å; L212-N324 HydrophobicContact CD2-CB 4.39Å; L212-S325 WeakPolarHBondContact CD1-OG 3.33Å
213A98.7Very high97Very high0 Ų021 Ų210%010%0.102CC..Hα-helixtrans-59.1-41174.800000111.7L142 Y146 F186 L191 D209 S210 N215 L216 F217 L334L142-A213 HydrophobicContact CD1-CB 4.44Å; Y146-A213 HydrophobicContact CD1-CB 3.8Å; Y146-A213 HydrophobicContact CD2-CB 3.92Å; Y146-A213 HydrophobicContact CE1-CB 4.25Å; Y146-A213 HydrophobicContact CE2-CB 4.4Å; Y146-A213 HydrophobicContact CG-CB 3.61Å; F186-A213 HydrophobicContact CE1-CB 4.31Å; F186-A213 HydrophobicContact CZ-CB 4.24Å; L191-A213 HydrophobicContact CD2-CB 4.2Å; D209-A213 PolarHBondContact O-N 2.77Å; S210-A213 WeakPolarHBondContact O-CB 3.44Å; S210-A213 PolarHBondContact O-N 3.05Å; A213-N215 VanDerWaalsContact C-N 3.33Å; A213-N215 PolarHBondContact O-N 3.32Å; A213-L216 PolarHBondContact O-N 3.05Å; A213-F217 WeakPolarHBondContact O-CB 3.49Å; A213-F217 PolarHBondContact O-N 3.28Å; A213-L334 HydrophobicContact CB-CD2 3.95Å
214C98.7Very high97.3Very high4 Ų423.9 Ų23.93%0.02711%0.11CC..Hα-helixtrans-58.2-41.1171-64.70000113.2N145 V175 S210 K211 L212 S218N145-C214 PolarHBondContact O-SG 3.46Å; N145-C214 VanDerWaalsContact O-SG 3.34Å; V175-C214 HydrophobicContact CG1-CB 3.77Å; S210-C214 PolarHBondContact O-N 3.21Å; S210-C214 PolarHBondContact O-SG 2.65Å; K211-C214 WeakPolarHBondContact O-CB 3.45Å; K211-C214 PolarHBondContact O-N 3.07Å; L212-C214 VanDerWaalsContact C-N 3.3Å; L212-C214 PolarHBondContact O-N 3.22Å; C214-S218 PolarHBondContact O-N 2.96Å; C214-S218 VanDerWaalsContact O-N 3.08Å; C214-S218 PolarHBondContact O-OG 3.04Å
215N98.7Very high97.5Very high0 Ų021.4 Ų21.40%09%0.093CC..Hα-helixtrans-63.6-53178.1-78.411.5000111S177 S181 K211 L212 A213 F217 S218 R219 W321 S325S177-N215 WeakPolarHBondContact CB-OD1 3.26Å; S177-N215 PolarHBondContact OG-OD1 3.31Å; S181-N215 PolarHBondContact OG-ND2 3.19Å; K211-N215 PolarHBondContact O-N 2.92Å; K211-N215 VanDerWaalsContact O-N 3.13Å; K211-N215 PolarHBondContact O-OD1 3.03Å; L212-N215 WeakPolarHBondContact O-CA 3.37Å; L212-N215 WeakPolarHBondContact O-CB 3.44Å; L212-N215 PolarHBondContact O-N 3.04Å; A213-N215 VanDerWaalsContact C-N 3.33Å; A213-N215 PolarHBondContact O-N 3.32Å; N215-F217 VanDerWaalsContact C-N 3.33Å; N215-F217 PolarHBondContact O-N 2.82Å; N215-S218 WeakPolarHBondContact O-CB 3.19Å; N215-S218 PolarHBondContact O-N 3.04Å; N215-S218 VanDerWaalsContact O-N 3.13Å; N215-R219 WeakPolarHBondContact O-CG 3.49Å; N215-R219 PolarHBondContact O-N 3.27Å; N215-R219 VanDerWaalsContact O-N 3.14Å; N215-W321 HydrophobicContact CB-CE3 4.19Å; N215-W321 HydrophobicContact CB-CZ3 3.64Å; N215-S325 PolarHBondContact ND2-OG 2.9Å
216L98.8Very high97.6Very high0 Ų018.5 Ų18.50%08%0.081CC..Hα-helixtrans-61.1-42.7-179.6-66.9170.5000111.5F186 L212 A213 S218 R219 E220 L330 A331 L334F186-L216 HydrophobicContact CE2-CD1 4.28Å; F186-L216 HydrophobicContact CZ-CD1 3.72Å; L212-L216 HydrophobicContact CD1-CD1 4.13Å; L212-L216 HydrophobicContact CD1-CG 4.07Å; L212-L216 HydrophobicContact CG-CD1 3.96Å; L212-L216 HydrophobicContact CG-CG 4.37Å; L212-L216 WeakPolarHBondContact O-CG 3.39Å; L212-L216 PolarHBondContact O-N 3.07Å; A213-L216 PolarHBondContact O-N 3.05Å; L216-S218 VanDerWaalsContact C-N 3.32Å; L216-S218 PolarHBondContact O-N 3.49Å; L216-R219 PolarHBondContact O-N 2.74Å; L216-E220 PolarHBondContact O-N 2.74Å; L216-L330 HydrophobicContact CD1-CD2 3.81Å; L216-L330 HydrophobicContact CD1-CG 3.89Å; L216-A331 HydrophobicContact CB-CB 3.99Å; L216-A331 HydrophobicContact CD2-CB 3.95Å; L216-L334 HydrophobicContact CB-CD2 3.99Å; L216-L334 HydrophobicContact CD1-CD2 4.13Å
217F98.7Very high97.6Very high7 Ų720.3 Ų20.33%0.0319%0.093CC..Hα-helixtrans-55.1-45.5172.1170.8-114.9000113.1Y146 F150 T153 V175 A213 N215 R219 E220 L221 W335Y146-F217 HydrophobicContact CD2-CB 4.27Å; Y146-F217 HydrophobicContact CE2-CB 3.72Å; Y146-F217 HydrophobicContact CE2-CD2 4.33Å; Y146-F217 HydrophobicContact CE2-CG 4.09Å; F150-F217 AromaticContact CD2-CD2 3.46Å; F150-F217 HydrophobicContact CD2-CD2 3.46Å; F150-F217 VanDerWaalsContact CD2-CD2 3.46Å; F150-F217 AromaticContact CD2-CE2 3.54Å; F150-F217 HydrophobicContact CD2-CE2 3.54Å; F150-F217 HydrophobicContact CD2-CG 4.48Å; F150-F217 AromaticContact CE2-CD2 3.93Å; F150-F217 HydrophobicContact CE2-CD2 3.93Å; F150-F217 HydrophobicContact CE2-CE2 4.01Å; F150-F217 HydrophobicContact CG-CD2 4.48Å; F150-F217 HydrophobicContact CG-CE2 4.28Å; T153-F217 HydrophobicContact CG2-CZ 3.9Å; V175-F217 HydrophobicContact CG2-CD1 4.04Å; V175-F217 HydrophobicContact CG2-CE1 3.96Å; A213-F217 WeakPolarHBondContact O-CB 3.49Å; A213-F217 PolarHBondContact O-N 3.28Å; N215-F217 VanDerWaalsContact C-N 3.33Å; N215-F217 PolarHBondContact O-N 2.82Å; F217-R219 VanDerWaalsContact C-N 3.28Å; F217-R219 PolarHBondContact O-N 3.33Å; F217-E220 PolarHBondContact O-N 2.99Å; F217-L221 HydrophobicContact CE1-CD2 4.31Å; F217-L221 HydrophobicContact CZ-CD1 4.48Å; F217-L221 HydrophobicContact CZ-CD2 4.09Å; F217-L221 WeakPolarHBondContact O-CB 3.32Å; F217-L221 PolarHBondContact O-N 3.43Å; F217-W335 HydrophobicContact CD2-CE3 4.04Å; F217-W335 AromaticContact CD2-CZ3 3.8Å; F217-W335 HydrophobicContact CD2-CZ3 3.8Å; F217-W335 HydrophobicContact CE2-CE3 4.22Å; F217-W335 HydrophobicContact CE2-CH2 4.25Å; F217-W335 AromaticContact CE2-CZ3 3.58Å; F217-W335 HydrophobicContact CE2-CZ3 3.58Å
218S98.6Very high97.5Very high3 Ų322.7 Ų22.72%0.02112%0.123CC..Hα-helixtrans-63.4-38.7-179.8-54.10000111.3V175 C214 N215 L216 H222 V235 C237V175-S218 VanDerWaalsContact CB-OG 3.27Å; V175-S218 WeakPolarHBondContact CB-OG 3.3Å; V175-S218 WeakPolarHBondContact CG2-OG 3.42Å; C214-S218 PolarHBondContact O-N 2.96Å; C214-S218 VanDerWaalsContact O-N 3.08Å; C214-S218 PolarHBondContact O-OG 3.04Å; N215-S218 WeakPolarHBondContact O-CB 3.19Å; N215-S218 PolarHBondContact O-N 3.04Å; N215-S218 VanDerWaalsContact O-N 3.13Å; L216-S218 VanDerWaalsContact C-N 3.32Å; L216-S218 PolarHBondContact O-N 3.49Å; S218-H222 WeakPolarHBondContact O-CB 3.31Å; S218-H222 PolarHBondContact O-N 3.19Å; S218-V235 WeakPolarHBondContact O-CG1 3.33Å; S218-C237 PolarHBondContact OG-SG 2.59Å
219R98.3Very high97.3Very high49 Ų4927.5 Ų27.519%0.18516%0.164CC..Hα-helixtrans-67.8-46.8178.4-66.5-177.264.872.82.4111.6N215 L216 F217 H222 Q223 W321 S325 L328N215-R219 WeakPolarHBondContact O-CG 3.49Å; N215-R219 PolarHBondContact O-N 3.27Å; N215-R219 VanDerWaalsContact O-N 3.14Å; L216-R219 PolarHBondContact O-N 2.74Å; F217-R219 VanDerWaalsContact C-N 3.28Å; F217-R219 PolarHBondContact O-N 3.33Å; R219-H222 PolarHBondContact O-N 3.33Å; R219-Q223 PolarHBondContact O-N 3.04Å; R219-W321 HydrophobicContact CG-CD2 4.36Å; R219-W321 HydrophobicContact CG-CE3 4.41Å; R219-W321 HydrophobicContact CG-CH2 3.78Å; R219-W321 HydrophobicContact CG-CZ2 3.74Å; R219-W321 HydrophobicContact CG-CZ3 4.15Å; R219-S325 WeakPolarHBondContact CD-O 3.34Å; R219-S325 PolarHBondContact NE-O 3.43Å; R219-L328 HydrophobicContact CB-CD2 4.29Å
220E98.4Very high97.1Very high6 Ų633.1 Ų33.13%0.02819%0.193CC..Hα-helixtrans-66.6-40178.2-171.367.3-173.100111.8L216 F217 H222 Q223 R224 A331 S332 W335L216-E220 PolarHBondContact O-N 2.74Å; F217-E220 PolarHBondContact O-N 2.99Å; E220-H222 VanDerWaalsContact C-N 3.29Å; E220-H222 PolarHBondContact O-N 3.28Å; E220-Q223 PolarHBondContact O-N 3.02Å; E220-R224 HydrophobicContact CG-CG 4.47Å; E220-R224 WeakPolarHBondContact O-CB 3.43Å; E220-R224 WeakPolarHBondContact O-CG 3.46Å; E220-R224 PolarHBondContact O-N 2.93Å; E220-R224 IonicContact OE1-CZ 3.67Å; E220-R224 IonicContact OE1-NE 3.97Å; E220-R224 PolarHBondContact OE1-NE 2.87Å; E220-R224 IonicContact OE1-NH2 2.62Å; E220-R224 PolarHBondContact OE1-NH2 3.38Å; E220-A331 HydrophobicContact CB-CB 4.23Å; E220-S332 PolarHBondContact OE2-N 2.87Å; E220-W335 HydrophobicContact CB-CE3 3.85Å; E220-W335 HydrophobicContact CG-CB 3.7Å; E220-W335 HydrophobicContact CG-CD2 3.78Å; E220-W335 HydrophobicContact CG-CE3 3.54Å; E220-W335 HydrophobicContact CG-CG 3.87Å; E220-W335 HydrophobicContact CG-CZ3 4.42Å
221L98.3Very high96.9Very high0 Ų035.2 Ų35.20%020%0.202CC..Hα-helixtrans-58.7-43174.4-174.570.9000111.1T153 L157 V173 F217 R224 Y225 V235 W335T153-L221 HydrophobicContact CG2-CD1 4.26Å; T153-L221 HydrophobicContact CG2-CD2 4.23Å; L157-L221 HydrophobicContact CD2-CD1 4.24Å; V173-L221 HydrophobicContact CB-CD2 3.93Å; V173-L221 HydrophobicContact CG1-CD2 3.69Å; V173-L221 HydrophobicContact CG2-CD2 4.31Å; F217-L221 HydrophobicContact CE1-CD2 4.31Å; F217-L221 HydrophobicContact CZ-CD1 4.48Å; F217-L221 HydrophobicContact CZ-CD2 4.09Å; F217-L221 WeakPolarHBondContact O-CB 3.32Å; F217-L221 PolarHBondContact O-N 3.43Å; L221-R224 PolarHBondContact O-N 3.06Å; L221-Y225 HydrophobicContact CD1-CD2 3.79Å; L221-Y225 HydrophobicContact CD1-CE2 4.34Å; L221-Y225 PolarHBondContact O-N 3.01Å; L221-V235 HydrophobicContact CB-CG1 4.48Å; L221-V235 HydrophobicContact CB-CG2 4.23Å; L221-V235 HydrophobicContact CD2-CG1 4Å; L221-V235 HydrophobicContact CD2-CG2 3.77Å; L221-V235 HydrophobicContact CG-CG2 3.76Å; L221-W335 HydrophobicContact CB-CZ3 3.97Å; L221-W335 HydrophobicContact CD1-CH2 3.71Å; L221-W335 HydrophobicContact CD1-CZ3 3.94Å
222H97.5Very high96.8Very high41 Ų4135.5 Ų35.519%0.1921%0.205CC..Iπ-helixtrans-65.7-42.8176.5172.774000112S218 R219 E220 R224 G226 S227 V235 S309 G310S218-H222 WeakPolarHBondContact O-CB 3.31Å; S218-H222 PolarHBondContact O-N 3.19Å; R219-H222 PolarHBondContact O-N 3.33Å; E220-H222 VanDerWaalsContact C-N 3.29Å; E220-H222 PolarHBondContact O-N 3.28Å; H222-R224 VanDerWaalsContact C-N 3.3Å; H222-R224 PolarHBondContact O-N 2.91Å; H222-G226 PolarHBondContact CE1-O 2.83Å; H222-G226 PolarHBondContact ND1-O 3.39Å; H222-G226 CarbonylContact O-C 3.59Å; H222-G226 VanDerWaalsContact O-C 3.31Å; H222-G226 WeakPolarHBondContact O-CA 3.49Å; H222-G226 PolarHBondContact O-N 3.22Å; H222-S227 PolarHBondContact O-N 3.27Å; H222-S227 PolarHBondContact O-OG 3.42Å; H222-V235 HydrophobicContact CB-CB 4.03Å; H222-V235 HydrophobicContact CB-CG2 4.06Å; H222-S309 PolarHBondContact CE1-O 2.78Å; H222-S309 PolarHBondContact ND1-OG 3.2Å; H222-G310 WeakPolarHBondContact ND1-CA 3.3Å; H222-G310 PolarHBondContact ND1-N 3.24Å
223Q96.7Very high96.8Very high106 Ų10635.3 Ų35.350%0.49520%0.204SC..Iπ-helixtrans-61.9-38.8177.1-177171.7-8.700111.9R219 E220R219-Q223 PolarHBondContact O-N 3.04Å; E220-Q223 PolarHBondContact O-N 3.02Å
224R96.6Very high96.7Very high76 Ų7635.9 Ų35.929%0.28721%0.207SC..Iπ-helixtrans-82-37.1-177.2-68.5-177.5-176.5-126.67114.3E220 L221 H222 D336E220-R224 HydrophobicContact CG-CG 4.47Å; E220-R224 WeakPolarHBondContact O-CB 3.43Å; E220-R224 WeakPolarHBondContact O-CG 3.46Å; E220-R224 PolarHBondContact O-N 2.93Å; E220-R224 IonicContact OE1-CZ 3.67Å; E220-R224 IonicContact OE1-NE 3.97Å; E220-R224 PolarHBondContact OE1-NE 2.87Å; E220-R224 IonicContact OE1-NH2 2.62Å; E220-R224 PolarHBondContact OE1-NH2 3.38Å; L221-R224 PolarHBondContact O-N 3.06Å; H222-R224 VanDerWaalsContact C-N 3.3Å; H222-R224 PolarHBondContact O-N 2.91Å; R224-D336 IonicContact CZ-OD1 2.72Å; R224-D336 IonicContact NH1-OD1 2.83Å; R224-D336 IonicContact NH2-OD1 3.96Å; R224-D336 PolarHBondContact NH2-OD1 3.12Å
225Y96.9Very high96.6Very high51 Ų5135.7 Ų35.720%0.221%0.206CC..Iπ-helixtrans-134.7-8.7-169-54.3-79000114.7L157 L221 K231 V232 L233 W335L157-Y225 HydrophobicContact CD1-CD2 4.25Å; L157-Y225 HydrophobicContact CD1-CE1 4.38Å; L157-Y225 HydrophobicContact CD1-CE2 3.65Å; L157-Y225 HydrophobicContact CD2-CD1 4.39Å; L157-Y225 HydrophobicContact CD2-CD2 4.11Å; L157-Y225 HydrophobicContact CD2-CE2 4.32Å; L157-Y225 HydrophobicContact CD2-CG 4.13Å; L221-Y225 HydrophobicContact CD1-CD2 3.79Å; L221-Y225 HydrophobicContact CD1-CE2 4.34Å; L221-Y225 PolarHBondContact O-N 3.01Å; Y225-K231 WeakPolarHBondContact O-CA 3.42Å; Y225-V232 HydrophobicContact CD1-CG2 4.24Å; Y225-V232 PolarHBondContact O-N 2.88Å; Y225-L233 PolarHBondContact O-N 2.82Å; Y225-W335 HydrophobicContact CD2-CH2 4.43Å; Y225-W335 AromaticContact CE2-CH2 3.83Å; Y225-W335 HydrophobicContact CE2-CH2 3.83Å; Y225-W335 AromaticContact CE2-CZ2 3.88Å; Y225-W335 HydrophobicContact CE2-CZ2 3.88Å
226G95.9Very high96.6Very high1 Ų135.8 Ų35.81%0.0121%0.206CC..Iπ-helixtrans-107.5-2.7-173.100000115.6H222 L233 S309H222-G226 PolarHBondContact CE1-O 2.83Å; H222-G226 PolarHBondContact ND1-O 3.39Å; H222-G226 CarbonylContact O-C 3.59Å; H222-G226 VanDerWaalsContact O-C 3.31Å; H222-G226 WeakPolarHBondContact O-CA 3.49Å; H222-G226 PolarHBondContact O-N 3.22Å; G226-L233 WeakPolarHBondContact CA-O 3.38Å; G226-S309 PolarHBondContact O-OG 3.08Å
227S94.8Very high96.6Very high40 Ų4035.9 Ų35.928%0.2821%0.207SC..SBendtrans-149.2166.5-176.4580000111.6H222H222-S227 PolarHBondContact O-N 3.27Å; H222-S227 PolarHBondContact O-OG 3.42Å
228G93.6Very high96.5Very high68 Ų6835.5 Ų35.570%0.70121%0.205SC*.G310 helixtrans65.9-163.4177.700000114.1N230 K231G228-N230 PolarHBondContact O-N 3.35Å; G228-K231 WeakPolarHBondContact O-CB 3.05Å; G228-K231 PolarHBondContact O-N 3.27Å
229A92.9Very high96.3Very high108 Ų10836.1 Ų36.189%0.89321%0.207SC*.G310 helixtrans-65.3-21.8-175.800000113.6K231A229-K231 VanDerWaalsContact C-N 3.34Å
230N91.5Very high95.7Very high124 Ų12434.7 Ų34.766%0.66320%0.204SC*.G310 helixtrans-93.511.3-178.8-63.4-23.6000113.1G228 V232G228-N230 PolarHBondContact O-N 3.35Å; N230-V232 PolarHBondContact O-N 3.01Å
231K95.2Very high94.5Very high44 Ų4434.7 Ų34.719%0.19121%0.206CC..  trans-62.1119.2-179.1-176.1176.9178.6174.10111Y170 Y225 G228 A229 D234 S307Y170-K231 HydrophobicContact CD1-CG 4.28Å; Y170-K231 HydrophobicContact CE1-CD 4.2Å; Y170-K231 HydrophobicContact CE1-CG 3.84Å; Y225-K231 WeakPolarHBondContact O-CA 3.42Å; G228-K231 WeakPolarHBondContact O-CB 3.05Å; G228-K231 PolarHBondContact O-N 3.27Å; A229-K231 VanDerWaalsContact C-N 3.34Å; K231-D234 WeakPolarHBondContact CE-OD1 3.21Å; K231-D234 IonicContact NZ-OD1 2.8Å; K231-D234 PolarHBondContact NZ-OD1 2.91Å; K231-S307 PolarHBondContact NZ-OG 2.81Å
232V95.9Very high93.4Very high14 Ų1436 Ų369%0.08522%0.22CC..  trans-133-2.3177.5-65.60000113R161 Y164 P171 Y225 N230R161-V232 HydrophobicContact CB-CB 4.46Å; R161-V232 HydrophobicContact CB-CG2 4.44Å; R161-V232 HydrophobicContact CG-CB 4.23Å; R161-V232 HydrophobicContact CG-CG1 4.01Å; Y164-V232 HydrophobicContact CD1-CB 4.33Å; Y164-V232 HydrophobicContact CD1-CG1 4.27Å; P171-V232 WeakPolarHBondContact CD-O 3.25Å; Y225-V232 HydrophobicContact CD1-CG2 4.24Å; Y225-V232 PolarHBondContact O-N 2.88Å; N230-V232 PolarHBondContact O-N 3.01Å
233L97.1Very high92.6Very high0 Ų039 Ų390%024%0.235CC..SBendtrans-153.3168.8178.456.981.5000110.6L157 L160 P171 V173 Y225 G226 V235L157-L233 HydrophobicContact CD2-CD2 3.58Å; L160-L233 HydrophobicContact CD1-CD2 4.5Å; P171-L233 CarbonylContact O-C 3.54Å; P171-L233 VanDerWaalsContact O-CA 3.29Å; P171-L233 WeakPolarHBondContact O-CA 3.45Å; P171-L233 VanDerWaalsContact O-CB 3.25Å; P171-L233 WeakPolarHBondContact O-CB 3.29Å; V173-L233 HydrophobicContact CG2-CD2 4.2Å; Y225-L233 PolarHBondContact O-N 2.82Å; G226-L233 WeakPolarHBondContact CA-O 3.38Å; L233-V235 HydrophobicContact CD1-CG2 3.19Å
234D97Very high91.9Very high11 Ų1134.5 Ų34.56%0.05922%0.215CC..EExtended strand (participates in β ladder)trans-107.4142.4164.7-71.2-37.2000110.1P171 R172 V173 K231 Y236 S309P171-D234 PolarHBondContact O-N 2.97Å; R172-D234 CarbonylContact C-O 3.59Å; R172-D234 WeakPolarHBondContact CA-O 3.32Å; R172-D234 HydrophobicContact CG-CB 4.49Å; V173-D234 PolarHBondContact N-O 3.25Å; K231-D234 WeakPolarHBondContact CE-OD1 3.21Å; K231-D234 IonicContact NZ-OD1 2.8Å; K231-D234 PolarHBondContact NZ-OD1 2.91Å; D234-Y236 HydrophobicContact CB-CD2 4.45Å; D234-Y236 HydrophobicContact CB-CE2 3.52Å; D234-Y236 PolarHBondContact OD2-OH 3.33Å; D234-S309 WeakPolarHBondContact CA-OG 3.44Å; D234-S309 WeakPolarHBondContact OD1-CB 3.28Å
235V97.9Very high91.2Very high1 Ų132.8 Ų32.81%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-117.1128.1179.1-173.10000109.9V173 S218 L221 H222 L233 S309 G310V173-V235 WeakPolarHBondContact O-CA 3.49Å; S218-V235 WeakPolarHBondContact O-CG1 3.33Å; L221-V235 HydrophobicContact CB-CG1 4.48Å; L221-V235 HydrophobicContact CB-CG2 4.23Å; L221-V235 HydrophobicContact CD2-CG1 4Å; L221-V235 HydrophobicContact CD2-CG2 3.77Å; L221-V235 HydrophobicContact CG-CG2 3.76Å; H222-V235 HydrophobicContact CB-CB 4.03Å; H222-V235 HydrophobicContact CB-CG2 4.06Å; L233-V235 HydrophobicContact CD1-CG2 3.19Å; V235-S309 PolarHBondContact N-OG 2.91Å; V235-S309 CarbonylContact O-C 3.31Å; V235-S309 WeakPolarHBondContact O-CA 3.42Å; V235-G310 PolarHBondContact O-N 3.17Å
236Y98Very high90.4Very high2 Ų231.4 Ų31.41%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-124.7128.1175.1-55.7-83.1000109.4R172 V173 I174 V175 D234 C285 V291 S307 G308 Y313R172-Y236 HydrophobicContact CB-CD2 4.18Å; R172-Y236 HydrophobicContact CB-CE2 3.97Å; R172-Y236 HydrophobicContact CG-CE2 3.95Å; V173-Y236 PolarHBondContact O-N 3.05Å; I174-Y236 CarbonylContact C-O 3.58Å; I174-Y236 WeakPolarHBondContact CA-O 3.49Å; I174-Y236 HydrophobicContact CG1-CD2 4.31Å; V175-Y236 PolarHBondContact N-O 2.86Å; D234-Y236 HydrophobicContact CB-CD2 4.45Å; D234-Y236 HydrophobicContact CB-CE2 3.52Å; D234-Y236 PolarHBondContact OD2-OH 3.33Å; Y236-C285 HydrophobicContact CD1-CB 4.33Å; Y236-C285 HydrophobicContact CD2-CB 4.32Å; Y236-C285 HydrophobicContact CG-CB 3.92Å; Y236-V291 HydrophobicContact CD1-CG1 4.13Å; Y236-V291 HydrophobicContact CE1-CB 3.97Å; Y236-V291 HydrophobicContact CE1-CG1 3.84Å; Y236-V291 HydrophobicContact CE1-CG2 3.84Å; Y236-S307 WeakPolarHBondContact CE1-O 3.39Å; Y236-S307 PolarHBondContact OH-O 3.09Å; Y236-G308 WeakPolarHBondContact CE1-O 3.31Å; Y236-Y313 HydrophobicContact CD1-CD2 4.28Å; Y236-Y313 AromaticContact CD1-CE2 3.59Å; Y236-Y313 HydrophobicContact CD1-CE2 3.59Å; Y236-Y313 HydrophobicContact CE1-CE2 4.29Å
237C98.3Very high89.6Confident1 Ų135.7 Ų35.71%0.00723%0.231CC..EExtended strand (participates in β ladder)trans-106.7146.4167.6-161.80000108.8V175 S218 M311 L312 Y313 W321V175-C237 WeakPolarHBondContact O-CA 3.24Å; S218-C237 PolarHBondContact OG-SG 2.59Å; C237-M311 PolarHBondContact N-O 2.92Å; C237-L312 HydrophobicContact CB-CD1 3.92Å; C237-L312 CarbonylContact O-C 3.55Å; C237-L312 WeakPolarHBondContact O-CA 3.27Å; C237-Y313 PolarHBondContact O-N 3Å; C237-W321 HydrophobicContact CB-CH2 3.38Å; C237-W321 HydrophobicContact CB-CZ2 4.12Å; C237-W321 HydrophobicContact CB-CZ3 4.08Å
238L97.6Very high88.8Confident0 Ų035.8 Ų35.80%023%0.228CC..EExtended strand (participates in β ladder)trans-148.4155.8-179.763.789.4000115.4I174 V175 V176 S177 T281 I282 Y313I174-L238 HydrophobicContact CG2-CD2 3.51Å; I174-L238 HydrophobicContact CG2-CG 4.42Å; V175-L238 PolarHBondContact O-N 3.13Å; V176-L238 HydrophobicContact CG1-CD1 4.16Å; V176-L238 HydrophobicContact CG2-CD1 4.29Å; S177-L238 CarbonylContact C-O 3.53Å; S177-L238 WeakPolarHBondContact CA-O 3.27Å; S177-L238 PolarHBondContact N-O 3.01Å; L238-T281 HydrophobicContact CB-CG2 3.71Å; L238-T281 HydrophobicContact CD1-CG2 4.48Å; L238-T281 HydrophobicContact CD2-CG2 4.05Å; L238-T281 HydrophobicContact CG-CG2 4.3Å; L238-I282 HydrophobicContact CD1-CG1 3.72Å; L238-I282 HydrophobicContact CD2-CB 4.24Å; L238-I282 HydrophobicContact CD2-CG1 3.72Å; L238-I282 HydrophobicContact CG-CG1 4.34Å; L238-Y313 CarbonylContact C-O 3.59Å; L238-Y313 VanDerWaalsContact CA-O 3.23Å; L238-Y313 WeakPolarHBondContact CA-O 3.42Å
239F94.3Very high87.9Confident15 Ų1535.5 Ų35.57%0.06621%0.207CC..EExtended strand (participates in β ladder)trans-105.1144.1160.6-54.4-23.9000109.2S178 G241 L312 Y313 N314 I319 P322S178-F239 VanDerWaalsContact O-CE1 3.25Å; S178-F239 WeakPolarHBondContact O-CE1 3.43Å; F239-G241 PolarHBondContact O-N 3.41Å; F239-G241 VanDerWaalsContact O-N 3.13Å; F239-L312 HydrophobicContact CD1-CD1 4.15Å; F239-L312 HydrophobicContact CE1-CD1 3.86Å; F239-L312 HydrophobicContact CE1-CD2 4.32Å; F239-L312 HydrophobicContact CE2-CD1 4.49Å; F239-L312 HydrophobicContact CE2-CD2 3.76Å; F239-L312 HydrophobicContact CE2-CG 4.47Å; F239-L312 HydrophobicContact CZ-CD1 4.06Å; F239-L312 HydrophobicContact CZ-CD2 3.66Å; F239-L312 HydrophobicContact CZ-CG 4.39Å; F239-Y313 PolarHBondContact N-O 3.16Å; F239-N314 HydrophobicContact CB-CB 4.44Å; F239-I319 HydrophobicContact CD2-CD1 3.78Å; F239-I319 HydrophobicContact CE2-CD1 3.9Å; F239-P322 HydrophobicContact CZ-CG 4.17Å
240T85Confident87Confident20 Ų2037.2 Ų37.212%0.12319%0.191CC..  trans-72.7-0.617754.80000113.5I50 V176 G242 V244 K273 G278I50-T240 HydrophobicContact CD1-CG2 3.77Å; V176-T240 HydrophobicContact CG1-CG2 4.36Å; T240-G242 VanDerWaalsContact C-N 3.31Å; T240-G242 PolarHBondContact O-N 3.1Å; T240-G242 PolarHBondContact OG1-O 3.48Å; T240-V244 HydrophobicContact CG2-CG2 4.38Å; T240-K273 PolarHBondContact O-NZ 3.13Å; T240-G278 WeakPolarHBondContact CG2-O 3.24Å
241G73.1Confident86.1Confident6 Ų634.2 Ų34.26%0.06218%0.175CC..SBendtrans66.826175.500000116.7R25 F239 K273 N314R25-G241 VanDerWaalsContact O-O 3.11Å; F239-G241 PolarHBondContact O-N 3.41Å; F239-G241 VanDerWaalsContact O-N 3.13Å; G241-K273 VanDerWaalsContact O-CE 3.23Å; G241-K273 WeakPolarHBondContact O-CE 3.37Å; G241-K273 PolarHBondContact O-NZ 3.27Å; G241-N314 WeakPolarHBondContact CA-OD1 3.45Å; G241-N314 PolarHBondContact N-OD1 2.9Å
242G76.1Confident85.1Confident28 Ų2834.2 Ų34.229%0.28918%0.179SC..SBendtrans165.8175.8173.800000110.9T24 T240 V244T24-G242 VanDerWaalsContact O-CA 3.27Å; T24-G242 WeakPolarHBondContact O-CA 3.5Å; T240-G242 VanDerWaalsContact C-N 3.31Å; T240-G242 PolarHBondContact O-N 3.1Å; T240-G242 PolarHBondContact OG1-O 3.48Å; G242-V244 PolarHBondContact O-N 2.76Å
243M80.3Confident84.2Confident103 Ų10334.5 Ų34.551%0.50718%0.179SC..  trans-75.1119.5169.7-72.5179.777.100108.2T24 L272 K273T24-M243 HydrophobicContact CG2-SD 4.33Å; T24-M243 PolarHBondContact O-N 3.44Å; M243-L272 HydrophobicContact CB-CD1 4.49Å; M243-L272 HydrophobicContact CB-CD2 3.62Å; M243-L272 HydrophobicContact CB-CG 4.47Å; M243-L272 HydrophobicContact CE-CD2 4.39Å; M243-L272 CarbonylContact O-C 3.54Å; M243-L272 WeakPolarHBondContact O-CA 2.98Å; M243-L272 WeakPolarHBondContact O-CB 3.49Å; M243-L272 HydrophobicContact SD-CD2 4.28Å; M243-K273 PolarHBondContact O-N 2.75Å
244V81.7Confident83.3Confident12 Ų1239.4 Ų39.47%0.07320%0.204CC..BIsolated β-bridgetrans-98.5130.5-179.9-169.70000109I50 T240 G242 T246 K273 S274I50-V244 HydrophobicContact CD1-CB 4.11Å; I50-V244 HydrophobicContact CD1-CG1 4.24Å; I50-V244 HydrophobicContact CD1-CG2 4.1Å; I50-V244 HydrophobicContact CG1-CB 4.32Å; I50-V244 HydrophobicContact CG1-CG1 3.9Å; I50-V244 HydrophobicContact CG1-CG2 4.42Å; T240-V244 HydrophobicContact CG2-CG2 4.38Å; G242-V244 PolarHBondContact O-N 2.76Å; V244-T246 HydrophobicContact CB-CG2 4.01Å; V244-T246 HydrophobicContact CG1-CG2 3.66Å; V244-T246 PolarHBondContact O-N 3.13Å; V244-K273 CarbonylContact C-O 3.57Å; V244-K273 WeakPolarHBondContact CA-O 3.48Å; V244-K273 HydrophobicContact CG1-CB 4.47Å; V244-K273 HydrophobicContact CG2-CB 4.22Å; V244-S274 WeakPolarHBondContact CG1-O 3.41Å
245N82.4Confident82.5Confident39 Ų3945.5 Ų45.521%0.20923%0.231CC..  trans-68.592175.1-1695.1000109.9M268 Q269 L272 K273 P275N245-M268 VanDerWaalsContact OD1-CE 3.22Å; N245-M268 WeakPolarHBondContact OD1-CE 3.47Å; N245-Q269 WeakPolarHBondContact ND2-CG 3.35Å; N245-L272 HydrophobicContact CB-CB 4.02Å; N245-L272 HydrophobicContact CB-CD1 4.45Å; N245-K273 WeakPolarHBondContact CB-O 2.81Å; N245-K273 PolarHBondContact N-O 3.11Å; N245-P275 WeakPolarHBondContact O-CG 3.41Å
246T80.7Confident81.8Confident22 Ų2250 Ų5014%0.13525%0.248CC..SBendtrans-131.4168.8-179.865.60000110.5I50 V244 L248I50-T246 HydrophobicContact CD1-CG2 4.09Å; I50-T246 HydrophobicContact CG1-CG2 3.95Å; V244-T246 HydrophobicContact CB-CG2 4.01Å; V244-T246 HydrophobicContact CG1-CG2 3.66Å; V244-T246 PolarHBondContact O-N 3.13Å; T246-L248 PolarHBondContact O-N 3.14Å; T246-L248 VanDerWaalsContact O-N 3.12Å; T246-L248 WeakPolarHBondContact OG1-CB 3.44Å; T246-L248 PolarHBondContact OG1-N 2.94Å
247N77.9Confident81.3Confident91 Ų9152.7 Ų52.749%0.48727%0.267SS..G310 helixtrans-71.93.9174.5-70.8-20.7000113.9F249 R250N247-F249 VanDerWaalsContact C-N 3.25Å; N247-F249 PolarHBondContact O-N 3.4Å; N247-R250 HydrophobicContact CB-CB 4.39Å; N247-R250 VanDerWaalsContact O-CB 3.26Å; N247-R250 WeakPolarHBondContact O-CB 3.21Å; N247-R250 VanDerWaalsContact O-CG 3.24Å; N247-R250 WeakPolarHBondContact O-CG 3.37Å; N247-R250 PolarHBondContact O-N 3.28Å; N247-R250 VanDerWaalsContact O-N 3.11Å
248L77.7Confident80.7Confident42 Ų4257.8 Ų57.822%0.2230%0.3CS..G310 helixtrans-57.2-40.9179.4-175.563.4000111.5F125 Y207 T246F125-L248 HydrophobicContact CB-CD1 3.72Å; F125-L248 HydrophobicContact CB-CG 3.83Å; Y207-L248 HydrophobicContact CE2-CD2 4.27Å; T246-L248 PolarHBondContact O-N 3.14Å; T246-L248 VanDerWaalsContact O-N 3.12Å; T246-L248 WeakPolarHBondContact OG1-CB 3.44Å; T246-L248 PolarHBondContact OG1-N 2.94Å
249F75.6Confident80.3Confident63 Ų6365.6 Ų65.628%0.27633%0.334SS..G310 helixtrans-97.415.9179.3-58.9-73.4000113.4F125 N247 N251 T252F125-F249 AromaticContact CD1-CD1 3.5Å; F125-F249 HydrophobicContact CD1-CD1 3.5Å; F125-F249 VanDerWaalsContact CD1-CD1 3.5Å; F125-F249 AromaticContact CD1-CE1 3.6Å; F125-F249 HydrophobicContact CD1-CE1 3.6Å; F125-F249 HydrophobicContact CD2-CE1 4.07Å; F125-F249 AromaticContact CE1-CD1 3.76Å; F125-F249 HydrophobicContact CE1-CD1 3.76Å; F125-F249 AromaticContact CE1-CE1 3.75Å; F125-F249 HydrophobicContact CE1-CE1 3.75Å; F125-F249 HydrophobicContact CE2-CE1 4.2Å; F125-F249 HydrophobicContact CG-CD1 4.07Å; F125-F249 AromaticContact CG-CE1 3.79Å; F125-F249 HydrophobicContact CG-CE1 3.79Å; F125-F249 HydrophobicContact CZ-CD1 4.49Å; F125-F249 HydrophobicContact CZ-CE1 4.06Å; N247-F249 VanDerWaalsContact C-N 3.25Å; N247-F249 PolarHBondContact O-N 3.4Å; F249-N251 PolarHBondContact O-N 3.18Å; F249-T252 HydrophobicContact CB-CG2 4.24Å; F249-T252 HydrophobicContact CD1-CG2 4.32Å; F249-T252 WeakPolarHBondContact O-CB 3.49Å; F249-T252 PolarHBondContact O-N 3.05Å; F249-T252 PolarHBondContact O-OG1 3.44Å
250R73.5Confident79.9Confident144 Ų14467.2 Ų67.254%0.54335%0.346SS..G310 helixtrans-53.8-34.9-172.370.4-177.5-178.6-124.24.3113.8N247 T252N247-R250 HydrophobicContact CB-CB 4.39Å; N247-R250 VanDerWaalsContact O-CB 3.26Å; N247-R250 WeakPolarHBondContact O-CB 3.21Å; N247-R250 VanDerWaalsContact O-CG 3.24Å; N247-R250 WeakPolarHBondContact O-CG 3.37Å; N247-R250 PolarHBondContact O-N 3.28Å; N247-R250 VanDerWaalsContact O-N 3.11Å; R250-T252 VanDerWaalsContact C-N 3.33Å; R250-T252 PolarHBondContact O-N 3.41Å
251N73Confident79.9Confident60 Ų6068 Ų6832%0.32135%0.348SS..G310 helixtrans-78.9-16.5-177.5-68.8-8.8000113K127 F249 L253 I254K127-N251 HydrophobicContact CB-CB 3.83Å; K127-N251 WeakPolarHBondContact CD-O 3.44Å; F249-N251 PolarHBondContact O-N 3.18Å; N251-L253 VanDerWaalsContact C-N 3.3Å; N251-L253 PolarHBondContact O-N 2.92Å; N251-I254 HydrophobicContact CB-CD1 4.3Å
252T74.8Confident80.4Confident45 Ų4577.3 Ų77.328%0.27638%0.381SS..G310 helixtrans-72.1-25.5-18064.80000112.6F125 F249 R250F125-T252 HydrophobicContact CE1-CG2 4.26Å; F249-T252 HydrophobicContact CB-CG2 4.24Å; F249-T252 HydrophobicContact CD1-CG2 4.32Å; F249-T252 WeakPolarHBondContact O-CB 3.49Å; F249-T252 PolarHBondContact O-N 3.05Å; F249-T252 PolarHBondContact O-OG1 3.44Å; R250-T252 VanDerWaalsContact C-N 3.33Å; R250-T252 PolarHBondContact O-N 3.41Å
253L77Confident81Confident19 Ų1982.6 Ų82.610%0.09940%0.396CS..SBendtrans-86.2-16.8-177.4-61-176.2000114.1N251 K255 Y256 Q261 I264 R265 M268N251-L253 VanDerWaalsContact C-N 3.3Å; N251-L253 PolarHBondContact O-N 2.92Å; L253-K255 PolarHBondContact O-N 3.22Å; L253-Y256 HydrophobicContact CD2-CD2 4.44Å; L253-Y256 PolarHBondContact O-N 2.95Å; L253-Q261 HydrophobicContact CB-CG 4.41Å; L253-Q261 WeakPolarHBondContact O-CG 3.49Å; L253-I264 HydrophobicContact CD1-CG2 4.31Å; L253-I264 HydrophobicContact CD2-CB 4.47Å; L253-I264 HydrophobicContact CD2-CD1 4.32Å; L253-I264 HydrophobicContact CD2-CG2 3.65Å; L253-R265 HydrophobicContact CD1-CG 4.14Å; L253-M268 HydrophobicContact CD1-SD 4.1Å
254I77.1Confident81.2Confident103 Ų10379.4 Ų79.453%0.52838%0.381SS..THydrogen-bonded Turntrans-59.8-23.8-174.1-63.6174.8000112.4N251 Y256N251-I254 HydrophobicContact CB-CD1 4.3Å; I254-Y256 PolarHBondContact O-N 3.39Å
255K81Confident81.3Confident140 Ų14085.3 Ų85.361%0.60940%0.402SS*.THydrogen-bonded Turntrans-70.3-14178.167.2-179.9-179.81720114.6L253L253-K255 PolarHBondContact O-N 3.22Å
256Y82.7Confident81.4Confident95 Ų9585.2 Ų85.237%0.37341%0.41SS..SBendtrans-97.6155.2-178.4-62-72.7000111.2L253 I254 T260 Q261 I264L253-Y256 HydrophobicContact CD2-CD2 4.44Å; L253-Y256 PolarHBondContact O-N 2.95Å; I254-Y256 PolarHBondContact O-N 3.39Å; Y256-T260 HydrophobicContact CD1-CG2 3.96Å; Y256-T260 HydrophobicContact CG-CG2 4.07Å; Y256-Q261 PolarHBondContact O-NE2 3.34Å; Y256-I264 HydrophobicContact CD1-CD1 4.49Å; Y256-I264 HydrophobicContact CD2-CD1 3.76Å; Y256-I264 HydrophobicContact CE2-CD1 3.96Å; Y256-I264 HydrophobicContact CG-CD1 4.05Å
257S87.2Confident81.6Confident58 Ų5887.3 Ų87.341%0.40642%0.42SS..  trans-57.5153.7174.680.30000111.6F259 T260 Q261S257-F259 PolarHBondContact O-N 2.93Å; S257-F259 VanDerWaalsContact O-N 3.16Å; S257-T260 PolarHBondContact O-N 3.42Å; S257-T260 WeakPolarHBondContact OG-CB 3.18Å; S257-T260 PolarHBondContact OG-N 3.23Å; S257-T260 VanDerWaalsContact OG-N 3.13Å; S257-T260 PolarHBondContact OG-OG1 2.99Å; S257-Q261 WeakPolarHBondContact O-CG 3.18Å; S257-Q261 PolarHBondContact O-N 3.28Å
258P87.2Confident81.9Confident108 Ų10884.8 Ų84.870%0.70141%0.406SS*.Hα-helixtrans-53.4-37.3178-27.735.2000113.6Q261 R262P258-Q261 PolarHBondContact O-N 3.18Å; P258-R262 PolarHBondContact O-N 3.02Å
259F88.1Confident82.2Confident164 Ų16489.1 Ų89.172%0.71943%0.425SS*.Hα-helixtrans-64.7-50.1175.5179-97.8000111.7S257 Q261 R262 F263S257-F259 PolarHBondContact O-N 2.93Å; S257-F259 VanDerWaalsContact O-N 3.16Å; F259-Q261 VanDerWaalsContact C-N 3.29Å; F259-Q261 PolarHBondContact O-N 2.74Å; F259-R262 WeakPolarHBondContact O-CB 3.39Å; F259-R262 PolarHBondContact O-N 3.45Å; F259-R262 VanDerWaalsContact O-N 3.11Å; F259-F263 PolarHBondContact O-N 2.84Å
260T85.2Confident82.6Confident49 Ų4989.4 Ų89.430%0.30143%0.429SS..Hα-helixtrans-61.7-38.3177-51.60000111.4Y256 S257 R262 F263 I264Y256-T260 HydrophobicContact CD1-CG2 3.96Å; Y256-T260 HydrophobicContact CG-CG2 4.07Å; S257-T260 PolarHBondContact O-N 3.42Å; S257-T260 WeakPolarHBondContact OG-CB 3.18Å; S257-T260 PolarHBondContact OG-N 3.23Å; S257-T260 VanDerWaalsContact OG-N 3.13Å; S257-T260 PolarHBondContact OG-OG1 2.99Å; T260-R262 PolarHBondContact O-N 3.08Å; T260-F263 PolarHBondContact O-N 2.92Å; T260-I264 HydrophobicContact CG2-CD1 3.84Å; T260-I264 HydrophobicContact CG2-CG1 4.36Å; T260-I264 WeakPolarHBondContact O-CB 3.39Å; T260-I264 VanDerWaalsContact O-CG1 3.28Å; T260-I264 WeakPolarHBondContact O-CG1 3.16Å; T260-I264 PolarHBondContact O-N 2.73Å
261Q84.9Confident83.1Confident37 Ų3783.2 Ų83.217%0.17341%0.407CS..Hα-helixtrans-60.7-43.7173.7-70.6-177.240.300111.5L253 Y256 S257 P258 F259 I264 R265L253-Q261 HydrophobicContact CB-CG 4.41Å; L253-Q261 WeakPolarHBondContact O-CG 3.49Å; Y256-Q261 PolarHBondContact O-NE2 3.34Å; S257-Q261 WeakPolarHBondContact O-CG 3.18Å; S257-Q261 PolarHBondContact O-N 3.28Å; P258-Q261 PolarHBondContact O-N 3.18Å; F259-Q261 VanDerWaalsContact C-N 3.29Å; F259-Q261 PolarHBondContact O-N 2.74Å; Q261-I264 PolarHBondContact O-N 3.47Å; Q261-R265 WeakPolarHBondContact O-CB 3.48Å; Q261-R265 VanDerWaalsContact O-CG 3.23Å; Q261-R265 WeakPolarHBondContact O-CG 3.11Å; Q261-R265 PolarHBondContact O-N 3.48Å
262R85.6Confident83.8Confident202 Ų20281.2 Ų81.276%0.76240%0.396SS*.Hα-helixtrans-62.4-44.1177-174.5170.2177102.5-1.1111.4P258 F259 T260 R265 G266P258-R262 PolarHBondContact O-N 3.02Å; F259-R262 WeakPolarHBondContact O-CB 3.39Å; F259-R262 PolarHBondContact O-N 3.45Å; F259-R262 VanDerWaalsContact O-N 3.11Å; T260-R262 PolarHBondContact O-N 3.08Å; R262-R265 PolarHBondContact O-N 2.95Å; R262-G266 PolarHBondContact O-N 3.48Å
263F87Confident84.4Confident138 Ų13879.1 Ų79.161%0.60538%0.383SS*.Hα-helixtrans-60.4-50.8175.7179.5-98.8000112.1F259 T260 R265 G266 L267F259-F263 PolarHBondContact O-N 2.84Å; T260-F263 PolarHBondContact O-N 2.92Å; F263-R265 VanDerWaalsContact C-N 3.31Å; F263-R265 PolarHBondContact O-N 3.08Å; F263-G266 PolarHBondContact O-N 3.06Å; F263-G266 VanDerWaalsContact O-N 3.15Å; F263-L267 PolarHBondContact O-N 3.33Å
264I84.6Confident85.1Confident37 Ų3780.3 Ų80.319%0.1939%0.393CS..Hα-helixtrans-60.3-41.3178.5-67.2167.4000110.9L253 Y256 T260 Q261 G266 L267 M268L253-I264 HydrophobicContact CD1-CG2 4.31Å; L253-I264 HydrophobicContact CD2-CB 4.47Å; L253-I264 HydrophobicContact CD2-CD1 4.32Å; L253-I264 HydrophobicContact CD2-CG2 3.65Å; Y256-I264 HydrophobicContact CD1-CD1 4.49Å; Y256-I264 HydrophobicContact CD2-CD1 3.76Å; Y256-I264 HydrophobicContact CE2-CD1 3.96Å; Y256-I264 HydrophobicContact CG-CD1 4.05Å; T260-I264 HydrophobicContact CG2-CD1 3.84Å; T260-I264 HydrophobicContact CG2-CG1 4.36Å; T260-I264 WeakPolarHBondContact O-CB 3.39Å; T260-I264 VanDerWaalsContact O-CG1 3.28Å; T260-I264 WeakPolarHBondContact O-CG1 3.16Å; T260-I264 PolarHBondContact O-N 2.73Å; Q261-I264 PolarHBondContact O-N 3.47Å; I264-G266 PolarHBondContact O-N 3.33Å; I264-L267 PolarHBondContact O-N 3.48Å; I264-M268 HydrophobicContact CG2-CG 4.2Å; I264-M268 HydrophobicContact CG2-SD 3.88Å; I264-M268 WeakPolarHBondContact O-CB 3.49Å; I264-M268 VanDerWaalsContact O-CG 3.3Å; I264-M268 WeakPolarHBondContact O-CG 3.24Å; I264-M268 PolarHBondContact O-N 2.95Å
265R83.7Confident85.8Confident136 Ų13677.1 Ų77.151%0.51338%0.379SS..Hα-helixtrans-62.4-41.1176.5-75.1177.6-170.1-167.47.2112L253 Q261 R262 F263 M268 Q269L253-R265 HydrophobicContact CD1-CG 4.14Å; Q261-R265 WeakPolarHBondContact O-CB 3.48Å; Q261-R265 VanDerWaalsContact O-CG 3.23Å; Q261-R265 WeakPolarHBondContact O-CG 3.11Å; Q261-R265 PolarHBondContact O-N 3.48Å; R262-R265 PolarHBondContact O-N 2.95Å; F263-R265 VanDerWaalsContact C-N 3.31Å; F263-R265 PolarHBondContact O-N 3.08Å; R265-M268 PolarHBondContact O-N 2.92Å; R265-Q269 WeakPolarHBondContact O-CG 3.08Å; R265-Q269 PolarHBondContact O-N 3.46Å
266G85.5Confident86.4Confident37 Ų3773.1 Ų73.138%0.38136%0.364SS..Hα-helixtrans-61.6-46.417400000112R262 F263 I264 M268 Q269 L270R262-G266 PolarHBondContact O-N 3.48Å; F263-G266 PolarHBondContact O-N 3.06Å; F263-G266 VanDerWaalsContact O-N 3.15Å; I264-G266 PolarHBondContact O-N 3.33Å; G266-M268 PolarHBondContact O-N 2.79Å; G266-Q269 WeakPolarHBondContact O-CB 3.34Å; G266-Q269 PolarHBondContact O-N 3.01Å; G266-L270 PolarHBondContact O-N 2.81Å; G266-L270 VanDerWaalsContact O-N 3.12Å
267L84.5Confident86.9Confident65 Ų6570.6 Ų70.634%0.3436%0.355SS..Hα-helixtrans-62.9-41.9176.1-173.364.8000111.7F263 I264 Q269 L270 L271F263-L267 PolarHBondContact O-N 3.33Å; I264-L267 PolarHBondContact O-N 3.48Å; L267-Q269 VanDerWaalsContact C-N 3.34Å; L267-Q269 PolarHBondContact O-N 2.85Å; L267-L270 CarbonylContact O-C 3.55Å; L267-L270 WeakPolarHBondContact O-CB 3.47Å; L267-L270 PolarHBondContact O-N 2.9Å; L267-L270 VanDerWaalsContact O-N 3.1Å; L267-L271 HydrophobicContact CD1-CD1 3.81Å; L267-L271 HydrophobicContact CD1-CD2 4.47Å; L267-L271 HydrophobicContact CD1-CG 3.93Å; L267-L271 HydrophobicContact CD2-CD1 4.14Å; L267-L271 HydrophobicContact CG-CD1 3.68Å; L267-L271 HydrophobicContact CG-CG 4.07Å; L267-L271 WeakPolarHBondContact O-CB 3.47Å; L267-L271 WeakPolarHBondContact O-CG 3.41Å; L267-L271 PolarHBondContact O-N 2.96Å
268M84.2Confident87.1Confident39 Ų3967.9 Ų67.919%0.19234%0.336CS..Hα-helixtrans-61.8-40175-77174.644.200112.1N245 L253 I264 R265 G266 L270 L271 L272N245-M268 VanDerWaalsContact OD1-CE 3.22Å; N245-M268 WeakPolarHBondContact OD1-CE 3.47Å; L253-M268 HydrophobicContact CD1-SD 4.1Å; I264-M268 HydrophobicContact CG2-CG 4.2Å; I264-M268 HydrophobicContact CG2-SD 3.88Å; I264-M268 WeakPolarHBondContact O-CB 3.49Å; I264-M268 VanDerWaalsContact O-CG 3.3Å; I264-M268 WeakPolarHBondContact O-CG 3.24Å; I264-M268 PolarHBondContact O-N 2.95Å; R265-M268 PolarHBondContact O-N 2.92Å; G266-M268 PolarHBondContact O-N 2.79Å; M268-L270 PolarHBondContact O-N 3.48Å; M268-L271 PolarHBondContact O-N 3Å; M268-L272 HydrophobicContact CB-CD1 4Å; M268-L272 HydrophobicContact CB-CG 4.19Å; M268-L272 HydrophobicContact CE-CD1 3.95Å; M268-L272 HydrophobicContact CG-CD1 3.93Å; M268-L272 HydrophobicContact CG-CG 4.38Å; M268-L272 WeakPolarHBondContact O-CA 3.3Å; M268-L272 WeakPolarHBondContact O-CB 3.28Å; M268-L272 WeakPolarHBondContact O-CG 3.32Å; M268-L272 PolarHBondContact O-N 2.84Å
269Q83.5Confident87.6Confident133 Ų13362.7 Ų62.762%0.62130%0.303SS*.Hα-helixtrans-63.2-29.7174.7-75.8176.2-4.300112.4R25 N245 R265 G266 L267R25-Q269 PolarHBondContact NH2-O 3.45Å; N245-Q269 WeakPolarHBondContact ND2-CG 3.35Å; R265-Q269 WeakPolarHBondContact O-CG 3.08Å; R265-Q269 PolarHBondContact O-N 3.46Å; G266-Q269 WeakPolarHBondContact O-CB 3.34Å; G266-Q269 PolarHBondContact O-N 3.01Å; L267-Q269 VanDerWaalsContact C-N 3.34Å; L267-Q269 PolarHBondContact O-N 2.85Å
270L83.5Confident87.9Confident68 Ų6855.2 Ų55.236%0.35627%0.27SS..Hα-helixtrans-80.6-42.2175.5-172.167.7000112.1I17 R21 R25 G266 L267 M268I17-L270 HydrophobicContact CD1-CD2 4.25Å; I17-L270 HydrophobicContact CG2-CD2 3.52Å; I17-L270 HydrophobicContact CG2-CG 4.11Å; R21-L270 VanDerWaalsContact CD-O 3.31Å; R21-L270 WeakPolarHBondContact CD-O 3.08Å; R21-L270 WeakPolarHBondContact CG-O 3.44Å; R21-L270 PolarHBondContact NH1-O 3.5Å; R25-L270 PolarHBondContact NE-O 3.47Å; R25-L270 PolarHBondContact NH2-O 2.89Å; R25-L270 VanDerWaalsContact NH2-O 3.12Å; G266-L270 PolarHBondContact O-N 2.81Å; G266-L270 VanDerWaalsContact O-N 3.12Å; L267-L270 CarbonylContact O-C 3.55Å; L267-L270 WeakPolarHBondContact O-CB 3.47Å; L267-L270 PolarHBondContact O-N 2.9Å; L267-L270 VanDerWaalsContact O-N 3.1Å; M268-L270 PolarHBondContact O-N 3.48Å
271L84.5Confident88.4Confident14 Ų1453 Ų537%0.07326%0.256CS..Hα-helixtrans-88.1-38.4-172.4-61.6-175.5000113I17 M20 R21 T24 R25 L267 M268I17-L271 HydrophobicContact CG2-CD2 4.23Å; M20-L271 HydrophobicContact CB-CD1 4.03Å; M20-L271 HydrophobicContact CB-CD2 3.67Å; M20-L271 HydrophobicContact CB-CG 4.43Å; M20-L271 HydrophobicContact CE-CD1 4.49Å; R21-L271 HydrophobicContact CG-CD2 3.77Å; T24-L271 PolarHBondContact OG1-O 2.89Å; R25-L271 WeakPolarHBondContact CG-O 3.37Å; R25-L271 PolarHBondContact NE-O 3.36Å; L267-L271 HydrophobicContact CD1-CD1 3.81Å; L267-L271 HydrophobicContact CD1-CD2 4.47Å; L267-L271 HydrophobicContact CD1-CG 3.93Å; L267-L271 HydrophobicContact CD2-CD1 4.14Å; L267-L271 HydrophobicContact CG-CD1 3.68Å; L267-L271 HydrophobicContact CG-CG 4.07Å; L267-L271 WeakPolarHBondContact O-CB 3.47Å; L267-L271 WeakPolarHBondContact O-CG 3.41Å; L267-L271 PolarHBondContact O-N 2.96Å; M268-L271 PolarHBondContact O-N 3Å
272L87.4Confident88.9Confident18 Ų1851.2 Ų51.29%0.09425%0.248CC..SBendtrans-93.7154.2-171.2-52.4-168.7000111.8T24 R25 M243 N245 M268T24-L272 HydrophobicContact CG2-CD2 4.21Å; R25-L272 PolarHBondContact NE-O 2.87Å; R25-L272 PolarHBondContact NH2-O 2.84Å; M243-L272 HydrophobicContact CB-CD1 4.49Å; M243-L272 HydrophobicContact CB-CD2 3.62Å; M243-L272 HydrophobicContact CB-CG 4.47Å; M243-L272 HydrophobicContact CE-CD2 4.39Å; M243-L272 CarbonylContact O-C 3.54Å; M243-L272 WeakPolarHBondContact O-CA 2.98Å; M243-L272 WeakPolarHBondContact O-CB 3.49Å; M243-L272 HydrophobicContact SD-CD2 4.28Å; N245-L272 HydrophobicContact CB-CB 4.02Å; N245-L272 HydrophobicContact CB-CD1 4.45Å; M268-L272 HydrophobicContact CB-CD1 4Å; M268-L272 HydrophobicContact CB-CG 4.19Å; M268-L272 HydrophobicContact CE-CD1 3.95Å; M268-L272 HydrophobicContact CG-CD1 3.93Å; M268-L272 HydrophobicContact CG-CG 4.38Å; M268-L272 WeakPolarHBondContact O-CA 3.3Å; M268-L272 WeakPolarHBondContact O-CB 3.28Å; M268-L272 WeakPolarHBondContact O-CG 3.32Å; M268-L272 PolarHBondContact O-N 2.84Å
273K87.8Confident89.4Confident1 Ų141.6 Ų41.60%0.00421%0.212CC..BIsolated β-bridgetrans-60.1145.8173.2-73.9-168.3178.9-173.10111.2R25 T240 G241 M243 V244 N245 E277 N315R25-K273 HydrophobicContact CB-CG 4.07Å; R25-K273 HydrophobicContact CG-CG 4.22Å; R25-K273 WeakPolarHBondContact O-CE 3.45Å; T240-K273 PolarHBondContact O-NZ 3.13Å; G241-K273 VanDerWaalsContact O-CE 3.23Å; G241-K273 WeakPolarHBondContact O-CE 3.37Å; G241-K273 PolarHBondContact O-NZ 3.27Å; M243-K273 PolarHBondContact O-N 2.75Å; V244-K273 CarbonylContact C-O 3.57Å; V244-K273 WeakPolarHBondContact CA-O 3.48Å; V244-K273 HydrophobicContact CG1-CB 4.47Å; V244-K273 HydrophobicContact CG2-CB 4.22Å; N245-K273 WeakPolarHBondContact CB-O 2.81Å; N245-K273 PolarHBondContact N-O 3.11Å; K273-E277 WeakPolarHBondContact CA-OE2 3.46Å; K273-E277 HydrophobicContact CB-CB 4.06Å; K273-E277 HydrophobicContact CD-CB 4.14Å; K273-E277 HydrophobicContact CG-CB 4.26Å; K273-N315 PolarHBondContact NZ-OD1 2.68Å
274S91.1Very high89.8Confident44 Ų4435 Ų3531%0.30818%0.183SC..PPolyproline II helixtrans-68.5157.5164.872.90000110.8V244 I276 E277 G278V244-S274 WeakPolarHBondContact CG1-O 3.41Å; S274-I276 PolarHBondContact O-N 3.1Å; S274-E277 PolarHBondContact N-OE2 2.79Å; S274-E277 PolarHBondContact O-N 3.16Å; S274-E277 VanDerWaalsContact O-N 3.12Å; S274-E277 VanDerWaalsContact OG-CG 3.28Å; S274-E277 WeakPolarHBondContact OG-CG 3.47Å; S274-E277 PolarHBondContact OG-N 2.89Å; S274-E277 VanDerWaalsContact OG-N 3.13Å; S274-E277 PolarHBondContact OG-OE2 2.79Å; S274-G278 PolarHBondContact O-N 2.97Å
275P92.7Very high90.3Very high37 Ų3733.2 Ų33.224%0.2417%0.174CC..Hα-helixtrans-53.7-36.3171.9-30.738000114.4G49 A53 N245 G278 C279G49-P275 WeakPolarHBondContact O-CB 3.39Å; A53-P275 VanDerWaalsContact CB-C 3.49Å; A53-P275 HydrophobicContact CB-CB 3.82Å; A53-P275 WeakPolarHBondContact CB-O 3.49Å; N245-P275 WeakPolarHBondContact O-CG 3.41Å; P275-G278 PolarHBondContact O-N 2.85Å; P275-C279 PolarHBondContact O-N 3.15Å
276I93.3Very high90.9Very high56 Ų5626.8 Ų26.829%0.28715%0.15SC..Hα-helixtrans-65.6-45.1176.1-65.3-72.2000110.4A53 F56 S274 G278 C279 Q280A53-I276 HydrophobicContact CB-CD1 3.86Å; A53-I276 HydrophobicContact CB-CG1 4.35Å; F56-I276 HydrophobicContact CD1-CD1 3.93Å; F56-I276 HydrophobicContact CE1-CD1 4.44Å; S274-I276 PolarHBondContact O-N 3.1Å; I276-G278 VanDerWaalsContact C-N 3.25Å; I276-G278 PolarHBondContact O-N 2.97Å; I276-C279 PolarHBondContact O-N 3.49Å; I276-C279 PolarHBondContact O-SG 3.47Å; I276-Q280 VanDerWaalsContact O-CG 3.28Å; I276-Q280 WeakPolarHBondContact O-CG 3.29Å; I276-Q280 PolarHBondContact O-NE2 2.77Å
277E92.8Very high91.3Very high42 Ų4225.1 Ų25.120%0.19613%0.132CC..Hα-helixtrans-64.4-32.5174.5-66172.211800111.9R25 T28 K273 S274R25-E277 IonicContact NH1-OE1 3.74Å; R25-E277 IonicContact NH1-OE2 3.79Å; T28-E277 HydrophobicContact CG2-CB 3.65Å; T28-E277 HydrophobicContact CG2-CG 3.85Å; K273-E277 WeakPolarHBondContact CA-OE2 3.46Å; K273-E277 HydrophobicContact CB-CB 4.06Å; K273-E277 HydrophobicContact CD-CB 4.14Å; K273-E277 HydrophobicContact CG-CB 4.26Å; S274-E277 PolarHBondContact N-OE2 2.79Å; S274-E277 PolarHBondContact O-N 3.16Å; S274-E277 VanDerWaalsContact O-N 3.12Å; S274-E277 VanDerWaalsContact OG-CG 3.28Å; S274-E277 WeakPolarHBondContact OG-CG 3.47Å; S274-E277 PolarHBondContact OG-N 2.89Å; S274-E277 VanDerWaalsContact OG-N 3.13Å; S274-E277 PolarHBondContact OG-OE2 2.79Å
278G93.1Very high91.7Very high0 Ų022.2 Ų22.20%012%0.117CC..Hα-helixtrans-76.8-27-179.300000114.8T240 S274 P275 I276T240-G278 WeakPolarHBondContact CG2-O 3.24Å; S274-G278 PolarHBondContact O-N 2.97Å; P275-G278 PolarHBondContact O-N 2.85Å; I276-G278 VanDerWaalsContact C-N 3.25Å; I276-G278 PolarHBondContact O-N 2.97Å
279C95.7Very high91.7Very high0 Ų025.3 Ų25.30%013%0.134CC..Hα-helixtrans-82.5-10.5-179.572.40000113.9I50 A53 T54 P275 I276 T281 I282 V283I50-C279 HydrophobicContact CG2-CB 4.03Å; A53-C279 HydrophobicContact CB-CB 4Å; T54-C279 VanDerWaalsContact OG1-CB 3.31Å; T54-C279 WeakPolarHBondContact OG1-CB 3.37Å; P275-C279 PolarHBondContact O-N 3.15Å; I276-C279 PolarHBondContact O-N 3.49Å; I276-C279 PolarHBondContact O-SG 3.47Å; C279-T281 PolarHBondContact O-N 2.96Å; C279-I282 WeakPolarHBondContact O-CA 3.32Å; C279-I282 VanDerWaalsContact O-CB 3.26Å; C279-I282 WeakPolarHBondContact O-CB 3.41Å; C279-I282 PolarHBondContact O-N 3.29Å; C279-V283 PolarHBondContact O-N 3.37Å
280Q95.4Very high91.7Very high6 Ų624.8 Ų24.83%0.02813%0.132CC..Hα-helixtrans-60.4-41.8-168.4-61.6-59.8-41.500113.6V29 L30 I276 I282 V283 H284V29-Q280 WeakPolarHBondContact O-CB 3.26Å; V29-Q280 WeakPolarHBondContact O-CG 2.93Å; L30-Q280 HydrophobicContact CD2-CG 3.9Å; I276-Q280 VanDerWaalsContact O-CG 3.28Å; I276-Q280 WeakPolarHBondContact O-CG 3.29Å; I276-Q280 PolarHBondContact O-NE2 2.77Å; Q280-I282 PolarHBondContact O-N 2.92Å; Q280-V283 PolarHBondContact O-N 2.95Å; Q280-H284 VanDerWaalsContact O-CB 3.27Å; Q280-H284 WeakPolarHBondContact O-CB 3.46Å; Q280-H284 PolarHBondContact O-N 3.22Å
281T95.2Very high92Very high2 Ų221.6 Ų21.61%0.01212%0.115CC..Hα-helixtrans-62.6-34174.7-45.30000111.8L238 C279 C285 N315 C316L238-T281 HydrophobicContact CB-CG2 3.71Å; L238-T281 HydrophobicContact CD1-CG2 4.48Å; L238-T281 HydrophobicContact CD2-CG2 4.05Å; L238-T281 HydrophobicContact CG-CG2 4.3Å; C279-T281 PolarHBondContact O-N 2.96Å; T281-C285 PolarHBondContact O-N 3.44Å; T281-C285 PolarHBondContact O-SG 2.99Å; T281-N315 PolarHBondContact OG1-N 3.49Å; T281-C316 PolarHBondContact OG1-N 2.62Å
282I96.9Very high92Very high0 Ų021 Ų210%011%0.112CC..Hα-helixtrans-66.9-48.6176.4-58.9169.5000109.7I50 T54 I119 I174 V176 L238 C279 Q280 H284 C285 A286I50-I282 HydrophobicContact CG2-CD1 3.28Å; T54-I282 HydrophobicContact CG2-CB 4.39Å; T54-I282 HydrophobicContact CG2-CG2 3.63Å; I119-I282 HydrophobicContact CD1-CG2 3.74Å; I119-I282 HydrophobicContact CG1-CG2 4.49Å; I119-I282 HydrophobicContact CG2-CG2 3.62Å; I174-I282 HydrophobicContact CG2-CG2 4.4Å; V176-I282 HydrophobicContact CG2-CD1 3.63Å; V176-I282 HydrophobicContact CG2-CG1 3.96Å; L238-I282 HydrophobicContact CD1-CG1 3.72Å; L238-I282 HydrophobicContact CD2-CB 4.24Å; L238-I282 HydrophobicContact CD2-CG1 3.72Å; L238-I282 HydrophobicContact CG-CG1 4.34Å; C279-I282 WeakPolarHBondContact O-CA 3.32Å; C279-I282 VanDerWaalsContact O-CB 3.26Å; C279-I282 WeakPolarHBondContact O-CB 3.41Å; C279-I282 PolarHBondContact O-N 3.29Å; Q280-I282 PolarHBondContact O-N 2.92Å; I282-H284 VanDerWaalsContact C-N 3.31Å; I282-H284 PolarHBondContact O-N 2.95Å; I282-C285 PolarHBondContact O-N 3.42Å; I282-A286 VanDerWaalsContact O-CB 3.27Å; I282-A286 WeakPolarHBondContact O-CB 3.37Å; I282-A286 PolarHBondContact O-N 3.13Å
283V96.2Very high91.8Very high0 Ų024.2 Ų24.20%013%0.128CC..Hα-helixtrans-60.4-44.6178.4177.50000110.1C31 T54 E57 C279 Q280 A286 V287C31-V283 HydrophobicContact CB-CB 4.46Å; C31-V283 HydrophobicContact CB-CG1 4.31Å; T54-V283 HydrophobicContact CG2-CG2 4.47Å; E57-V283 HydrophobicContact CB-CG1 4.43Å; E57-V283 HydrophobicContact CB-CG2 3.64Å; E57-V283 HydrophobicContact CG-CG2 4.25Å; C279-V283 PolarHBondContact O-N 3.37Å; Q280-V283 PolarHBondContact O-N 2.95Å; V283-A286 WeakPolarHBondContact O-CB 3.29Å; V283-A286 PolarHBondContact O-N 3.13Å; V283-A286 VanDerWaalsContact O-N 3.14Å; V283-V287 HydrophobicContact CG1-CG1 4.45Å; V283-V287 HydrophobicContact CG1-CG2 4.33Å; V283-V287 VanDerWaalsContact O-CG2 3.31Å; V283-V287 WeakPolarHBondContact O-CG2 3.48Å; V283-V287 PolarHBondContact O-N 3.38Å
284H95.1Very high91.3Very high0 Ų025.1 Ų25.10%014%0.137CC..Hα-helixtrans-53.5-56.9174.417872.7000112.9C31 Q280 I282 A286 V287 S288 V291 A294 H295 C316C31-H284 HydrophobicContact CB-CB 4.23Å; C31-H284 VanDerWaalsContact SG-CA 3.56Å; Q280-H284 VanDerWaalsContact O-CB 3.27Å; Q280-H284 WeakPolarHBondContact O-CB 3.46Å; Q280-H284 PolarHBondContact O-N 3.22Å; I282-H284 VanDerWaalsContact C-N 3.31Å; I282-H284 PolarHBondContact O-N 2.95Å; H284-A286 PolarHBondContact O-N 3.01Å; H284-V287 PolarHBondContact O-N 3.11Å; H284-S288 WeakPolarHBondContact O-CB 3.47Å; H284-S288 PolarHBondContact O-N 3.06Å; H284-V291 PolarHBondContact CE1-O 3.26Å; H284-V291 PolarHBondContact NE2-O 2.95Å; H284-A294 PolarHBondContact CE1-O 2.71Å; H284-H295 AromaticContact CE1-CD2 3.64Å; H284-H295 AromaticContact ND1-CD2 3.44Å; H284-H295 PolarHBondContact ND1-CD2 2.87Å; H284-H295 AromaticContact ND1-NE2 3.86Å; H284-C316 HydrophobicContact CB-CB 4.03Å; H284-C316 PolarHBondContact CD2-O 3.1Å; H284-C316 PolarHBondContact NE2-O 3.33Å
285C95.3Very high90.9Very high0 Ų025.4 Ų25.40%013%0.133CC..Hα-helixtrans-63.5-27.2177.9-63.90000112.5R172 I174 Y236 T281 I282 V291R172-C285 WeakPolarHBondContact CD-O 3.5Å; R172-C285 PolarHBondContact NH1-O 3.41Å; I174-C285 HydrophobicContact CD1-CB 3.9Å; I174-C285 HydrophobicContact CG1-CB 4.3Å; Y236-C285 HydrophobicContact CD1-CB 4.33Å; Y236-C285 HydrophobicContact CD2-CB 4.32Å; Y236-C285 HydrophobicContact CG-CB 3.92Å; T281-C285 PolarHBondContact O-N 3.44Å; T281-C285 PolarHBondContact O-SG 2.99Å; I282-C285 PolarHBondContact O-N 3.42Å; C285-V291 HydrophobicContact CB-CG1 4.49Å
286A95.9Very high90.1Very high1 Ų125.5 Ų25.51%0.00813%0.131CC..Hα-helixtrans-76-36.7178.900000113.5L58 V117 R172 I174 I282 V283 H284L58-A286 HydrophobicContact CD2-CB 4.3Å; V117-A286 HydrophobicContact CG1-CB 4.08Å; V117-A286 HydrophobicContact CG2-CB 4.39Å; R172-A286 PolarHBondContact NH1-O 2.98Å; I174-A286 HydrophobicContact CD1-CB 3.71Å; I282-A286 VanDerWaalsContact O-CB 3.27Å; I282-A286 WeakPolarHBondContact O-CB 3.37Å; I282-A286 PolarHBondContact O-N 3.13Å; V283-A286 WeakPolarHBondContact O-CB 3.29Å; V283-A286 PolarHBondContact O-N 3.13Å; V283-A286 VanDerWaalsContact O-N 3.14Å; H284-A286 PolarHBondContact O-N 3.01Å
287V94Very high88.9Confident1 Ų130 Ų301%0.00616%0.156CC..Hα-helixtrans-117-25.5-167.5-48.40000114.9C33 L58 W63 V283 H284 D289C33-V287 HydrophobicContact CB-CG2 4.01Å; L58-V287 HydrophobicContact CD2-CG1 3.55Å; W63-V287 HydrophobicContact CZ2-CB 4.5Å; W63-V287 HydrophobicContact CZ2-CG1 3.85Å; V283-V287 HydrophobicContact CG1-CG1 4.45Å; V283-V287 HydrophobicContact CG1-CG2 4.33Å; V283-V287 VanDerWaalsContact O-CG2 3.31Å; V283-V287 WeakPolarHBondContact O-CG2 3.48Å; V283-V287 PolarHBondContact O-N 3.38Å; H284-V287 PolarHBondContact O-N 3.11Å; V287-D289 PolarHBondContact O-N 2.86Å
288S91.2Very high87.5Confident4 Ų433 Ų333%0.02818%0.182CC..  trans-70.4130.1-174.3-171.50000111.1C33 R172 H284 V291 A294C33-S288 PolarHBondContact SG-OG 3.32Å; R172-S288 VanDerWaalsContact CZ-O 3.28Å; R172-S288 PolarHBondContact NH1-O 3.23Å; R172-S288 PolarHBondContact NH2-O 2.99Å; H284-S288 WeakPolarHBondContact O-CB 3.47Å; H284-S288 PolarHBondContact O-N 3.06Å; S288-V291 WeakPolarHBondContact O-CG2 3.28Å; S288-A294 WeakPolarHBondContact OG-CB 3.46Å
289D84.4Confident85.6Confident104 Ų10435.6 Ų35.656%0.55620%0.203SC*.THydrogen-bonded Turntrans-75.4-30.7172.7-66.6-33.3000111.7R172 V287R172-D289 IonicContact NH2-OD1 2.71Å; V287-D289 PolarHBondContact O-N 2.86Å
290E84.9Confident83.1Confident123 Ų12344.3 Ų44.358%0.57524%0.244SC*.THydrogen-bonded Turntrans-110.157.9178-62.5-176.1175.100111.4P292 I293 A294E290-P292 VanDerWaalsContact C-CD 3.44Å; E290-I293 PolarHBondContact O-N 2.83Å; E290-A294 VanDerWaalsContact O-CB 3.26Å; E290-A294 WeakPolarHBondContact O-CB 3.25Å; E290-A294 PolarHBondContact O-N 2.87Å
291V88.6Confident80.5Confident0 Ų048.8 Ų48.80%028%0.276CS..THydrogen-bonded Turntrans-48-45.8-171.8-165.40000114.6Y236 H284 C285 S288 Y313Y236-V291 HydrophobicContact CD1-CG1 4.13Å; Y236-V291 HydrophobicContact CE1-CB 3.97Å; Y236-V291 HydrophobicContact CE1-CG1 3.84Å; Y236-V291 HydrophobicContact CE1-CG2 3.84Å; H284-V291 PolarHBondContact CE1-O 3.26Å; H284-V291 PolarHBondContact NE2-O 2.95Å; C285-V291 HydrophobicContact CB-CG1 4.49Å; S288-V291 WeakPolarHBondContact O-CG2 3.28Å; V291-Y313 HydrophobicContact CB-CE1 4.49Å; V291-Y313 HydrophobicContact CG1-CD1 4.31Å; V291-Y313 HydrophobicContact CG1-CE1 3.56Å; V291-Y313 HydrophobicContact CG1-CE2 4.36Å
292P84.5Confident78.2Confident2 Ų255.6 Ų55.61%0.01331%0.311CS..THydrogen-bonded Turntrans-77.3-26.7-174.825.7-29.9000114.6E290 L303 M311 P318E290-P292 VanDerWaalsContact C-CD 3.44Å; P292-L303 HydrophobicContact CB-CD1 3.67Å; P292-L303 HydrophobicContact CG-CD1 4.36Å; P292-M311 HydrophobicContact CB-SD 4.12Å; P292-P318 HydrophobicContact CB-CG 3.79Å; P292-P318 WeakPolarHBondContact O-CD 3.29Å
293I82.7Confident76Confident85 Ų8559.8 Ų59.844%0.43633%0.333SS..THydrogen-bonded Turntrans-93.5-35.4-174.7-54.6173.8000110.3E290 H295 N296E290-I293 PolarHBondContact O-N 2.83Å; I293-H295 PolarHBondContact O-N 3.46Å; I293-N296 PolarHBondContact O-N 3.25Å
294A77.9Confident73.8Confident21 Ų2166.2 Ų66.217%0.17437%0.372CS..THydrogen-bonded Turntrans-59.6124.7179.600000111H284 S288 E290 N296H284-A294 PolarHBondContact CE1-O 2.71Å; S288-A294 WeakPolarHBondContact OG-CB 3.46Å; E290-A294 VanDerWaalsContact O-CB 3.26Å; E290-A294 WeakPolarHBondContact O-CB 3.25Å; E290-A294 PolarHBondContact O-N 2.87Å; A294-N296 VanDerWaalsContact C-N 3.29Å; A294-N296 PolarHBondContact O-N 3.05Å
295H82.5Confident71.9Confident49 Ų4973.3 Ų73.323%0.22741%0.405CS..THydrogen-bonded Turntrans71.25.1-174.9-47.7-68.8000117.1V29 N32 C33 H284 I293 N297 C316V29-H295 HydrophobicContact CG1-CB 3.87Å; N32-H295 PolarHBondContact OD1-CE1 2.99Å; N32-H295 VanDerWaalsContact OD1-CE1 3.23Å; C33-H295 PolarHBondContact SG-NE2 3.35Å; C33-H295 VanDerWaalsContact SG-NE2 3.43Å; H284-H295 AromaticContact CE1-CD2 3.64Å; H284-H295 AromaticContact ND1-CD2 3.44Å; H284-H295 PolarHBondContact ND1-CD2 2.87Å; H284-H295 AromaticContact ND1-NE2 3.86Å; I293-H295 PolarHBondContact O-N 3.46Å; H295-N297 PolarHBondContact O-N 2.94Å; H295-C316 HydrophobicContact CB-CB 4.28Å
296N76.6Confident70.6Confident39 Ų3979 Ų7921%0.20944%0.44CS..  trans-90.994.5174.1-168-13.5000111.3I293 A294 S298 A299 T317I293-N296 PolarHBondContact O-N 3.25Å; A294-N296 VanDerWaalsContact C-N 3.29Å; A294-N296 PolarHBondContact O-N 3.05Å; N296-S298 PolarHBondContact O-N 3.13Å; N296-S298 VanDerWaalsContact O-N 3.15Å; N296-S298 PolarHBondContact OD1-N 3.37Å; N296-S298 VanDerWaalsContact OD1-N 3.14Å; N296-S298 PolarHBondContact OD1-OG 2.7Å; N296-A299 HydrophobicContact CB-CB 4.15Å; N296-A299 PolarHBondContact OD1-N 2.61Å; N296-T317 HydrophobicContact CB-CG2 4.32Å
297N67.6Low70.1Confident151 Ų15179.9 Ų79.981%0.80745%0.446SS*.THydrogen-bonded Turntrans-68.7-9.7-179.9-66.5-2.5000114.1H295H295-N297 PolarHBondContact O-N 2.94Å
298S63.6Low69.9Low106 Ų10680 Ų8074%0.74145%0.447SS*.THydrogen-bonded Turntrans-107.1-4.8-173.728.40000113.8N296 Q300N296-S298 PolarHBondContact O-N 3.13Å; N296-S298 VanDerWaalsContact O-N 3.15Å; N296-S298 PolarHBondContact OD1-N 3.37Å; N296-S298 VanDerWaalsContact OD1-N 3.14Å; N296-S298 PolarHBondContact OD1-OG 2.7Å; S298-Q300 PolarHBondContact O-N 2.78Å
299A53Low70.1Confident54 Ų5480.4 Ų80.445%0.44645%0.45SS..  trans-84.183.2-176.100000112N296N296-A299 HydrophobicContact CB-CB 4.15Å; N296-A299 PolarHBondContact OD1-N 2.61Å
300Q42.9Very low70.6Confident183 Ų18376.1 Ų76.186%0.85543%0.43SS*.  trans-87.9120.8143.6-120.81663.800106.3S298S298-Q300 PolarHBondContact O-N 2.78Å
301S41.9Very low71.1Confident100 Ų10072.6 Ų72.670%0.69941%0.414SS*.SBendtrans80.9137.1165.982.90000119.2
302I45.8Very low71.5Confident145 Ų14572.6 Ų72.674%0.74441%0.414SS*.  trans114.8-19.4149-57.7160000118.5T304I302-T304 PolarHBondContact O-N 2.95Å; I302-T304 VanDerWaalsContact O-N 3.11Å
303L52.3Low72Confident88 Ų8872.5 Ų72.546%0.46141%0.414SS..  trans-89.488.7177.1-64.2174.9000111.8P292 E305 M311P292-L303 HydrophobicContact CB-CD1 3.67Å; P292-L303 HydrophobicContact CG-CD1 4.36Å; L303-E305 VanDerWaalsContact C-N 3.33Å; L303-M311 HydrophobicContact CD1-CE 3.98Å; L303-M311 HydrophobicContact CD1-SD 4.4Å; L303-M311 HydrophobicContact CD2-CE 4.29Å
304T49.8Very low72.5Confident134 Ų13469.7 Ų69.782%0.82240%0.4SS*.  trans-79.6-9.5176.150.50000113.8I302I302-T304 PolarHBondContact O-N 2.95Å; I302-T304 VanDerWaalsContact O-N 3.11Å
305E54.3Low73.1Confident150 Ų15069.7 Ų69.770%0.70140%0.397SS*.SBendtrans-100107.5172.3-74.7-168.5169.400111L303 S307L303-E305 VanDerWaalsContact C-N 3.33Å; E305-S307 VanDerWaalsContact C-N 3.28Å; E305-S307 PolarHBondContact O-N 3.38Å; E305-S307 VanDerWaalsContact O-N 3.16Å
306T67.6Low73.5Confident120 Ų12067.3 Ų67.374%0.73639%0.386SS*.THydrogen-bonded Turntrans-67.2-15.7-163.746.70000115.7
307S85.4Confident74.2Confident18 Ų1867.2 Ų67.213%0.12639%0.387CS..THydrogen-bonded Turntrans-84.3-34.4-17765.70000114.4K231 Y236 E305 S309K231-S307 PolarHBondContact NZ-OG 2.81Å; Y236-S307 WeakPolarHBondContact CE1-O 3.39Å; Y236-S307 PolarHBondContact OH-O 3.09Å; E305-S307 VanDerWaalsContact C-N 3.28Å; E305-S307 PolarHBondContact O-N 3.38Å; E305-S307 VanDerWaalsContact O-N 3.16Å; S307-S309 PolarHBondContact O-N 3.18Å; S307-S309 WeakPolarHBondContact OG-CB 3.28Å; S307-S309 PolarHBondContact OG-N 2.78Å
308G91.1Very high75.4Confident4 Ų461.2 Ų61.24%0.04136%0.356CS..  trans67.516.2-168.800000115Y236 M311 Y313Y236-G308 WeakPolarHBondContact CE1-O 3.31Å; G308-M311 WeakPolarHBondContact O-CB 3.48Å; G308-M311 WeakPolarHBondContact O-CG 3.43Å; G308-Y313 WeakPolarHBondContact CA-OH 3.49Å; G308-Y313 PolarHBondContact O-OH 2.98Å
309S94.7Very high76.7Confident13 Ų1358.8 Ų58.89%0.09133%0.334CS..THydrogen-bonded Turntrans-57.6144.5169.8-1780000111.2H222 G226 D234 V235 S307 M311H222-S309 PolarHBondContact CE1-O 2.78Å; H222-S309 PolarHBondContact ND1-OG 3.2Å; G226-S309 PolarHBondContact O-OG 3.08Å; D234-S309 WeakPolarHBondContact CA-OG 3.44Å; D234-S309 WeakPolarHBondContact OD1-CB 3.28Å; V235-S309 PolarHBondContact N-OG 2.91Å; V235-S309 CarbonylContact O-C 3.31Å; V235-S309 WeakPolarHBondContact O-CA 3.42Å; S307-S309 PolarHBondContact O-N 3.18Å; S307-S309 WeakPolarHBondContact OG-CB 3.28Å; S307-S309 PolarHBondContact OG-N 2.78Å; S309-M311 VanDerWaalsContact C-N 3.27Å; S309-M311 PolarHBondContact O-N 3.46Å
310G95.7Very high78.7Confident13 Ų1363.4 Ų63.413%0.13435%0.352CS..THydrogen-bonded Turntrans82.6-4.118000000115H222 V235 W321H222-G310 WeakPolarHBondContact ND1-CA 3.3Å; H222-G310 PolarHBondContact ND1-N 3.24Å; V235-G310 PolarHBondContact O-N 3.17Å; G310-W321 PolarHBondContact O-NE1 3.22Å
311M95.8Very high81.3Confident49 Ų4956.1 Ų56.124%0.24132%0.316CS..  trans-89.8158-179.3-54.7-178.98900112.7C237 P292 L303 G308 S309 Y313 P318C237-M311 PolarHBondContact N-O 2.92Å; P292-M311 HydrophobicContact CB-SD 4.12Å; L303-M311 HydrophobicContact CD1-CE 3.98Å; L303-M311 HydrophobicContact CD1-SD 4.4Å; L303-M311 HydrophobicContact CD2-CE 4.29Å; G308-M311 WeakPolarHBondContact O-CB 3.48Å; G308-M311 WeakPolarHBondContact O-CG 3.43Å; S309-M311 VanDerWaalsContact C-N 3.27Å; S309-M311 PolarHBondContact O-N 3.46Å; M311-Y313 HydrophobicContact CB-CD2 4.33Å; M311-Y313 HydrophobicContact CB-CE2 3.57Å; M311-P318 HydrophobicContact CE-CB 3.41Å; M311-P318 VanDerWaalsContact CE-CB 3.41Å; M311-P318 HydrophobicContact CE-CG 3.89Å; M311-P318 HydrophobicContact SD-CB 4.11Å; M311-P318 HydrophobicContact SD-CG 4.15Å
312L96.4Very high83.9Confident0 Ų052.5 Ų52.50%029%0.29CS..EExtended strand (participates in β ladder)trans-97.8132170.2179.165.7000109.4C237 F239 P318 I319 W321C237-L312 HydrophobicContact CB-CD1 3.92Å; C237-L312 CarbonylContact O-C 3.55Å; C237-L312 WeakPolarHBondContact O-CA 3.27Å; F239-L312 HydrophobicContact CD1-CD1 4.15Å; F239-L312 HydrophobicContact CE1-CD1 3.86Å; F239-L312 HydrophobicContact CE1-CD2 4.32Å; F239-L312 HydrophobicContact CE2-CD1 4.49Å; F239-L312 HydrophobicContact CE2-CD2 3.76Å; F239-L312 HydrophobicContact CE2-CG 4.47Å; F239-L312 HydrophobicContact CZ-CD1 4.06Å; F239-L312 HydrophobicContact CZ-CD2 3.66Å; F239-L312 HydrophobicContact CZ-CG 4.39Å; L312-P318 CarbonylContact O-C 3.33Å; L312-P318 WeakPolarHBondContact O-CA 3.41Å; L312-I319 HydrophobicContact CB-CG1 4.27Å; L312-I319 HydrophobicContact CD2-CD1 3.79Å; L312-I319 HydrophobicContact CD2-CG1 3.98Å; L312-I319 HydrophobicContact CG-CD1 3.96Å; L312-I319 HydrophobicContact CG-CG1 3.8Å; L312-I319 WeakPolarHBondContact O-CG1 3.32Å; L312-I319 PolarHBondContact O-N 3.38Å; L312-W321 HydrophobicContact CB-CD2 3.8Å; L312-W321 HydrophobicContact CB-CE3 4.11Å; L312-W321 HydrophobicContact CB-CG 4.29Å; L312-W321 HydrophobicContact CB-CH2 4.27Å; L312-W321 HydrophobicContact CB-CZ2 3.95Å; L312-W321 HydrophobicContact CB-CZ3 4.31Å; L312-W321 HydrophobicContact CD1-CE3 4.45Å; L312-W321 HydrophobicContact CD1-CH2 4.45Å; L312-W321 HydrophobicContact CD1-CZ3 4.17Å; L312-W321 HydrophobicContact CD2-CD2 4.2Å; L312-W321 HydrophobicContact CD2-CE3 3.98Å; L312-W321 HydrophobicContact CG-CE3 4.42Å
313Y95.3Very high86.4Confident0 Ų052.4 Ų52.40%029%0.291CS..EExtended strand (participates in β ladder)trans-114.8148.4-177.3-69.4-99.4000112.5Y236 C237 L238 F239 V291 G308 M311 T317 P318Y236-Y313 HydrophobicContact CD1-CD2 4.28Å; Y236-Y313 AromaticContact CD1-CE2 3.59Å; Y236-Y313 HydrophobicContact CD1-CE2 3.59Å; Y236-Y313 HydrophobicContact CE1-CE2 4.29Å; C237-Y313 PolarHBondContact O-N 3Å; L238-Y313 CarbonylContact C-O 3.59Å; L238-Y313 VanDerWaalsContact CA-O 3.23Å; L238-Y313 WeakPolarHBondContact CA-O 3.42Å; F239-Y313 PolarHBondContact N-O 3.16Å; V291-Y313 HydrophobicContact CB-CE1 4.49Å; V291-Y313 HydrophobicContact CG1-CD1 4.31Å; V291-Y313 HydrophobicContact CG1-CE1 3.56Å; V291-Y313 HydrophobicContact CG1-CE2 4.36Å; G308-Y313 WeakPolarHBondContact CA-OH 3.49Å; G308-Y313 PolarHBondContact O-OH 2.98Å; M311-Y313 HydrophobicContact CB-CD2 4.33Å; M311-Y313 HydrophobicContact CB-CE2 3.57Å; Y313-T317 WeakPolarHBondContact CA-O 3.33Å; Y313-P318 HydrophobicContact CD1-CG 4.22Å; Y313-P318 HydrophobicContact CE1-CB 4.29Å; Y313-P318 HydrophobicContact CE1-CG 3.64Å
314N91.8Very high88.6Confident26 Ų2650.2 Ų50.214%0.13928%0.28CS..EExtended strand (participates in β ladder)trans-149.2126.9174.2-177.511.6000109.2F239 G241 C316 T317 I319F239-N314 HydrophobicContact CB-CB 4.44Å; G241-N314 WeakPolarHBondContact CA-OD1 3.45Å; G241-N314 PolarHBondContact N-OD1 2.9Å; N314-C316 VanDerWaalsContact C-N 3.3Å; N314-C316 PolarHBondContact O-N 3.29Å; N314-T317 PolarHBondContact N-O 3.31Å; N314-T317 PolarHBondContact O-N 3.46Å; N314-T317 VanDerWaalsContact O-N 3.13Å; N314-T317 VanDerWaalsContact O-O 3.13Å; N314-T317 PolarHBondContact O-OG1 3.02Å; N314-I319 HydrophobicContact CB-CD1 3.56Å; N314-I319 HydrophobicContact CB-CG1 3.91Å; N314-I319 HydrophobicContact CB-CG2 3.82Å
315N90.6Very high90.9Very high21 Ų2143.8 Ų43.811%0.11224%0.241CC..THydrogen-bonded Turntrans49.149.8-173.3-66.4-43.7000113K27 V29 K273 T281 T317K27-N315 PolarHBondContact O-ND2 3.32Å; K27-N315 VanDerWaalsContact O-ND2 3.14Å; K27-N315 PolarHBondContact O-OD1 2.89Å; V29-N315 HydrophobicContact CG2-CB 4.45Å; V29-N315 WeakPolarHBondContact CG2-O 3.23Å; K273-N315 PolarHBondContact NZ-OD1 2.68Å; T281-N315 PolarHBondContact OG1-N 3.49Å; N315-T317 PolarHBondContact O-N 2.8Å; N315-T317 VanDerWaalsContact O-N 3.08Å
316C92Very high92.9Very high0 Ų040.9 Ų40.90%023%0.229CC..THydrogen-bonded Turntrans63.13.2-178.6-49.60000116.3V29 T281 H284 H295 N314V29-C316 HydrophobicContact CB-CB 4.25Å; V29-C316 HydrophobicContact CG1-CB 3.98Å; T281-C316 PolarHBondContact OG1-N 2.62Å; H284-C316 HydrophobicContact CB-CB 4.03Å; H284-C316 PolarHBondContact CD2-O 3.1Å; H284-C316 PolarHBondContact NE2-O 3.33Å; H295-C316 HydrophobicContact CB-CB 4.28Å; N314-C316 VanDerWaalsContact C-N 3.3Å; N314-C316 PolarHBondContact O-N 3.29Å
317T90.8Very high94.3Very high37 Ų3738.9 Ų38.923%0.22721%0.214CC..EExtended strand (participates in β ladder)trans-112.9144.8177.154.60000111.3N296 Y313 N314 N315N296-T317 HydrophobicContact CB-CG2 4.32Å; Y313-T317 WeakPolarHBondContact CA-O 3.33Å; N314-T317 PolarHBondContact N-O 3.31Å; N314-T317 PolarHBondContact O-N 3.46Å; N314-T317 VanDerWaalsContact O-N 3.13Å; N314-T317 VanDerWaalsContact O-O 3.13Å; N314-T317 PolarHBondContact O-OG1 3.02Å; N315-T317 PolarHBondContact O-N 2.8Å; N315-T317 VanDerWaalsContact O-N 3.08Å
318P92Very high94.8Very high25 Ų2541.6 Ų41.616%0.16223%0.227CC..EExtended strand (participates in β ladder)trans-59.7145.5169.8-17.528000111.9P292 M311 L312 Y313P292-P318 HydrophobicContact CB-CG 3.79Å; P292-P318 WeakPolarHBondContact O-CD 3.29Å; M311-P318 HydrophobicContact CE-CB 3.41Å; M311-P318 VanDerWaalsContact CE-CB 3.41Å; M311-P318 HydrophobicContact CE-CG 3.89Å; M311-P318 HydrophobicContact SD-CB 4.11Å; M311-P318 HydrophobicContact SD-CG 4.15Å; L312-P318 CarbonylContact O-C 3.33Å; L312-P318 WeakPolarHBondContact O-CA 3.41Å; Y313-P318 HydrophobicContact CD1-CG 4.22Å; Y313-P318 HydrophobicContact CE1-CB 4.29Å; Y313-P318 HydrophobicContact CE1-CG 3.64Å
319I92.6Very high95.2Very high55 Ų5547.3 Ų47.328%0.28225%0.252SS..EExtended strand (participates in β ladder)trans-139163.417558.7158000110.4F239 L312 N314F239-I319 HydrophobicContact CD2-CD1 3.78Å; F239-I319 HydrophobicContact CE2-CD1 3.9Å; L312-I319 HydrophobicContact CB-CG1 4.27Å; L312-I319 HydrophobicContact CD2-CD1 3.79Å; L312-I319 HydrophobicContact CD2-CG1 3.98Å; L312-I319 HydrophobicContact CG-CD1 3.96Å; L312-I319 HydrophobicContact CG-CG1 3.8Å; L312-I319 WeakPolarHBondContact O-CG1 3.32Å; L312-I319 PolarHBondContact O-N 3.38Å; N314-I319 HydrophobicContact CB-CD1 3.56Å; N314-I319 HydrophobicContact CB-CG1 3.91Å; N314-I319 HydrophobicContact CB-CG2 3.82Å
320D94.9Very high95.3Very high151 Ų15147.7 Ų47.781%0.80725%0.253SS*.PPolyproline II helixtrans-67.3145173.4-61.2-40.7000112
321W97.1Very high95.4Very high30 Ų3047.1 Ų47.111%0.11425%0.247CC..PPolyproline II helixtrans-67.9142.1170.9-70.791.3000110.3N215 R219 C237 G310 L312 L326N215-W321 HydrophobicContact CB-CE3 4.19Å; N215-W321 HydrophobicContact CB-CZ3 3.64Å; R219-W321 HydrophobicContact CG-CD2 4.36Å; R219-W321 HydrophobicContact CG-CE3 4.41Å; R219-W321 HydrophobicContact CG-CH2 3.78Å; R219-W321 HydrophobicContact CG-CZ2 3.74Å; R219-W321 HydrophobicContact CG-CZ3 4.15Å; C237-W321 HydrophobicContact CB-CH2 3.38Å; C237-W321 HydrophobicContact CB-CZ2 4.12Å; C237-W321 HydrophobicContact CB-CZ3 4.08Å; G310-W321 PolarHBondContact O-NE1 3.22Å; L312-W321 HydrophobicContact CB-CD2 3.8Å; L312-W321 HydrophobicContact CB-CE3 4.11Å; L312-W321 HydrophobicContact CB-CG 4.29Å; L312-W321 HydrophobicContact CB-CH2 4.27Å; L312-W321 HydrophobicContact CB-CZ2 3.95Å; L312-W321 HydrophobicContact CB-CZ3 4.31Å; L312-W321 HydrophobicContact CD1-CE3 4.45Å; L312-W321 HydrophobicContact CD1-CH2 4.45Å; L312-W321 HydrophobicContact CD1-CZ3 4.17Å; L312-W321 HydrophobicContact CD2-CD2 4.2Å; L312-W321 HydrophobicContact CD2-CE3 3.98Å; L312-W321 HydrophobicContact CG-CE3 4.42Å; W321-L326 HydrophobicContact CB-CD2 3.72Å; W321-L326 HydrophobicContact CB-CG 4.29Å; W321-L326 HydrophobicContact CG-CD2 4.42Å
322P96.7Very high95.6Very high24 Ų2446.6 Ų46.616%0.15625%0.248CC..PPolyproline II helixtrans-59146.8168-20.631.9000111.2K182 F239 N324 S325 L326K182-P322 HydrophobicContact CB-CB 3.94Å; K182-P322 HydrophobicContact CB-CG 4.33Å; F239-P322 HydrophobicContact CZ-CG 4.17Å; P322-N324 VanDerWaalsContact C-N 3.27Å; P322-N324 WeakPolarHBondContact CB-OD1 3.32Å; P322-N324 PolarHBondContact O-N 2.86Å; P322-N324 VanDerWaalsContact O-N 3.15Å; P322-S325 WeakPolarHBondContact O-CA 3.37Å; P322-S325 VanDerWaalsContact O-CB 3.24Å; P322-S325 WeakPolarHBondContact O-CB 3.45Å; P322-S325 PolarHBondContact O-N 3.47Å; P322-L326 PolarHBondContact O-N 3.26Å
323D98Very high95.6Very high142 Ų14250.5 Ų50.576%0.75927%0.267SS*.G310 helixtrans-51.3-43.9-175.2-58.8-26.6000113.5S325 L326D323-S325 PolarHBondContact O-N 2.9Å; D323-S325 VanDerWaalsContact O-N 3.16Å; D323-L326 WeakPolarHBondContact O-CB 3.47Å; D323-L326 PolarHBondContact O-N 2.97Å
324N97.4Very high95.8Very high42 Ų4250.6 Ų50.623%0.22527%0.267CS..G310 helixtrans-64.6-20.1178.768.4-9.9000113.6S181 K182 G184 L212 P322S181-N324 PolarHBondContact O-ND2 2.85Å; K182-N324 PolarHBondContact O-ND2 3.11Å; G184-N324 PolarHBondContact O-ND2 3.41Å; L212-N324 HydrophobicContact CD1-CB 4.31Å; L212-N324 HydrophobicContact CD2-CB 4.39Å; P322-N324 VanDerWaalsContact C-N 3.27Å; P322-N324 WeakPolarHBondContact CB-OD1 3.32Å; P322-N324 PolarHBondContact O-N 2.86Å; P322-N324 VanDerWaalsContact O-N 3.15Å
325S98Very high96.1Very high0 Ų049.9 Ų49.90%026%0.262CS..G310 helixtrans-87.3-9.8176.1-53.10000112.5L212 N215 R219 P322 D323 N327L212-S325 WeakPolarHBondContact CD1-OG 3.33Å; N215-S325 PolarHBondContact ND2-OG 2.9Å; R219-S325 WeakPolarHBondContact CD-O 3.34Å; R219-S325 PolarHBondContact NE-O 3.43Å; P322-S325 WeakPolarHBondContact O-CA 3.37Å; P322-S325 VanDerWaalsContact O-CB 3.24Å; P322-S325 WeakPolarHBondContact O-CB 3.45Å; P322-S325 PolarHBondContact O-N 3.47Å; D323-S325 PolarHBondContact O-N 2.9Å; D323-S325 VanDerWaalsContact O-N 3.16Å; S325-N327 VanDerWaalsContact C-N 3.32Å
326L97.7Very high96.4Very high88 Ų8852.2 Ų52.246%0.46128%0.275SS..  trans-81.1-11.4178.7-65.4175.2000113.3W321 P322 D323 L328W321-L326 HydrophobicContact CB-CD2 3.72Å; W321-L326 HydrophobicContact CB-CG 4.29Å; W321-L326 HydrophobicContact CG-CD2 4.42Å; P322-L326 PolarHBondContact O-N 3.26Å; D323-L326 WeakPolarHBondContact O-CB 3.47Å; D323-L326 PolarHBondContact O-N 2.97Å; L326-L328 PolarHBondContact O-N 2.93Å
327N97Very high96.7Very high78 Ų7856.1 Ų56.142%0.41729%0.29SS..  trans-71.889.2179.2-171.2-18000111.4S325 H329 L330 A331S325-N327 VanDerWaalsContact C-N 3.32Å; N327-H329 VanDerWaalsContact C-N 3.31Å; N327-H329 PolarHBondContact O-N 3.22Å; N327-H329 PolarHBondContact OD1-N 3.39Å; N327-L330 HydrophobicContact CB-CB 4.02Å; N327-L330 VanDerWaalsContact CG-CB 3.5Å; N327-L330 PolarHBondContact O-N 3.06Å; N327-L330 PolarHBondContact OD1-N 3.04Å; N327-A331 PolarHBondContact O-N 2.94Å; N327-A331 VanDerWaalsContact O-N 3.1Å
328L96.3Very high97Very high75 Ų7554.3 Ų54.339%0.39328%0.279SS..Hα-helixtrans-67-29.4179.9-68.7-179000113.3R219 L326 A331 S332R219-L328 HydrophobicContact CB-CD2 4.29Å; L326-L328 PolarHBondContact O-N 2.93Å; L328-A331 WeakPolarHBondContact O-CB 3.12Å; L328-A331 PolarHBondContact O-N 3.36Å; L328-S332 PolarHBondContact O-N 3.47Å
329H97.7Very high97.2Very high124 Ų12453.8 Ų53.857%0.57428%0.276SS*.Hα-helixtrans-64.2-46.1174.4-175.464.4000110.7N327 A331 S332 Q333N327-H329 VanDerWaalsContact C-N 3.31Å; N327-H329 PolarHBondContact O-N 3.22Å; N327-H329 PolarHBondContact OD1-N 3.39Å; H329-A331 VanDerWaalsContact C-N 3.28Å; H329-A331 PolarHBondContact O-N 2.9Å; H329-S332 PolarHBondContact O-N 3.28Å; H329-Q333 VanDerWaalsContact CD2-CD 3.5Å; H329-Q333 PolarHBondContact CD2-OE1 3.31Å; H329-Q333 PolarHBondContact NE2-NE2 3.32Å; H329-Q333 VanDerWaalsContact NE2-NE2 3.14Å; H329-Q333 WeakPolarHBondContact O-CB 3.42Å; H329-Q333 WeakPolarHBondContact O-CG 3.47Å; H329-Q333 PolarHBondContact O-N 3.36Å
330L98Very high97.4Very high21 Ų2156.6 Ų56.611%0.1129%0.291CS..Hα-helixtrans-62.6-35.6174.5-177.561.8000111.9F186 L216 N327 L334F186-L330 HydrophobicContact CE2-CD1 4.17Å; F186-L330 HydrophobicContact CE2-CD2 4.17Å; F186-L330 HydrophobicContact CE2-CG 4.33Å; L216-L330 HydrophobicContact CD1-CD2 3.81Å; L216-L330 HydrophobicContact CD1-CG 3.89Å; N327-L330 HydrophobicContact CB-CB 4.02Å; N327-L330 VanDerWaalsContact CG-CB 3.5Å; N327-L330 PolarHBondContact O-N 3.06Å; N327-L330 PolarHBondContact OD1-N 3.04Å; L330-L334 WeakPolarHBondContact O-CB 3.37Å; L330-L334 PolarHBondContact O-N 2.88Å
331A98.4Very high97.5Very high1 Ų150.3 Ų50.31%0.00826%0.256CS..Hα-helixtrans-62.6-46.917600000112.4L216 E220 N327 L328 H329 L334 W335L216-A331 HydrophobicContact CB-CB 3.99Å; L216-A331 HydrophobicContact CD2-CB 3.95Å; E220-A331 HydrophobicContact CB-CB 4.23Å; N327-A331 PolarHBondContact O-N 2.94Å; N327-A331 VanDerWaalsContact O-N 3.1Å; L328-A331 WeakPolarHBondContact O-CB 3.12Å; L328-A331 PolarHBondContact O-N 3.36Å; H329-A331 VanDerWaalsContact C-N 3.28Å; H329-A331 PolarHBondContact O-N 2.9Å; A331-L334 PolarHBondContact O-N 3.38Å; A331-W335 PolarHBondContact O-N 3.07Å
332S98.2Very high97.4Very high38 Ų3850 Ų5027%0.26626%0.257SS..Hα-helixtrans-64.3-46.6175.3164.90000112E220 L328 H329 L334 W335 D336E220-S332 PolarHBondContact OE2-N 2.87Å; L328-S332 PolarHBondContact O-N 3.47Å; H329-S332 PolarHBondContact O-N 3.28Å; S332-L334 VanDerWaalsContact C-N 3.34Å; S332-L334 PolarHBondContact O-N 2.78Å; S332-W335 WeakPolarHBondContact O-CB 3.38Å; S332-W335 PolarHBondContact O-N 3Å; S332-D336 PolarHBondContact O-N 3.5Å
333Q97.8Very high97.4Very high83 Ų8357.8 Ų57.839%0.38829%0.289SS..Hα-helixtrans-59.2-44.7176.4-74.1-179.5-48.700112.1H329 W335 D336 Y337H329-Q333 VanDerWaalsContact CD2-CD 3.5Å; H329-Q333 PolarHBondContact CD2-OE1 3.31Å; H329-Q333 PolarHBondContact NE2-NE2 3.32Å; H329-Q333 VanDerWaalsContact NE2-NE2 3.14Å; H329-Q333 WeakPolarHBondContact O-CB 3.42Å; H329-Q333 WeakPolarHBondContact O-CG 3.47Å; H329-Q333 PolarHBondContact O-N 3.36Å; Q333-W335 VanDerWaalsContact C-N 3.31Å; Q333-W335 PolarHBondContact O-N 2.99Å; Q333-D336 PolarHBondContact O-N 3.28Å; Q333-Y337 VanDerWaalsContact O-CB 3.3Å; Q333-Y337 WeakPolarHBondContact O-CB 3.3Å; Q333-Y337 PolarHBondContact O-N 2.98Å
334L98.4Very high97Very high1 Ų152.6 Ų52.61%0.00526%0.26CS..Hα-helixtrans-60.7-42.6178.4177.963.4000111.1Y146 F186 T188 L191 F192 A213 L216 L330 A331 S332 T338Y146-L334 HydrophobicContact CE1-CD1 3.95Å; Y146-L334 HydrophobicContact CE1-CD2 4.37Å; Y146-L334 HydrophobicContact CE1-CG 4.24Å; Y146-L334 WeakPolarHBondContact OH-CG 3.01Å; F186-L334 HydrophobicContact CE2-CD1 4.37Å; F186-L334 HydrophobicContact CE2-CD2 4.42Å; F186-L334 HydrophobicContact CZ-CD2 4.08Å; T188-L334 HydrophobicContact CG2-CD1 4.05Å; L191-L334 HydrophobicContact CD2-CD1 3.73Å; F192-L334 HydrophobicContact CE2-CD1 3.79Å; A213-L334 HydrophobicContact CB-CD2 3.95Å; L216-L334 HydrophobicContact CB-CD2 3.99Å; L216-L334 HydrophobicContact CD1-CD2 4.13Å; L330-L334 WeakPolarHBondContact O-CB 3.37Å; L330-L334 PolarHBondContact O-N 2.88Å; A331-L334 PolarHBondContact O-N 3.38Å; S332-L334 VanDerWaalsContact C-N 3.34Å; S332-L334 PolarHBondContact O-N 2.78Å; L334-T338 VanDerWaalsContact O-CB 3.27Å; L334-T338 WeakPolarHBondContact O-CB 3.41Å; L334-T338 PolarHBondContact O-N 3.12Å; L334-T338 PolarHBondContact O-OG1 3.32Å
335W98.2Very high96Very high12 Ų1254.7 Ų54.75%0.04528%0.279CS..Hα-helixtrans-61.6-50.1177.4-180-71000112.2F150 F217 E220 L221 Y225 A331 S332 Q333 Y337 T338 T339F150-W335 HydrophobicContact CE2-CB 4.43Å; F150-W335 AromaticContact CE2-CD2 3.65Å; F150-W335 HydrophobicContact CE2-CD2 3.65Å; F150-W335 AromaticContact CE2-CE3 3.64Å; F150-W335 HydrophobicContact CE2-CE3 3.64Å; F150-W335 HydrophobicContact CE2-CG 4.03Å; F150-W335 HydrophobicContact CE2-CH2 4.5Å; F150-W335 HydrophobicContact CE2-CZ3 4.09Å; F150-W335 AromaticContact CZ-CD2 3.85Å; F150-W335 HydrophobicContact CZ-CD2 3.85Å; F150-W335 AromaticContact CZ-CE2 3.89Å; F150-W335 HydrophobicContact CZ-CE3 4.26Å; F150-W335 HydrophobicContact CZ-CG 4.09Å; F150-W335 HydrophobicContact CZ-CZ2 4.32Å; F217-W335 HydrophobicContact CD2-CE3 4.04Å; F217-W335 AromaticContact CD2-CZ3 3.8Å; F217-W335 HydrophobicContact CD2-CZ3 3.8Å; F217-W335 HydrophobicContact CE2-CE3 4.22Å; F217-W335 HydrophobicContact CE2-CH2 4.25Å; F217-W335 AromaticContact CE2-CZ3 3.58Å; F217-W335 HydrophobicContact CE2-CZ3 3.58Å; E220-W335 HydrophobicContact CB-CE3 3.85Å; E220-W335 HydrophobicContact CG-CB 3.7Å; E220-W335 HydrophobicContact CG-CD2 3.78Å; E220-W335 HydrophobicContact CG-CE3 3.54Å; E220-W335 HydrophobicContact CG-CG 3.87Å; E220-W335 HydrophobicContact CG-CZ3 4.42Å; L221-W335 HydrophobicContact CB-CZ3 3.97Å; L221-W335 HydrophobicContact CD1-CH2 3.71Å; L221-W335 HydrophobicContact CD1-CZ3 3.94Å; Y225-W335 HydrophobicContact CD2-CH2 4.43Å; Y225-W335 AromaticContact CE2-CH2 3.83Å; Y225-W335 HydrophobicContact CE2-CH2 3.83Å; Y225-W335 AromaticContact CE2-CZ2 3.88Å; Y225-W335 HydrophobicContact CE2-CZ2 3.88Å; A331-W335 PolarHBondContact O-N 3.07Å; S332-W335 WeakPolarHBondContact O-CB 3.38Å; S332-W335 PolarHBondContact O-N 3Å; Q333-W335 VanDerWaalsContact C-N 3.31Å; Q333-W335 PolarHBondContact O-N 2.99Å; W335-Y337 PolarHBondContact O-N 3.28Å; W335-T338 PolarHBondContact O-N 3.01Å; W335-T339 WeakPolarHBondContact O-CB 3.47Å; W335-T339 PolarHBondContact O-N 3.31Å; W335-T339 PolarHBondContact O-OG1 3.07Å
336D97.2Very high94Very high69 Ų6959.1 Ų59.137%0.36931%0.305SS..Hα-helixtrans-65.8-42.4-177.1-63.7-20.7000110.6R224 S332 Q333 T338 T339 N340R224-D336 IonicContact CZ-OD1 2.72Å; R224-D336 IonicContact NH1-OD1 2.83Å; R224-D336 IonicContact NH2-OD1 3.96Å; R224-D336 PolarHBondContact NH2-OD1 3.12Å; S332-D336 PolarHBondContact O-N 3.5Å; Q333-D336 PolarHBondContact O-N 3.28Å; D336-T338 PolarHBondContact O-N 2.99Å; D336-T339 WeakPolarHBondContact O-CB 3.4Å; D336-T339 PolarHBondContact O-N 3.43Å; D336-N340 PolarHBondContact O-N 3.43Å; D336-N340 PolarHBondContact O-ND2 2.8Å
337Y97.5Very high91.8Very high82 Ų8260.6 Ų60.632%0.32231%0.314SS..Hα-helixtrans-61.6-44.6174.6-161.3-72.8000111.8T188 E189 F192 Q333 W335 T339 N340 F341T188-Y337 HydrophobicContact CG2-CD1 3.92Å; T188-Y337 HydrophobicContact CG2-CD2 3.61Å; T188-Y337 HydrophobicContact CG2-CE2 4.39Å; T188-Y337 HydrophobicContact CG2-CG 3.34Å; E189-Y337 HydrophobicContact CG-CE2 4.26Å; F192-Y337 HydrophobicContact CB-CD1 4.37Å; F192-Y337 HydrophobicContact CB-CE1 3.63Å; F192-Y337 HydrophobicContact CD1-CD1 4.45Å; F192-Y337 HydrophobicContact CD1-CE1 4.3Å; F192-Y337 AromaticContact CD2-CD1 3.78Å; F192-Y337 HydrophobicContact CD2-CD1 3.78Å; F192-Y337 AromaticContact CD2-CE1 3.91Å; F192-Y337 HydrophobicContact CD2-CE1 3.91Å; F192-Y337 HydrophobicContact CE2-CD1 4.13Å; F192-Y337 AromaticContact CG-CD1 3.95Å; F192-Y337 HydrophobicContact CG-CD1 3.95Å; F192-Y337 AromaticContact CG-CE1 3.69Å; F192-Y337 HydrophobicContact CG-CE1 3.69Å; Q333-Y337 VanDerWaalsContact O-CB 3.3Å; Q333-Y337 WeakPolarHBondContact O-CB 3.3Å; Q333-Y337 PolarHBondContact O-N 2.98Å; W335-Y337 PolarHBondContact O-N 3.28Å; Y337-T339 VanDerWaalsContact C-N 3.31Å; Y337-T339 PolarHBondContact O-N 3.44Å; Y337-N340 PolarHBondContact O-N 2.96Å; Y337-F341 HydrophobicContact CD1-CB 4.47Å; Y337-F341 VanDerWaalsContact O-CB 3.27Å; Y337-F341 WeakPolarHBondContact O-CB 3.25Å; Y337-F341 PolarHBondContact O-N 3.02Å
338T97.9Very high89.1Confident0 Ų063.5 Ų63.50%033%0.329CS..Hα-helixtrans-65.4-37.9179.4-530000111.2Y146 F150 F192 L334 W335 D336 F341 L342Y146-T338 HydrophobicContact CE1-CG2 4.03Å; Y146-T338 WeakPolarHBondContact CE1-OG1 3.45Å; Y146-T338 WeakPolarHBondContact OH-CB 3.24Å; Y146-T338 PolarHBondContact OH-OG1 3.22Å; F150-T338 HydrophobicContact CB-CG2 4.08Å; F150-T338 HydrophobicContact CD1-CG2 3.51Å; F150-T338 HydrophobicContact CD2-CG2 3.92Å; F150-T338 HydrophobicContact CE1-CG2 3.84Å; F150-T338 HydrophobicContact CE2-CG2 4.23Å; F150-T338 HydrophobicContact CG-CG2 3.56Å; F150-T338 HydrophobicContact CZ-CG2 4.2Å; F192-T338 HydrophobicContact CZ-CG2 4.06Å; F192-T338 VanDerWaalsContact CZ-OG1 3.3Å; F192-T338 WeakPolarHBondContact CZ-OG1 3.46Å; L334-T338 VanDerWaalsContact O-CB 3.27Å; L334-T338 WeakPolarHBondContact O-CB 3.41Å; L334-T338 PolarHBondContact O-N 3.12Å; L334-T338 PolarHBondContact O-OG1 3.32Å; W335-T338 PolarHBondContact O-N 3.01Å; D336-T338 PolarHBondContact O-N 2.99Å; T338-F341 PolarHBondContact O-N 3.39Å; T338-L342 HydrophobicContact CG2-CD1 3.87Å; T338-L342 HydrophobicContact CG2-CG 4.47Å; T338-L342 WeakPolarHBondContact O-CB 3.39Å; T338-L342 VanDerWaalsContact O-CG 3.32Å; T338-L342 WeakPolarHBondContact O-CG 3.44Å; T338-L342 PolarHBondContact O-N 3.43Å
339T97.3Very high86Confident14 Ų1467.4 Ų67.49%0.08635%0.351CS..Hα-helixtrans-60.5-47.3174.8-58.80000110.8F150 W335 D336 Y337 L342 K343 L344 V346F150-T339 WeakPolarHBondContact CZ-OG1 3.27Å; W335-T339 WeakPolarHBondContact O-CB 3.47Å; W335-T339 PolarHBondContact O-N 3.31Å; W335-T339 PolarHBondContact O-OG1 3.07Å; D336-T339 WeakPolarHBondContact O-CB 3.4Å; D336-T339 PolarHBondContact O-N 3.43Å; Y337-T339 VanDerWaalsContact C-N 3.31Å; Y337-T339 PolarHBondContact O-N 3.44Å; T339-L342 PolarHBondContact O-N 3.05Å; T339-K343 PolarHBondContact O-N 3.14Å; T339-K343 VanDerWaalsContact O-N 3.12Å; T339-L344 HydrophobicContact CG2-CB 3.8Å; T339-L344 PolarHBondContact O-N 2.93Å; T339-V346 HydrophobicContact CG2-CG2 4.2Å
340N96.3Very high83Confident113 Ų11367.4 Ų67.460%0.60437%0.372SS*.Hα-helixtrans-65.6-45176.9-70.6-27.3000112.2D336 Y337 L342 K343D336-N340 PolarHBondContact O-N 3.43Å; D336-N340 PolarHBondContact O-ND2 2.8Å; Y337-N340 PolarHBondContact O-N 2.96Å; N340-L342 VanDerWaalsContact C-N 3.25Å; N340-L342 PolarHBondContact O-N 2.69Å; N340-K343 PolarHBondContact O-N 2.66Å
341F96.3Very high82.3Confident19 Ų1969.8 Ų69.88%0.08339%0.385CS..Hα-helixtrans-56.9-39.9177.2176.8-93.3000112.2F135 Q136 I138 V147 F192 Y337 T338 K343F135-F341 HydrophobicContact CB-CE1 4.12Å; F135-F341 HydrophobicContact CB-CZ 4.1Å; F135-F341 AromaticContact CD1-CE1 3.96Å; F135-F341 HydrophobicContact CD1-CE1 3.96Å; F135-F341 HydrophobicContact CG-CE1 4.43Å; Q136-F341 HydrophobicContact CB-CE2 3.85Å; Q136-F341 HydrophobicContact CB-CZ 3.97Å; Q136-F341 HydrophobicContact CG-CE2 4.08Å; Q136-F341 HydrophobicContact CG-CZ 4.21Å; Q136-F341 PolarHBondContact NE2-O 2.96Å; I138-F341 HydrophobicContact CD1-CE1 4.3Å; I138-F341 HydrophobicContact CD1-CZ 4.14Å; I138-F341 HydrophobicContact CG2-CE2 4.17Å; I138-F341 HydrophobicContact CG2-CZ 3.98Å; V147-F341 HydrophobicContact CG1-CD1 4.38Å; V147-F341 HydrophobicContact CG1-CE1 4.12Å; F192-F341 HydrophobicContact CD1-CB 4.28Å; F192-F341 AromaticContact CD1-CD1 3.98Å; F192-F341 HydrophobicContact CD1-CD1 3.98Å; F192-F341 AromaticContact CD1-CD2 3.53Å; F192-F341 HydrophobicContact CD1-CD2 3.53Å; F192-F341 HydrophobicContact CD1-CE1 4.16Å; F192-F341 AromaticContact CD1-CE2 3.71Å; F192-F341 HydrophobicContact CD1-CE2 3.71Å; F192-F341 AromaticContact CD1-CG 3.66Å; F192-F341 HydrophobicContact CD1-CG 3.66Å; F192-F341 HydrophobicContact CD1-CZ 4.03Å; F192-F341 HydrophobicContact CE1-CB 4.12Å; F192-F341 AromaticContact CE1-CD1 3.67Å; F192-F341 HydrophobicContact CE1-CD1 3.67Å; F192-F341 HydrophobicContact CE1-CD2 4.06Å; F192-F341 HydrophobicContact CE1-CE1 4.04Å; F192-F341 HydrophobicContact CE1-CE2 4.38Å; F192-F341 AromaticContact CE1-CG 3.68Å; F192-F341 HydrophobicContact CE1-CG 3.68Å; F192-F341 HydrophobicContact CE1-CZ 4.37Å; F192-F341 HydrophobicContact CG-CD2 4.45Å; Y337-F341 HydrophobicContact CD1-CB 4.47Å; Y337-F341 VanDerWaalsContact O-CB 3.27Å; Y337-F341 WeakPolarHBondContact O-CB 3.25Å; Y337-F341 PolarHBondContact O-N 3.02Å; T338-F341 PolarHBondContact O-N 3.39Å; F341-K343 VanDerWaalsContact C-N 3.31Å
342L96.2Very high81.5Confident25 Ų2573.4 Ų73.413%0.13141%0.405CS..THydrogen-bonded Turntrans-83.7-3.7177.6-68.9170.1000113.7F135 V147 F150 Y151 T338 T339 N340 L344F135-L342 HydrophobicContact CD1-CD2 4.12Å; F135-L342 HydrophobicContact CE1-CD2 3.57Å; V147-L342 HydrophobicContact CG1-CD1 4.36Å; V147-L342 HydrophobicContact CG1-CD2 3.79Å; V147-L342 HydrophobicContact CG1-CG 4.31Å; F150-L342 HydrophobicContact CD1-CD1 3.57Å; F150-L342 HydrophobicContact CE1-CD1 4.16Å; Y151-L342 HydrophobicContact CD2-CB 4.35Å; Y151-L342 HydrophobicContact CD2-CD1 3.93Å; Y151-L342 HydrophobicContact CD2-CD2 4.26Å; Y151-L342 HydrophobicContact CD2-CG 4.42Å; Y151-L342 HydrophobicContact CG-CD1 4.27Å; Y151-L342 HydrophobicContact CG-CD2 4.34Å; T338-L342 HydrophobicContact CG2-CD1 3.87Å; T338-L342 HydrophobicContact CG2-CG 4.47Å; T338-L342 WeakPolarHBondContact O-CB 3.39Å; T338-L342 VanDerWaalsContact O-CG 3.32Å; T338-L342 WeakPolarHBondContact O-CG 3.44Å; T338-L342 PolarHBondContact O-N 3.43Å; T339-L342 PolarHBondContact O-N 3.05Å; N340-L342 VanDerWaalsContact C-N 3.25Å; N340-L342 PolarHBondContact O-N 2.69Å; L342-L344 HydrophobicContact CB-CD1 4.08Å; L342-L344 HydrophobicContact CB-CG 3.9Å; L342-L344 HydrophobicContact CD1-CD1 4.03Å; L342-L344 PolarHBondContact O-N 3.27Å
343K94.8Very high80.5Confident187 Ų18775.3 Ų75.381%0.81341%0.413SS*.THydrogen-bonded Turntrans51.238-173.8-54.2179-177.6179.90112T339 N340 F341 S345T339-K343 PolarHBondContact O-N 3.14Å; T339-K343 VanDerWaalsContact O-N 3.12Å; N340-K343 PolarHBondContact O-N 2.66Å; F341-K343 VanDerWaalsContact C-N 3.31Å; K343-S345 PolarHBondContact O-N 3.31Å
344L91.1Very high79.5Confident32 Ų3274.9 Ų74.917%0.16841%0.414CS..  trans-70.5127.6174.9-78.1170.5000108.2F150 Y151 L155 T339 L342 V346F150-L344 HydrophobicContact CD1-CD1 4.27Å; F150-L344 HydrophobicContact CE1-CD1 3.81Å; Y151-L344 HydrophobicContact CD2-CD1 4.19Å; Y151-L344 HydrophobicContact CD2-CD2 3.84Å; Y151-L344 HydrophobicContact CD2-CG 4.18Å; Y151-L344 HydrophobicContact CE2-CD2 3.48Å; Y151-L344 VanDerWaalsContact CE2-CD2 3.48Å; Y151-L344 HydrophobicContact CE2-CG 4.12Å; L155-L344 HydrophobicContact CD2-CD2 4.42Å; T339-L344 HydrophobicContact CG2-CB 3.8Å; T339-L344 PolarHBondContact O-N 2.93Å; L342-L344 HydrophobicContact CB-CD1 4.08Å; L342-L344 HydrophobicContact CB-CG 3.9Å; L342-L344 HydrophobicContact CD1-CD1 4.03Å; L342-L344 PolarHBondContact O-N 3.27Å; L344-V346 PolarHBondContact O-N 2.78Å
345S75.9Confident78.3Confident87 Ų8779.5 Ų79.561%0.60844%0.44SS*.  trans-61.4124.116956.60000107.6K343 N347K343-S345 PolarHBondContact O-N 3.31Å; S345-N347 PolarHBondContact O-N 3.44Å; S345-N347 PolarHBondContact OG-OD1 3.35Å
346V56.5Low77Confident93 Ų9384 Ų8456%0.56447%0.466SS*.  trans-67.888.1167.3-169.40000105.2T339 L344 N348T339-V346 HydrophobicContact CG2-CG2 4.2Å; L344-V346 PolarHBondContact O-N 2.78Å; V346-N348 VanDerWaalsContact CG1-OD1 3.23Å; V346-N348 WeakPolarHBondContact CG1-OD1 3.32Å; V346-N348 PolarHBondContact O-N 3.24Å
347N51.6Low75.6Confident118 Ų11885.1 Ų85.163%0.63147%0.473SS*.  trans-70.484.2173.1-79.8-1.4000106.8S345 N349S345-N347 PolarHBondContact O-N 3.44Å; S345-N347 PolarHBondContact OG-OD1 3.35Å; N347-N349 PolarHBondContact O-N 3.24Å
348N40.5Very low73.9Confident140 Ų14085.3 Ų85.375%0.74949%0.485SS*.  trans-68.61.6169-77.7-23.1000112.4V346V346-N348 VanDerWaalsContact CG1-OD1 3.23Å; V346-N348 WeakPolarHBondContact CG1-OD1 3.32Å; V346-N348 PolarHBondContact O-N 3.24Å
349N29.7Very low71.9Confident157 Ų15792.4 Ų92.484%0.8453%0.525SS*.  trans-101.488.8174.7-66.1-13.5000108.8N347N347-N349 PolarHBondContact O-N 3.24Å
350A36.2Very low69.6Low124 Ų12499.5 Ų99.5100%1.02557%0.565SS**  trans-149.10165.100000109R161R161-A350 VanDerWaalsContact CZ-CB 3.48Å

Retrieved 350 of 350 residues in 255.8 ms (Link to these results)

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