A0A087YQC3_POEFO Loading...

Protein ABHD13

AlphaFold DB (A0A3B3THR6), UniProt , Accession A0A087YQC3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 351 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
1M49Very low60.3Low241 Ų241138.8 Ų138.8100%1.18766%0.662SS**  087.90-78.1-175.1-89.600108.3
2E54.1Low61.7Low187 Ų187136.1 Ų136.187%0.87465%0.648SS**  trans-72.8134174.5-70.9-169.3148.300109.6
3K55.5Low63Low137 Ų137139 Ų13960%0.59665%0.649SS**  trans-74126.2-169.4-60.4-175.9179.4177.70110.5W5 R6K3-W5 VanDerWaalsContact CB-CD1 3.47Å; K3-W5 HydrophobicContact CB-CG 4.34Å; K3-W5 HydrophobicContact CD-CZ2 4.08Å; K3-W5 PolarHBondContact O-N 3.28Å; K3-R6 PolarHBondContact O-N 3.4Å
4P57.5Low64.2Low110 Ų110133.9 Ų133.971%0.71464%0.635SS**THydrogen-bonded Turntrans-63.6-14.6-17121.6-32.1000115.2R6P4-R6 VanDerWaalsContact C-N 3.35Å; P4-R6 PolarHBondContact O-N 3.35Å
5W56Low65.2Low157 Ų157129.9 Ų129.960%0.59562%0.623SS**Hα-helixtrans-72.7-20.6178.258.6-99.9000114.4K3 G9K3-W5 VanDerWaalsContact CB-CD1 3.47Å; K3-W5 HydrophobicContact CB-CG 4.34Å; K3-W5 HydrophobicContact CD-CZ2 4.08Å; K3-W5 PolarHBondContact O-N 3.28Å; W5-G9 PolarHBondContact O-N 3.25Å
6R56.8Low66.1Low182 Ų182128.6 Ų128.669%0.68762%0.62SS**Hα-helixtrans-74.7-34.7177.1-81.9-169.2169.4-163.5-3.1112.9K3 P4 A10K3-R6 PolarHBondContact O-N 3.4Å; P4-R6 VanDerWaalsContact C-N 3.35Å; P4-R6 PolarHBondContact O-N 3.35Å; R6-A10 PolarHBondContact O-N 3.17Å
7L58.4Low66.9Low124 Ų124125.6 Ų125.665%0.64961%0.611SS**Hα-helixtrans-70.2-37.2176.5-74164.8000111.2A10 M11L7-A10 PolarHBondContact O-N 2.68Å; L7-M11 WeakPolarHBondContact O-CG 3.32Å; L7-M11 PolarHBondContact O-N 3.46Å
8W58.6Low67.6Low188 Ų188124.9 Ų124.971%0.71261%0.611SS**Hα-helixtrans-60.2-48.6176.3-167.4-94.2000112.4A10 M11 E12W8-A10 VanDerWaalsContact C-N 3.26Å; W8-A10 PolarHBondContact O-N 2.92Å; W8-M11 PolarHBondContact O-N 3Å; W8-E12 WeakPolarHBondContact O-CB 3.5Å; W8-E12 PolarHBondContact O-N 3.15Å
9G70.9Confident68.4Low20 Ų20123.4 Ų123.421%0.20661%0.609CS.*Hα-helixtrans-70.1-17.8177.200000114.5W5 R13W5-G9 PolarHBondContact O-N 3.25Å; G9-R13 WeakPolarHBondContact O-CG 3.43Å; G9-R13 PolarHBondContact O-N 3.46Å; G9-R13 PolarHBondContact O-NE 3.03Å
10A71.8Confident69Low52 Ų52120.7 Ų120.743%0.4360%0.603SS.*Hα-helixtrans-80.8-42.2171.600000111.2R6 L7 W8 R13 C14R6-A10 PolarHBondContact O-N 3.17Å; L7-A10 PolarHBondContact O-N 2.68Å; W8-A10 VanDerWaalsContact C-N 3.26Å; W8-A10 PolarHBondContact O-N 2.92Å; A10-R13 PolarHBondContact O-N 3.47Å; A10-C14 WeakPolarHBondContact O-CB 3.41Å; A10-C14 PolarHBondContact O-N 2.84Å
11M74.5Confident69.6Low129 Ų129124.7 Ų124.764%0.63561%0.611SS**Hα-helixtrans-62.4-43.8173.7-73.9-175.576.600111.6L7 W8 R13 C14 T15L7-M11 WeakPolarHBondContact O-CG 3.32Å; L7-M11 PolarHBondContact O-N 3.46Å; W8-M11 PolarHBondContact O-N 3Å; M11-R13 PolarHBondContact O-N 2.94Å; M11-C14 WeakPolarHBondContact O-CB 3.35Å; M11-C14 PolarHBondContact O-N 3.36Å; M11-T15 WeakPolarHBondContact O-CG2 3.47Å; M11-T15 PolarHBondContact O-N 3.12Å; M11-T15 PolarHBondContact O-OG1 2.91Å
12E77.9Confident71Confident106 Ų106116.6 Ų116.650%0.49558%0.578SS.*Hα-helixtrans-62.8-40.6177.9-171.8177.1-174.700112.5W8 T15 L16W8-E12 WeakPolarHBondContact O-CB 3.5Å; W8-E12 PolarHBondContact O-N 3.15Å; E12-T15 WeakPolarHBondContact CA-OG1 3.41Å; E12-T15 PolarHBondContact O-OG1 3.18Å; E12-L16 HydrophobicContact CG-CD1 4.18Å; E12-L16 WeakPolarHBondContact O-CB 3.35Å; E12-L16 VanDerWaalsContact O-CG 3.23Å; E12-L16 WeakPolarHBondContact O-CG 3.31Å; E12-L16 PolarHBondContact O-N 3Å
13R77.9Confident72.2Confident174 Ų174115.4 Ų115.466%0.65757%0.566SS**Hα-helixtrans-65.3-41.1173.8-80.7-178.9-80.9-152.9-1.5111.8G9 A10 M11 L16 T17G9-R13 WeakPolarHBondContact O-CG 3.43Å; G9-R13 PolarHBondContact O-N 3.46Å; G9-R13 PolarHBondContact O-NE 3.03Å; A10-R13 PolarHBondContact O-N 3.47Å; M11-R13 PolarHBondContact O-N 2.94Å; R13-L16 PolarHBondContact O-N 3.13Å; R13-T17 PolarHBondContact O-N 3.16Å; R13-T17 PolarHBondContact O-OG1 2.74Å
14C79.4Confident73.4Confident68 Ų68110.1 Ų110.146%0.45955%0.55SS..Hα-helixtrans-64.3-44.9178.1-165.90000111.7A10 M11 T17 L18A10-C14 WeakPolarHBondContact O-CB 3.41Å; A10-C14 PolarHBondContact O-N 2.84Å; M11-C14 WeakPolarHBondContact O-CB 3.35Å; M11-C14 PolarHBondContact O-N 3.36Å; C14-T17 VanDerWaalsContact CA-OG1 3.3Å; C14-T17 WeakPolarHBondContact CA-OG1 3.44Å; C14-T17 PolarHBondContact O-N 3.45Å; C14-T17 PolarHBondContact O-OG1 2.91Å; C14-L18 WeakPolarHBondContact O-CB 3.44Å; C14-L18 WeakPolarHBondContact O-CG 3.49Å; C14-L18 PolarHBondContact O-N 3.49Å
15T79.6Confident74.4Confident74 Ų74107.4 Ų107.445%0.45454%0.537SS..Hα-helixtrans-65-43.1176.954.40000111.6M11 E12 T17 L18 V19M11-T15 WeakPolarHBondContact O-CG2 3.47Å; M11-T15 PolarHBondContact O-N 3.12Å; M11-T15 PolarHBondContact O-OG1 2.91Å; E12-T15 WeakPolarHBondContact CA-OG1 3.41Å; E12-T15 PolarHBondContact O-OG1 3.18Å; T15-T17 VanDerWaalsContact C-N 3.35Å; T15-T17 PolarHBondContact O-N 3.38Å; T15-L18 PolarHBondContact O-N 2.99Å; T15-V19 WeakPolarHBondContact O-CB 3.38Å; T15-V19 VanDerWaalsContact O-CG2 3.27Å; T15-V19 WeakPolarHBondContact O-CG2 3.47Å; T15-V19 PolarHBondContact O-N 3.34Å
16L79.6Confident75.5Confident109 Ų109103.6 Ų103.657%0.57153%0.533SS*.Hα-helixtrans-62.7-39.1175.6-73.2169.6000112.4E12 R13 S20E12-L16 HydrophobicContact CG-CD1 4.18Å; E12-L16 WeakPolarHBondContact O-CB 3.35Å; E12-L16 VanDerWaalsContact O-CG 3.23Å; E12-L16 WeakPolarHBondContact O-CG 3.31Å; E12-L16 PolarHBondContact O-N 3Å; R13-L16 PolarHBondContact O-N 3.13Å; L16-S20 WeakPolarHBondContact O-CB 3.35Å; L16-S20 PolarHBondContact O-N 3.44Å
17T80.1Confident76.8Confident77 Ų77102 Ų10247%0.47253%0.527SS..Hα-helixtrans-67.5-38173.940.70000113.1R13 C14 T15 S20 W21R13-T17 PolarHBondContact O-N 3.16Å; R13-T17 PolarHBondContact O-OG1 2.74Å; C14-T17 VanDerWaalsContact CA-OG1 3.3Å; C14-T17 WeakPolarHBondContact CA-OG1 3.44Å; C14-T17 PolarHBondContact O-N 3.45Å; C14-T17 PolarHBondContact O-OG1 2.91Å; T15-T17 VanDerWaalsContact C-N 3.35Å; T15-T17 PolarHBondContact O-N 3.38Å; T17-S20 PolarHBondContact O-N 2.97Å; T17-S20 PolarHBondContact O-OG 3.2Å; T17-S20 VanDerWaalsContact O-OG 3.07Å; T17-W21 WeakPolarHBondContact O-CB 3.31Å; T17-W21 PolarHBondContact O-N 2.91Å
18L80Confident78Confident114 Ų114101 Ų10160%0.59753%0.526SS*.Hα-helixtrans-67.2-42.3176.2-76.7165.7000111.3C14 T15 W21 S22C14-L18 WeakPolarHBondContact O-CB 3.44Å; C14-L18 WeakPolarHBondContact O-CG 3.49Å; C14-L18 PolarHBondContact O-N 3.49Å; T15-L18 PolarHBondContact O-N 2.99Å; L18-W21 PolarHBondContact O-N 3.32Å; L18-S22 VanDerWaalsContact O-CB 3.31Å; L18-S22 WeakPolarHBondContact O-CB 3.37Å; L18-S22 PolarHBondContact O-N 3.09Å
19V81.6Confident78.9Confident96 Ų9695.4 Ų95.458%0.58252%0.516SS*.Hα-helixtrans-64-42.1175.5171.60000110.8T15 S22 W23T15-V19 WeakPolarHBondContact O-CB 3.38Å; T15-V19 VanDerWaalsContact O-CG2 3.27Å; T15-V19 WeakPolarHBondContact O-CG2 3.47Å; T15-V19 PolarHBondContact O-N 3.34Å; V19-S22 PolarHBondContact O-N 3.41Å; V19-W23 VanDerWaalsContact O-CB 3.23Å; V19-W23 WeakPolarHBondContact O-CB 3.49Å; V19-W23 PolarHBondContact O-N 3.22Å
20S80.1Confident79.4Confident69 Ų6999.3 Ų99.348%0.48353%0.531SS..Hα-helixtrans-68.1-38.5178.780.80000112.6L16 T17 W23 G24L16-S20 WeakPolarHBondContact O-CB 3.35Å; L16-S20 PolarHBondContact O-N 3.44Å; T17-S20 PolarHBondContact O-N 2.97Å; T17-S20 PolarHBondContact O-OG 3.2Å; T17-S20 VanDerWaalsContact O-OG 3.07Å; S20-W23 PolarHBondContact O-N 3.01Å; S20-G24 PolarHBondContact O-N 3.5Å
21W82.4Confident79.9Confident205 Ų205101.8 Ų101.878%0.77754%0.537SS*.Hα-helixtrans-64-47.3172.4-101.968.7000112T17 L18 W23 G24 A25T17-W21 WeakPolarHBondContact O-CB 3.31Å; T17-W21 PolarHBondContact O-N 2.91Å; L18-W21 PolarHBondContact O-N 3.32Å; W21-W23 VanDerWaalsContact C-N 3.3Å; W21-W23 PolarHBondContact O-N 3.03Å; W21-G24 PolarHBondContact O-N 3.37Å; W21-A25 WeakPolarHBondContact O-CB 3.39Å; W21-A25 PolarHBondContact O-N 3.23Å
22S79.1Confident80.1Confident71 Ų7197.9 Ų97.950%0.49753%0.525SS..Hα-helixtrans-60.2-41.8176.5-173.20000111.4L18 V19 A25 C26L18-S22 VanDerWaalsContact O-CB 3.31Å; L18-S22 WeakPolarHBondContact O-CB 3.37Å; L18-S22 PolarHBondContact O-N 3.09Å; V19-S22 PolarHBondContact O-N 3.41Å; S22-A25 PolarHBondContact O-N 3.45Å; S22-C26 WeakPolarHBondContact O-CB 3.28Å; S22-C26 PolarHBondContact O-N 3.1Å; S22-C26 PolarHBondContact O-SG 3.02Å
23W78.1Confident80.1Confident161 Ų16198.4 Ų98.461%0.6153%0.531SS*.Hα-helixtrans-67.9-37.5177.1-174.4-101.8000112.4V19 S20 W21 R27V19-W23 VanDerWaalsContact O-CB 3.23Å; V19-W23 WeakPolarHBondContact O-CB 3.49Å; V19-W23 PolarHBondContact O-N 3.22Å; S20-W23 PolarHBondContact O-N 3.01Å; W21-W23 VanDerWaalsContact C-N 3.3Å; W21-W23 PolarHBondContact O-N 3.03Å; W23-R27 VanDerWaalsContact NE1-NH1 3.13Å; W23-R27 WeakPolarHBondContact O-CG 3.35Å; W23-R27 PolarHBondContact O-N 3.39Å
24G80.9Confident80.1Confident26 Ų2693.8 Ų93.827%0.26852%0.518SS..Hα-helixtrans-61.2-48.217100000112.5S20 W21 R27 V28S20-G24 PolarHBondContact O-N 3.5Å; W21-G24 PolarHBondContact O-N 3.37Å; G24-R27 PolarHBondContact O-N 3.03Å; G24-V28 PolarHBondContact O-N 3.03Å
25A78.5Confident80.2Confident53 Ų5394.9 Ų94.944%0.43852%0.519SS..Hα-helixtrans-61.6-45.9177.800000112.1W21 S22 R27 V28 S29W21-A25 WeakPolarHBondContact O-CB 3.39Å; W21-A25 PolarHBondContact O-N 3.23Å; S22-A25 PolarHBondContact O-N 3.45Å; A25-R27 VanDerWaalsContact C-N 3.28Å; A25-R27 PolarHBondContact O-N 3.47Å; A25-V28 PolarHBondContact O-N 3.37Å; A25-S29 PolarHBondContact O-N 3.39Å; A25-S29 PolarHBondContact O-OG 3.07Å
26C79.8Confident80Confident77 Ų7794.3 Ų94.352%0.5252%0.515SS..Hα-helixtrans-58.1-38.9176.4-73.70000112.6S22 L30S22-C26 WeakPolarHBondContact O-CB 3.28Å; S22-C26 PolarHBondContact O-N 3.1Å; S22-C26 PolarHBondContact O-SG 3.02Å; C26-L30 VanDerWaalsContact O-CB 3.26Å; C26-L30 WeakPolarHBondContact O-CB 3.42Å; C26-L30 PolarHBondContact O-N 2.91Å
27R82.7Confident79.9Confident149 Ų14996.1 Ų96.156%0.56252%0.519SS*.Hα-helixtrans-67.9-40.6178.1-75.8-171.2-72.6-158.53.5112.8W23 G24 A25 L30 L31W23-R27 VanDerWaalsContact NE1-NH1 3.13Å; W23-R27 WeakPolarHBondContact O-CG 3.35Å; W23-R27 PolarHBondContact O-N 3.39Å; G24-R27 PolarHBondContact O-N 3.03Å; A25-R27 VanDerWaalsContact C-N 3.28Å; A25-R27 PolarHBondContact O-N 3.47Å; R27-L30 PolarHBondContact O-N 3.38Å; R27-L31 WeakPolarHBondContact O-CB 3.47Å; R27-L31 PolarHBondContact O-N 2.67Å
28V84.8Confident79.8Confident103 Ų10398.7 Ų98.762%0.62453%0.526SS*.Hα-helixtrans-66.3-44176.2175.40000110.7G24 A25 L31 A32G24-V28 PolarHBondContact O-N 3.03Å; A25-V28 PolarHBondContact O-N 3.37Å; V28-L31 PolarHBondContact O-N 3.5Å; V28-A32 WeakPolarHBondContact O-CB 3.49Å; V28-A32 PolarHBondContact O-N 2.92Å
29S77Confident79.8Confident71 Ų7198.2 Ų98.250%0.49752%0.523SS..Hα-helixtrans-63.7-40.9176.2-620000112.6A25 A32 L33A25-S29 PolarHBondContact O-N 3.39Å; A25-S29 PolarHBondContact O-OG 3.07Å; S29-A32 PolarHBondContact O-N 3.36Å; S29-L33 WeakPolarHBondContact O-CB 3.17Å; S29-L33 PolarHBondContact O-N 3.04Å
30L80.8Confident79.8Confident102 Ų102101.4 Ų101.453%0.53453%0.526SS..Hα-helixtrans-64.6-42.7176.1-176.965.8000111.7C26 R27 L33 I34C26-L30 VanDerWaalsContact O-CB 3.26Å; C26-L30 WeakPolarHBondContact O-CB 3.42Å; C26-L30 PolarHBondContact O-N 2.91Å; R27-L30 PolarHBondContact O-N 3.38Å; L30-L33 WeakPolarHBondContact O-CB 3.41Å; L30-L33 PolarHBondContact O-N 2.68Å; L30-I34 HydrophobicContact CD1-CD1 4.35Å; L30-I34 HydrophobicContact CG-CD1 4.01Å; L30-I34 VanDerWaalsContact O-CG1 3.31Å; L30-I34 WeakPolarHBondContact O-CG1 3.08Å; L30-I34 PolarHBondContact O-N 2.91Å
31L82.7Confident80.1Confident103 Ų10399.2 Ų99.254%0.53951%0.514SS..Hα-helixtrans-63.1-42.5175.8-176.766.1000111.4R27 V28 L33 I34 L35R27-L31 WeakPolarHBondContact O-CB 3.47Å; R27-L31 PolarHBondContact O-N 2.67Å; V28-L31 PolarHBondContact O-N 3.5Å; L31-L33 VanDerWaalsContact C-N 3.33Å; L31-L33 PolarHBondContact O-N 3.42Å; L31-I34 PolarHBondContact O-N 3.34Å; L31-L35 HydrophobicContact CD1-CD1 4.32Å; L31-L35 HydrophobicContact CD1-CG 4.45Å; L31-L35 HydrophobicContact CG-CD1 3.93Å; L31-L35 HydrophobicContact CG-CG 4.48Å; L31-L35 WeakPolarHBondContact O-CB 3.34Å; L31-L35 VanDerWaalsContact O-CG 3.29Å; L31-L35 WeakPolarHBondContact O-CG 3.3Å; L31-L35 PolarHBondContact O-N 2.93Å
32A79.6Confident80.3Confident48 Ų4891.2 Ų91.240%0.39750%0.496SS..Hα-helixtrans-62.1-39.9175.100000112V28 S29 T36V28-A32 WeakPolarHBondContact O-CB 3.49Å; V28-A32 PolarHBondContact O-N 2.92Å; S29-A32 PolarHBondContact O-N 3.36Å; A32-T36 WeakPolarHBondContact O-CB 3.34Å; A32-T36 VanDerWaalsContact O-CG2 3.25Å; A32-T36 WeakPolarHBondContact O-CG2 3.47Å; A32-T36 PolarHBondContact O-N 2.93Å; A32-T36 PolarHBondContact O-OG1 2.86Å
33L77.1Confident80.8Confident116 Ų11694.7 Ų94.761%0.60750%0.502SS*.Hα-helixtrans-63.8-43.6174-93.7156.2000112.6S29 L30 L31 T36 F37S29-L33 WeakPolarHBondContact O-CB 3.17Å; S29-L33 PolarHBondContact O-N 3.04Å; L30-L33 WeakPolarHBondContact O-CB 3.41Å; L30-L33 PolarHBondContact O-N 2.68Å; L31-L33 VanDerWaalsContact C-N 3.33Å; L31-L33 PolarHBondContact O-N 3.42Å; L33-T36 VanDerWaalsContact CA-OG1 3.3Å; L33-T36 WeakPolarHBondContact CA-OG1 3.39Å; L33-T36 PolarHBondContact O-OG1 3.44Å; L33-F37 VanDerWaalsContact O-CB 3.27Å; L33-F37 WeakPolarHBondContact O-CB 3.42Å; L33-F37 PolarHBondContact O-N 2.76Å
34I78.9Confident81.3Confident77 Ų7793.5 Ų93.540%0.39550%0.501SS..Hα-helixtrans-65.6-45.3177.4-70.5167.8000110.6L30 L31 F37 H38L30-I34 HydrophobicContact CD1-CD1 4.35Å; L30-I34 HydrophobicContact CG-CD1 4.01Å; L30-I34 VanDerWaalsContact O-CG1 3.31Å; L30-I34 WeakPolarHBondContact O-CG1 3.08Å; L30-I34 PolarHBondContact O-N 2.91Å; L31-I34 PolarHBondContact O-N 3.34Å; I34-F37 PolarHBondContact O-N 2.93Å; I34-H38 VanDerWaalsContact CG2-CD2 3.5Å; I34-H38 WeakPolarHBondContact CG2-CD2 3.31Å; I34-H38 PolarHBondContact O-CD2 3.19Å; I34-H38 PolarHBondContact O-N 3.46Å
35L80.1Confident81.6Confident91 Ų9197.2 Ų97.248%0.47651%0.514SS..Hα-helixtrans-63.7-44177.5-74.2168.1000111.7L31 H38 L39L31-L35 HydrophobicContact CD1-CD1 4.32Å; L31-L35 HydrophobicContact CD1-CG 4.45Å; L31-L35 HydrophobicContact CG-CD1 3.93Å; L31-L35 HydrophobicContact CG-CG 4.48Å; L31-L35 WeakPolarHBondContact O-CB 3.34Å; L31-L35 VanDerWaalsContact O-CG 3.29Å; L31-L35 WeakPolarHBondContact O-CG 3.3Å; L31-L35 PolarHBondContact O-N 2.93Å; L35-H38 PolarHBondContact O-N 3.43Å; L35-L39 VanDerWaalsContact O-CB 3.25Å; L35-L39 WeakPolarHBondContact O-CB 3.35Å; L35-L39 WeakPolarHBondContact O-CD1 3.42Å; L35-L39 WeakPolarHBondContact O-CG 3.47Å; L35-L39 PolarHBondContact O-N 3.32Å
36T75.6Confident82Confident62 Ų6299 Ų9938%0.3852%0.516SS..Hα-helixtrans-65.4-40.2175.548.90000111.6A32 L33 L39 Y40A32-T36 WeakPolarHBondContact O-CB 3.34Å; A32-T36 VanDerWaalsContact O-CG2 3.25Å; A32-T36 WeakPolarHBondContact O-CG2 3.47Å; A32-T36 PolarHBondContact O-N 2.93Å; A32-T36 PolarHBondContact O-OG1 2.86Å; L33-T36 VanDerWaalsContact CA-OG1 3.3Å; L33-T36 WeakPolarHBondContact CA-OG1 3.39Å; L33-T36 PolarHBondContact O-OG1 3.44Å; T36-L39 PolarHBondContact O-N 2.81Å; T36-Y40 HydrophobicContact CG2-CD2 4.23Å; T36-Y40 HydrophobicContact CG2-CE2 4.09Å; T36-Y40 WeakPolarHBondContact O-CA 3.36Å; T36-Y40 VanDerWaalsContact O-CB 3.26Å; T36-Y40 WeakPolarHBondContact O-CB 3.4Å; T36-Y40 VanDerWaalsContact O-CD2 3.28Å; T36-Y40 WeakPolarHBondContact O-CD2 3.47Å; T36-Y40 PolarHBondContact O-N 3.32Å
37F78Confident82.6Confident148 Ų14898 Ų9865%0.64951%0.513SS*.Hα-helixtrans-63.6-42.7173.9179-98.3000112.5L33 I34 G41L33-F37 VanDerWaalsContact O-CB 3.27Å; L33-F37 WeakPolarHBondContact O-CB 3.42Å; L33-F37 PolarHBondContact O-N 2.76Å; I34-F37 PolarHBondContact O-N 2.93Å; F37-G41 WeakPolarHBondContact O-CA 3.38Å; F37-G41 PolarHBondContact O-N 3Å
38H77.9Confident83.1Confident131 Ų13194.7 Ų94.761%0.60651%0.506SS*.Hα-helixtrans-70.4-38.7177.8-77.5-62.9000112.8I34 L35 G42I34-H38 VanDerWaalsContact CG2-CD2 3.5Å; I34-H38 WeakPolarHBondContact CG2-CD2 3.31Å; I34-H38 PolarHBondContact O-CD2 3.19Å; I34-H38 PolarHBondContact O-N 3.46Å; L35-H38 PolarHBondContact O-N 3.43Å; H38-G42 PolarHBondContact O-N 2.68Å
39L79.3Confident83.5Confident104 Ų10493.9 Ų93.955%0.54550%0.498SS..Hα-helixtrans-71.4-59.8177.4-70.7167.5000110.8L35 T36 F43L35-L39 VanDerWaalsContact O-CB 3.25Å; L35-L39 WeakPolarHBondContact O-CB 3.35Å; L35-L39 WeakPolarHBondContact O-CD1 3.42Å; L35-L39 WeakPolarHBondContact O-CG 3.47Å; L35-L39 PolarHBondContact O-N 3.32Å; T36-L39 PolarHBondContact O-N 2.81Å; L39-F43 WeakPolarHBondContact O-CD2 3.41Å; L39-F43 PolarHBondContact O-N 2.84Å
40Y83.2Confident84.2Confident162 Ų16295.6 Ų95.664%0.63550%0.501SS*.Hα-helixtrans-77.5-31.8-175.5-65.2-76.8000113.2T36 G42 F43 F44T36-Y40 HydrophobicContact CG2-CD2 4.23Å; T36-Y40 HydrophobicContact CG2-CE2 4.09Å; T36-Y40 WeakPolarHBondContact O-CA 3.36Å; T36-Y40 VanDerWaalsContact O-CB 3.26Å; T36-Y40 WeakPolarHBondContact O-CB 3.4Å; T36-Y40 VanDerWaalsContact O-CD2 3.28Å; T36-Y40 WeakPolarHBondContact O-CD2 3.47Å; T36-Y40 PolarHBondContact O-N 3.32Å; Y40-G42 VanDerWaalsContact C-N 3.33Å; Y40-F43 PolarHBondContact O-N 2.75Å; Y40-F44 WeakPolarHBondContact O-CB 3.39Å; Y40-F44 PolarHBondContact O-N 3.24Å
41G86.5Confident84.8Confident23 Ų2393.6 Ų93.624%0.23750%0.499CS..Hα-helixtrans-66.5-34.6174.900000112.4F37 L45F37-G41 WeakPolarHBondContact O-CA 3.38Å; F37-G41 PolarHBondContact O-N 3Å; G41-L45 VanDerWaalsContact O-CB 3.27Å; G41-L45 WeakPolarHBondContact O-CB 3.41Å; G41-L45 PolarHBondContact O-N 3.11Å
42G86.2Confident85.3Confident38 Ų3892.1 Ų92.139%0.39250%0.497SS..Hα-helixtrans-64.3-49171.600000112.7H38 Y40 F44 L45 L46H38-G42 PolarHBondContact O-N 2.68Å; Y40-G42 VanDerWaalsContact C-N 3.33Å; G42-F44 VanDerWaalsContact C-N 3.35Å; G42-F44 PolarHBondContact O-N 2.83Å; G42-L45 PolarHBondContact O-N 3.47Å; G42-L46 WeakPolarHBondContact O-CB 3.16Å; G42-L46 PolarHBondContact O-N 3.29Å
43F88.9Confident85.9Confident143 Ų14393.3 Ų93.363%0.62750%0.5SS*.Hα-helixtrans-62.8-40.3175.8-71.9-63.3000112.6L39 Y40 L46 A47L39-F43 WeakPolarHBondContact O-CD2 3.41Å; L39-F43 PolarHBondContact O-N 2.84Å; Y40-F43 PolarHBondContact O-N 2.75Å; F43-L46 PolarHBondContact O-N 2.75Å; F43-A47 WeakPolarHBondContact O-CB 3.47Å; F43-A47 PolarHBondContact O-N 3.02Å
44F88.6Confident86.6Confident137 Ų13790.5 Ų90.560%0.60149%0.493SS*.Hα-helixtrans-64.4-46.3176.9-179.2-104.5000111.6Y40 G42 L46 A47 L48Y40-F44 WeakPolarHBondContact O-CB 3.39Å; Y40-F44 PolarHBondContact O-N 3.24Å; G42-F44 VanDerWaalsContact C-N 3.35Å; G42-F44 PolarHBondContact O-N 2.83Å; F44-L46 VanDerWaalsContact C-N 3.35Å; F44-L46 PolarHBondContact O-N 3.34Å; F44-A47 PolarHBondContact O-N 3.1Å; F44-L48 HydrophobicContact CD1-CD1 3.93Å; F44-L48 HydrophobicContact CD1-CG 4.44Å; F44-L48 HydrophobicContact CE1-CD1 3.41Å; F44-L48 VanDerWaalsContact CE1-CD1 3.41Å; F44-L48 HydrophobicContact CE1-CG 4.1Å; F44-L48 HydrophobicContact CZ-CD1 3.81Å; F44-L48 HydrophobicContact CZ-CD2 4.3Å; F44-L48 HydrophobicContact CZ-CG 4.14Å; F44-L48 WeakPolarHBondContact O-CG 3.25Å; F44-L48 PolarHBondContact O-N 3.4Å
45L86.7Confident87.2Confident103 Ų10388.6 Ų88.654%0.53949%0.492SS..Hα-helixtrans-60.6-44.1175.418063.3000111.5G41 G42 A47 L48 I49G41-L45 VanDerWaalsContact O-CB 3.27Å; G41-L45 WeakPolarHBondContact O-CB 3.41Å; G41-L45 PolarHBondContact O-N 3.11Å; G42-L45 PolarHBondContact O-N 3.47Å; L45-A47 PolarHBondContact O-N 3.45Å; L45-L48 PolarHBondContact O-N 2.87Å; L45-I49 HydrophobicContact CD1-CD1 4.33Å; L45-I49 HydrophobicContact CG-CD1 4.04Å; L45-I49 WeakPolarHBondContact O-CG1 3.46Å; L45-I49 PolarHBondContact O-N 3.46Å
46L88.6Confident87.8Confident91 Ų9189.9 Ų89.948%0.47650%0.499SS..Hα-helixtrans-60.2-45.3175.7178.862.9000111.5G42 F43 F44 L48 I49 L50G42-L46 WeakPolarHBondContact O-CB 3.16Å; G42-L46 PolarHBondContact O-N 3.29Å; F43-L46 PolarHBondContact O-N 2.75Å; F44-L46 VanDerWaalsContact C-N 3.35Å; F44-L46 PolarHBondContact O-N 3.34Å; L46-L48 VanDerWaalsContact C-N 3.32Å; L46-L48 PolarHBondContact O-N 2.94Å; L46-I49 PolarHBondContact O-N 3.42Å; L46-L50 HydrophobicContact CD1-CD1 4.32Å; L46-L50 HydrophobicContact CD1-CG 4.29Å; L46-L50 HydrophobicContact CG-CD1 4.13Å; L46-L50 HydrophobicContact CG-CG 4.5Å; L46-L50 WeakPolarHBondContact O-CG 3.39Å; L46-L50 PolarHBondContact O-N 3.03Å
47A92.1Very high88.5Confident55 Ų5592 Ų9246%0.45551%0.507SS..Hα-helixtrans-60.9-41.3177.100000111.8F43 F44 L45 L50 A51F43-A47 WeakPolarHBondContact O-CB 3.47Å; F43-A47 PolarHBondContact O-N 3.02Å; F44-A47 PolarHBondContact O-N 3.1Å; L45-A47 PolarHBondContact O-N 3.45Å; A47-L50 PolarHBondContact O-N 3.33Å; A47-A51 VanDerWaalsContact O-CB 3.29Å; A47-A51 WeakPolarHBondContact O-CB 3.29Å; A47-A51 PolarHBondContact O-N 2.82Å
48L92.9Very high89.2Confident81 Ų8189.2 Ų89.242%0.42449%0.493SS..Hα-helixtrans-63-45.5174.6-72.9179.7000112F44 L45 L46 L50 A51 S52F44-L48 HydrophobicContact CD1-CD1 3.93Å; F44-L48 HydrophobicContact CD1-CG 4.44Å; F44-L48 HydrophobicContact CE1-CD1 3.41Å; F44-L48 VanDerWaalsContact CE1-CD1 3.41Å; F44-L48 HydrophobicContact CE1-CG 4.1Å; F44-L48 HydrophobicContact CZ-CD1 3.81Å; F44-L48 HydrophobicContact CZ-CD2 4.3Å; F44-L48 HydrophobicContact CZ-CG 4.14Å; F44-L48 WeakPolarHBondContact O-CG 3.25Å; F44-L48 PolarHBondContact O-N 3.4Å; L45-L48 PolarHBondContact O-N 2.87Å; L46-L48 VanDerWaalsContact C-N 3.32Å; L46-L48 PolarHBondContact O-N 2.94Å; L48-L50 PolarHBondContact O-N 3.01Å; L48-A51 PolarHBondContact O-N 3.31Å; L48-S52 WeakPolarHBondContact O-CB 3.28Å; L48-S52 PolarHBondContact O-N 3.44Å; L48-S52 PolarHBondContact O-OG 3.2Å; L48-S52 VanDerWaalsContact O-OG 3.07Å
49I92.2Very high89.8Confident86 Ų8689.6 Ų89.644%0.44149%0.493SS..Hα-helixtrans-59.7-48177-69.3166.1000110.3L45 L46 A51 S52 V53L45-I49 HydrophobicContact CD1-CD1 4.33Å; L45-I49 HydrophobicContact CG-CD1 4.04Å; L45-I49 WeakPolarHBondContact O-CG1 3.46Å; L45-I49 PolarHBondContact O-N 3.46Å; L46-I49 PolarHBondContact O-N 3.42Å; I49-A51 VanDerWaalsContact C-N 3.33Å; I49-A51 PolarHBondContact O-N 2.93Å; I49-S52 PolarHBondContact O-N 3.48Å; I49-V53 HydrophobicContact CG2-CG2 4.36Å; I49-V53 WeakPolarHBondContact O-CB 3.44Å; I49-V53 VanDerWaalsContact O-CG2 3.3Å; I49-V53 WeakPolarHBondContact O-CG2 3.49Å; I49-V53 PolarHBondContact O-N 3.37Å
50L92.8Very high90.4Very high106 Ų10689.8 Ų89.856%0.55549%0.489SS*.Hα-helixtrans-61.5-41.8178.1-69.6174.4000111.6L46 A47 L48 V53 A54L46-L50 HydrophobicContact CD1-CD1 4.32Å; L46-L50 HydrophobicContact CD1-CG 4.29Å; L46-L50 HydrophobicContact CG-CD1 4.13Å; L46-L50 HydrophobicContact CG-CG 4.5Å; L46-L50 WeakPolarHBondContact O-CG 3.39Å; L46-L50 PolarHBondContact O-N 3.03Å; A47-L50 PolarHBondContact O-N 3.33Å; L48-L50 PolarHBondContact O-N 3.01Å; L50-V53 PolarHBondContact O-N 2.99Å; L50-A54 VanDerWaalsContact O-CB 3.24Å; L50-A54 WeakPolarHBondContact O-CB 3.42Å; L50-A54 PolarHBondContact O-N 2.91Å
51A93.1Very high90.9Very high61 Ų6184.2 Ų84.250%0.50447%0.469SS..Hα-helixtrans-64.5-41.5175.800000112.1A47 L48 I49 A54 G55A47-A51 VanDerWaalsContact O-CB 3.29Å; A47-A51 WeakPolarHBondContact O-CB 3.29Å; A47-A51 PolarHBondContact O-N 2.82Å; L48-A51 PolarHBondContact O-N 3.31Å; I49-A51 VanDerWaalsContact C-N 3.33Å; I49-A51 PolarHBondContact O-N 2.93Å; A51-A54 PolarHBondContact O-N 3.35Å; A51-G55 PolarHBondContact O-N 2.85Å
52S92.9Very high91.2Very high72 Ų7284.4 Ų84.450%0.50347%0.465SS..Hα-helixtrans-63.8-46.8175.3-64.70000111.7L48 I49 A54 G55 I56L48-S52 WeakPolarHBondContact O-CB 3.28Å; L48-S52 PolarHBondContact O-N 3.44Å; L48-S52 PolarHBondContact O-OG 3.2Å; L48-S52 VanDerWaalsContact O-OG 3.07Å; I49-S52 PolarHBondContact O-N 3.48Å; S52-A54 PolarHBondContact O-N 3.41Å; S52-G55 PolarHBondContact O-N 3.41Å; S52-I56 VanDerWaalsContact O-CG1 3.3Å; S52-I56 WeakPolarHBondContact O-CG1 3.35Å; S52-I56 PolarHBondContact O-N 2.97Å
53V92.8Very high91.4Very high73 Ų7386.8 Ų86.844%0.44247%0.471SS..Hα-helixtrans-60.9-46176.1171.50000110.4I49 L50 G55 I56 L57I49-V53 HydrophobicContact CG2-CG2 4.36Å; I49-V53 WeakPolarHBondContact O-CB 3.44Å; I49-V53 VanDerWaalsContact O-CG2 3.3Å; I49-V53 WeakPolarHBondContact O-CG2 3.49Å; I49-V53 PolarHBondContact O-N 3.37Å; L50-V53 PolarHBondContact O-N 2.99Å; V53-G55 VanDerWaalsContact C-N 3.33Å; V53-G55 PolarHBondContact O-N 3.44Å; V53-I56 PolarHBondContact O-N 3.43Å; V53-L57 HydrophobicContact CG1-CD1 3.99Å; V53-L57 HydrophobicContact CG1-CG 4.38Å; V53-L57 WeakPolarHBondContact O-CB 3.23Å; V53-L57 VanDerWaalsContact O-CG 3.32Å; V53-L57 WeakPolarHBondContact O-CG 3.3Å; V53-L57 PolarHBondContact O-N 2.78Å
54A91.4Very high91.5Very high57 Ų5784.9 Ų84.947%0.47147%0.467SS..Hα-helixtrans-60.3-42.4176.100000111.8L50 A51 S52 L57 Y58L50-A54 VanDerWaalsContact O-CB 3.24Å; L50-A54 WeakPolarHBondContact O-CB 3.42Å; L50-A54 PolarHBondContact O-N 2.91Å; A51-A54 PolarHBondContact O-N 3.35Å; S52-A54 PolarHBondContact O-N 3.41Å; A54-L57 PolarHBondContact O-N 3.26Å; A54-Y58 VanDerWaalsContact O-CB 3.27Å; A54-Y58 WeakPolarHBondContact O-CB 3.45Å; A54-Y58 PolarHBondContact O-N 3.38Å
55G92.1Very high91.8Very high37 Ų3779.6 Ų79.638%0.38145%0.445SS..Hα-helixtrans-63.2-42.2176.100000113.1A51 S52 V53 Y58 K59A51-G55 PolarHBondContact O-N 2.85Å; S52-G55 PolarHBondContact O-N 3.41Å; V53-G55 VanDerWaalsContact C-N 3.33Å; V53-G55 PolarHBondContact O-N 3.44Å; G55-Y58 PolarHBondContact O-N 3.26Å; G55-K59 PolarHBondContact O-N 2.98Å; G55-K59 VanDerWaalsContact O-N 3.07Å
56I91.5Very high92.4Very high118 Ų11875.1 Ų75.161%0.60542%0.421SS*.Hα-helixtrans-62.8-49.8174.9-68.9165.2000110.1S52 V53 Y58 K59 F60S52-I56 VanDerWaalsContact O-CG1 3.3Å; S52-I56 WeakPolarHBondContact O-CG1 3.35Å; S52-I56 PolarHBondContact O-N 2.97Å; V53-I56 PolarHBondContact O-N 3.43Å; I56-Y58 VanDerWaalsContact C-N 3.29Å; I56-Y58 PolarHBondContact O-N 3.04Å; I56-K59 PolarHBondContact O-N 3.13Å; I56-F60 WeakPolarHBondContact O-CB 3.24Å; I56-F60 PolarHBondContact O-N 2.86Å
57L91.3Very high92.7Very high105 Ų10574.5 Ų74.555%0.5541%0.414SS..Hα-helixtrans-59.9-40.5178-70.4174.9000111.8V53 A54 K59 F60 Q61V53-L57 HydrophobicContact CG1-CD1 3.99Å; V53-L57 HydrophobicContact CG1-CG 4.38Å; V53-L57 WeakPolarHBondContact O-CB 3.23Å; V53-L57 VanDerWaalsContact O-CG 3.32Å; V53-L57 WeakPolarHBondContact O-CG 3.3Å; V53-L57 PolarHBondContact O-N 2.78Å; A54-L57 PolarHBondContact O-N 3.26Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 2.85Å; L57-F60 PolarHBondContact O-N 2.79Å; L57-Q61 WeakPolarHBondContact O-CG 3.46Å; L57-Q61 PolarHBondContact O-N 3.49Å
58Y92.8Very high92.9Very high90 Ų9072.7 Ų72.735%0.35340%0.398SS..Hα-helixtrans-62.3-40.2177.4-171.2-94.7000112.3A54 G55 I56 K258A54-Y58 VanDerWaalsContact O-CB 3.27Å; A54-Y58 WeakPolarHBondContact O-CB 3.45Å; A54-Y58 PolarHBondContact O-N 3.38Å; G55-Y58 PolarHBondContact O-N 3.26Å; I56-Y58 VanDerWaalsContact C-N 3.29Å; I56-Y58 PolarHBondContact O-N 3.04Å; Y58-K258 HydrophobicContact CD1-CB 4.14Å; Y58-K258 HydrophobicContact CD1-CD 4.04Å; Y58-K258 HydrophobicContact CD1-CG 4.23Å; Y58-K258 HydrophobicContact CD2-CB 4.11Å; Y58-K258 HydrophobicContact CE1-CB 3.73Å; Y58-K258 HydrophobicContact CE1-CD 3.77Å; Y58-K258 HydrophobicContact CE1-CG 3.59Å; Y58-K258 HydrophobicContact CE2-CB 3.71Å; Y58-K258 HydrophobicContact CE2-CG 4.42Å; Y58-K258 HydrophobicContact CG-CB 4.32Å; Y58-K258 VanDerWaalsContact CZ-CA 3.49Å; Y58-K258 WeakPolarHBondContact O-CD 3.24Å; Y58-K258 WeakPolarHBondContact OH-CA 3.34Å
59K89.1Confident92.8Very high140 Ų14073.2 Ų73.261%0.60940%0.401SS*.Hα-helixtrans-72.3-36.1174-71.8-66.3-169.9173.60112.5G55 I56 L57 Q61 D62G55-K59 PolarHBondContact O-N 2.98Å; G55-K59 VanDerWaalsContact O-N 3.07Å; I56-K59 PolarHBondContact O-N 3.13Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 2.85Å; K59-Q61 PolarHBondContact O-N 2.74Å; K59-D62 PolarHBondContact O-N 3.13Å
60F92.2Very high92.9Very high108 Ų10874.3 Ų74.347%0.47441%0.405SS..Hα-helixtrans-67.1-19.8-179-163-105.4000113.4I56 L57 D62 V63 L64I56-F60 WeakPolarHBondContact O-CB 3.24Å; I56-F60 PolarHBondContact O-N 2.86Å; L57-F60 PolarHBondContact O-N 2.79Å; F60-D62 PolarHBondContact O-N 3.22Å; F60-V63 HydrophobicContact CD2-CB 4.35Å; F60-V63 HydrophobicContact CD2-CG2 4.42Å; F60-V63 HydrophobicContact CE2-CB 4.36Å; F60-V63 HydrophobicContact CE2-CG1 4.25Å; F60-V63 WeakPolarHBondContact O-CB 3.32Å; F60-V63 PolarHBondContact O-N 3.44Å; F60-V63 VanDerWaalsContact O-N 3.09Å; F60-L64 HydrophobicContact CD1-CD1 4.03Å; F60-L64 HydrophobicContact CD1-CD2 4.42Å; F60-L64 HydrophobicContact CD1-CG 3.98Å; F60-L64 HydrophobicContact CE1-CD1 4.23Å; F60-L64 HydrophobicContact CE1-CD2 3.86Å; F60-L64 HydrophobicContact CE1-CG 3.92Å; F60-L64 PolarHBondContact O-N 2.91Å
61Q94.2Very high92.8Very high45 Ų4572.2 Ų72.221%0.2140%0.397CS..Hα-helixtrans-56.8-35.1175.4-73175.336.800113.4L57 K59 V63 L64 L65 C256 K258L57-Q61 WeakPolarHBondContact O-CG 3.46Å; L57-Q61 PolarHBondContact O-N 3.49Å; K59-Q61 PolarHBondContact O-N 2.74Å; Q61-V63 VanDerWaalsContact C-N 3.3Å; Q61-V63 PolarHBondContact O-N 3.46Å; Q61-L64 PolarHBondContact O-N 3.35Å; Q61-L65 WeakPolarHBondContact O-CB 3.29Å; Q61-L65 PolarHBondContact O-N 3.38Å; Q61-L65 VanDerWaalsContact O-N 3.09Å; Q61-C256 PolarHBondContact NE2-O 3.35Å; Q61-K258 HydrophobicContact CB-CB 4.47Å
62D92.8Very high92.7Very high27 Ų2774.2 Ų74.214%0.14441%0.407CS..Hα-helixtrans-64.6-38177.4-71.1-6.4000111.7K59 F60 L64 L65 Y66 K258 N259K59-D62 PolarHBondContact O-N 3.13Å; F60-D62 PolarHBondContact O-N 3.22Å; D62-L64 VanDerWaalsContact C-N 3.25Å; D62-L64 PolarHBondContact O-N 3.48Å; D62-L65 PolarHBondContact O-N 2.65Å; D62-L65 VanDerWaalsContact O-N 3.16Å; D62-Y66 HydrophobicContact CB-CD2 3.98Å; D62-Y66 HydrophobicContact CB-CE2 4.35Å; D62-Y66 WeakPolarHBondContact O-CD2 3.24Å; D62-Y66 PolarHBondContact O-N 3.24Å; D62-K258 WeakPolarHBondContact OD1-CD 3.27Å; D62-K258 IonicContact OD1-NZ 3.21Å; D62-K258 IonicContact OD2-NZ 3.94Å; D62-K258 PolarHBondContact OD2-NZ 2.56Å; D62-N259 PolarHBondContact OD1-ND2 3.16Å
63V89.9Confident92.5Very high87 Ų8773.2 Ų73.253%0.52740%0.401SS..Hα-helixtrans-67.5-30.1179.2-178.20000111.1F60 Q61F60-V63 HydrophobicContact CD2-CB 4.35Å; F60-V63 HydrophobicContact CD2-CG2 4.42Å; F60-V63 HydrophobicContact CE2-CB 4.36Å; F60-V63 HydrophobicContact CE2-CG1 4.25Å; F60-V63 WeakPolarHBondContact O-CB 3.32Å; F60-V63 PolarHBondContact O-N 3.44Å; F60-V63 VanDerWaalsContact O-N 3.09Å; Q61-V63 VanDerWaalsContact C-N 3.3Å; Q61-V63 PolarHBondContact O-N 3.46Å
64L91.8Very high92.5Very high104 Ų10469.8 Ų69.855%0.54538%0.38SS..Hα-helixtrans-79.4-23.2175-65.9177.2000113F60 Q61 D62 F67F60-L64 HydrophobicContact CD1-CD1 4.03Å; F60-L64 HydrophobicContact CD1-CD2 4.42Å; F60-L64 HydrophobicContact CD1-CG 3.98Å; F60-L64 HydrophobicContact CE1-CD1 4.23Å; F60-L64 HydrophobicContact CE1-CD2 3.86Å; F60-L64 HydrophobicContact CE1-CG 3.92Å; F60-L64 PolarHBondContact O-N 2.91Å; Q61-L64 PolarHBondContact O-N 3.35Å; D62-L64 VanDerWaalsContact C-N 3.25Å; D62-L64 PolarHBondContact O-N 3.48Å; L64-F67 VanDerWaalsContact O-CE2 3.28Å; L64-F67 WeakPolarHBondContact O-CE2 3.48Å; L64-F67 VanDerWaalsContact O-CZ 3.29Å; L64-F67 WeakPolarHBondContact O-CZ 3.38Å
65L95.6Very high92.5Very high25 Ų2571.2 Ų71.213%0.13137%0.373CS..Hα-helixtrans-97.9-46-174.4-177.255.2000112.3Q61 D62 N137 I236 N259 F261Q61-L65 WeakPolarHBondContact O-CB 3.29Å; Q61-L65 PolarHBondContact O-N 3.38Å; Q61-L65 VanDerWaalsContact O-N 3.09Å; D62-L65 PolarHBondContact O-N 2.65Å; D62-L65 VanDerWaalsContact O-N 3.16Å; L65-N137 WeakPolarHBondContact O-CB 3.26Å; L65-N137 PolarHBondContact O-ND2 3.02Å; L65-I236 HydrophobicContact CD1-CD1 3.66Å; L65-I236 HydrophobicContact CD2-CD1 4.15Å; L65-I236 HydrophobicContact CD2-CG1 4.32Å; L65-N259 HydrophobicContact CD2-CB 3.73Å; L65-F261 HydrophobicContact CD2-CD2 4.2Å; L65-F261 HydrophobicContact CD2-CE2 3.79Å
66Y97.4Very high92.4Very high10 Ų1076.9 Ų76.94%0.03939%0.394CS..  trans-107125.7-170.5-55.1-62.7000111.2D62 P68 Y167 P174 C175 E176 L179 L208 N259 F261D62-Y66 HydrophobicContact CB-CD2 3.98Å; D62-Y66 HydrophobicContact CB-CE2 4.35Å; D62-Y66 WeakPolarHBondContact O-CD2 3.24Å; D62-Y66 PolarHBondContact O-N 3.24Å; Y66-P68 WeakPolarHBondContact O-CD 3.48Å; Y66-Y167 WeakPolarHBondContact CA-OH 3.38Å; Y66-Y167 WeakPolarHBondContact CB-OH 3.49Å; Y66-Y167 WeakPolarHBondContact CD1-OH 3.2Å; Y66-P174 HydrophobicContact CD1-CB 3.9Å; Y66-P174 HydrophobicContact CD1-CG 4.32Å; Y66-P174 HydrophobicContact CD2-CB 3.84Å; Y66-P174 HydrophobicContact CD2-CG 3.72Å; Y66-P174 HydrophobicContact CE1-CB 4.18Å; Y66-P174 HydrophobicContact CE2-CB 4.15Å; Y66-P174 HydrophobicContact CE2-CG 4.44Å; Y66-P174 WeakPolarHBondContact CE2-O 3.25Å; Y66-P174 HydrophobicContact CG-CB 3.7Å; Y66-P174 HydrophobicContact CG-CG 3.64Å; Y66-C175 VanDerWaalsContact OH-C 3.27Å; Y66-C175 WeakPolarHBondContact OH-CA 3.41Å; Y66-E176 PolarHBondContact OH-N 3.26Å; Y66-E176 VanDerWaalsContact OH-N 3.14Å; Y66-L179 HydrophobicContact CE1-CD1 4.5Å; Y66-L179 HydrophobicContact CE1-CD2 4.04Å; Y66-L208 HydrophobicContact CD1-CD2 3.91Å; Y66-L208 HydrophobicContact CE1-CD1 4.49Å; Y66-L208 HydrophobicContact CE1-CD2 3.77Å; Y66-N259 PolarHBondContact OH-OD1 3.26Å; Y66-F261 HydrophobicContact CE1-CE2 4.44Å; Y66-F261 HydrophobicContact CE1-CZ 4.42Å; Y66-F261 WeakPolarHBondContact OH-CE2 3.45Å; Y66-F261 WeakPolarHBondContact OH-CZ 3.44Å
67F96.5Very high92.3Very high77 Ų7778.2 Ų78.234%0.33839%0.392SS..BIsolated β-bridgetrans-123.760.1-178.8-58.6-83.9000111.4L64 D69 Q70 N137 A138 Y167L64-F67 VanDerWaalsContact O-CE2 3.28Å; L64-F67 WeakPolarHBondContact O-CE2 3.48Å; L64-F67 VanDerWaalsContact O-CZ 3.29Å; L64-F67 WeakPolarHBondContact O-CZ 3.38Å; F67-D69 PolarHBondContact O-N 2.75Å; F67-Q70 HydrophobicContact CB-CB 3.9Å; F67-Q70 HydrophobicContact CB-CG 3.83Å; F67-Q70 HydrophobicContact CD1-CG 4.21Å; F67-Q70 HydrophobicContact CG-CG 4.42Å; F67-Q70 PolarHBondContact O-N 2.73Å; F67-Q70 VanDerWaalsContact O-N 3.11Å; F67-N137 CarbonylContact C-O 3.58Å; F67-N137 WeakPolarHBondContact CA-O 3.5Å; F67-N137 WeakPolarHBondContact CD2-ND2 3.4Å; F67-N137 PolarHBondContact N-O 2.66Å; F67-A138 HydrophobicContact CB-CB 3.96Å; F67-A138 WeakPolarHBondContact O-CA 3.25Å; F67-Y167 PolarHBondContact N-OH 2.82Å
68P95.2Very high92.4Very high17 Ų1773.5 Ų73.511%0.1137%0.368CS..THydrogen-bonded Turntrans-62.6-28.7-179.226.6-34.5000113Y66 Q70 S74 G166 Y167Y66-P68 WeakPolarHBondContact O-CD 3.48Å; P68-Q70 VanDerWaalsContact C-N 3.3Å; P68-Q70 PolarHBondContact O-N 2.79Å; P68-S74 VanDerWaalsContact O-CB 3.27Å; P68-S74 WeakPolarHBondContact O-CB 3.25Å; P68-S74 PolarHBondContact O-OG 3.45Å; P68-S74 VanDerWaalsContact O-OG 3.1Å; P68-G166 WeakPolarHBondContact CB-O 3.39Å; P68-Y167 HydrophobicContact CB-CD1 3.83Å; P68-Y167 HydrophobicContact CB-CD2 4.21Å; P68-Y167 HydrophobicContact CB-CE1 3.94Å; P68-Y167 HydrophobicContact CB-CE2 4.31Å; P68-Y167 HydrophobicContact CB-CG 3.98Å
69D92.2Very high92.3Very high92 Ų9270.8 Ų70.849%0.49236%0.361SS..THydrogen-bonded Turntrans-87.914.2178.1-56.1-56.9000113.3F67 P71 S72 R75F67-D69 PolarHBondContact O-N 2.75Å; D69-P71 CarbonylContact C-O 3.18Å; D69-P71 CarbonylContact O-C 3.53Å; D69-S72 WeakPolarHBondContact O-CA 3.31Å; D69-S72 PolarHBondContact O-N 3Å; D69-S72 VanDerWaalsContact O-N 3.1Å; D69-R75 WeakPolarHBondContact OD1-CG 3.37Å
70Q92.3Very high92.2Very high110 Ų11067 Ų6751%0.51435%0.346SS..SBendtrans-113.1119.5178.1-68.6-63.5-21.800111.4F67 P68 A138 G139F67-Q70 HydrophobicContact CB-CB 3.9Å; F67-Q70 HydrophobicContact CB-CG 3.83Å; F67-Q70 HydrophobicContact CD1-CG 4.21Å; F67-Q70 HydrophobicContact CG-CG 4.42Å; F67-Q70 PolarHBondContact O-N 2.73Å; F67-Q70 VanDerWaalsContact O-N 3.11Å; P68-Q70 VanDerWaalsContact C-N 3.3Å; P68-Q70 PolarHBondContact O-N 2.79Å; Q70-A138 HydrophobicContact CB-CB 4.44Å; Q70-G139 WeakPolarHBondContact O-CA 3.45Å; Q70-G139 PolarHBondContact O-N 3.3Å
71P91.8Very high91.8Very high61 Ų6162.3 Ų62.340%0.39633%0.327SS..SBendcis-63.5163.8-6.529.7-37.5000112.5D69 S73 S74D69-P71 CarbonylContact C-O 3.18Å; D69-P71 CarbonylContact O-C 3.53Å; P71-S73 PolarHBondContact O-N 3Å; P71-S74 WeakPolarHBondContact O-CA 3.38Å; P71-S74 WeakPolarHBondContact O-CB 3.22Å; P71-S74 PolarHBondContact O-N 3.26Å
72S90.4Very high91.1Very high103 Ų10364.6 Ų64.672%0.7235%0.353SS*.THydrogen-bonded Turntrans-53.6-25.7-173.554.80000115.4D69 S74D69-S72 WeakPolarHBondContact O-CA 3.31Å; D69-S72 PolarHBondContact O-N 3Å; D69-S72 VanDerWaalsContact O-N 3.1Å; S72-S74 VanDerWaalsContact C-N 3.33Å
73S89.8Confident90.5Very high52 Ų5267.7 Ų67.736%0.36439%0.391SS..THydrogen-bonded Turntrans-82.3-5.1175.555.40000114.2P71 R75 L76 Y77P71-S73 PolarHBondContact O-N 3Å; S73-R75 VanDerWaalsContact C-N 3.26Å; S73-R75 PolarHBondContact O-N 3.47Å; S73-R75 VanDerWaalsContact O-N 3.16Å; S73-L76 PolarHBondContact O-N 3.47Å; S73-Y77 PolarHBondContact O-N 2.88Å
74S91.3Very high90.2Very high0 Ų066.7 Ų66.70%038%0.382CS..THydrogen-bonded Turntrans-60.8-30.1-169-176.90000113.8P68 P71 S72 G139 N140P68-S74 VanDerWaalsContact O-CB 3.27Å; P68-S74 WeakPolarHBondContact O-CB 3.25Å; P68-S74 PolarHBondContact O-OG 3.45Å; P68-S74 VanDerWaalsContact O-OG 3.1Å; P71-S74 WeakPolarHBondContact O-CA 3.38Å; P71-S74 WeakPolarHBondContact O-CB 3.22Å; P71-S74 PolarHBondContact O-N 3.26Å; S72-S74 VanDerWaalsContact C-N 3.33Å; S74-G139 WeakPolarHBondContact OG-CA 3.46Å; S74-G139 PolarHBondContact OG-O 2.66Å; S74-G139 VanDerWaalsContact OG-O 3.07Å; S74-N140 WeakPolarHBondContact CA-ND2 3.5Å; S74-N140 PolarHBondContact O-ND2 2.66Å; S74-N140 PolarHBondContact OG-ND2 2.88Å
75R92.3Very high90Very high87 Ų8767.3 Ų67.333%0.32839%0.385SS..THydrogen-bonded Turntrans-87.6-21.3174.7-70.1-70.2-74.6166.5-11.6114.1D69 S73 G166 Y167 G168 S170D69-R75 WeakPolarHBondContact OD1-CG 3.37Å; S73-R75 VanDerWaalsContact C-N 3.26Å; S73-R75 PolarHBondContact O-N 3.47Å; S73-R75 VanDerWaalsContact O-N 3.16Å; R75-G166 WeakPolarHBondContact CD-O 3.45Å; R75-G166 VanDerWaalsContact CZ-O 3.3Å; R75-G166 PolarHBondContact NE-O 2.97Å; R75-G166 PolarHBondContact NH1-O 2.9Å; R75-Y167 PolarHBondContact NH1-O 3.19Å; R75-G168 PolarHBondContact NH1-O 3.29Å; R75-S170 PolarHBondContact NH1-O 2.71Å; R75-S170 PolarHBondContact NH2-O 2.5Å
76L89.6Confident89.8Confident156 Ų15669 Ų6982%0.81739%0.393SS*.THydrogen-bonded Turntrans-91.1-36.9-178.1-63.3174.6000111.8S73S73-L76 PolarHBondContact O-N 3.47Å
77Y90.9Very high89.7Confident147 Ų14771.3 Ų71.358%0.57640%0.404SS*.  trans-131.9115-175.1-177.7-109.6000110.3S73 P79 N140S73-Y77 PolarHBondContact O-N 2.88Å; Y77-P79 HydrophobicContact CD1-CG 4.03Å; Y77-P79 HydrophobicContact CE1-CB 4.12Å; Y77-P79 HydrophobicContact CE1-CG 3.67Å; Y77-P79 WeakPolarHBondContact O-CD 3.12Å; Y77-N140 PolarHBondContact O-ND2 2.8Å
78V92.3Very high89.6Confident5 Ų570.4 Ų70.43%0.0340%0.402CS..  trans-107.4106.7171.1-178.60000107.4M80 N140 I141 K169V78-M80 PolarHBondContact O-N 2.79Å; V78-N140 HydrophobicContact CG2-CB 4.24Å; V78-I141 HydrophobicContact CG1-CD1 4.38Å; V78-I141 HydrophobicContact CG1-CG1 3.66Å; V78-K169 HydrophobicContact CB-CG 4.48Å; V78-K169 HydrophobicContact CG2-CD 4.47Å; V78-K169 HydrophobicContact CG2-CG 3.86Å
79P89.9Confident89.7Confident33 Ų3370.8 Ų70.821%0.21440%0.404CS..PPolyproline II helixtrans-56.3127.1178.1-21.727.5000111.3Y77 G142Y77-P79 HydrophobicContact CD1-CG 4.03Å; Y77-P79 HydrophobicContact CE1-CB 4.12Å; Y77-P79 HydrophobicContact CE1-CG 3.67Å; Y77-P79 WeakPolarHBondContact O-CD 3.12Å; P79-G142 WeakPolarHBondContact O-CA 3.43Å
80M88.8Confident90Very high62 Ų6271.1 Ų71.131%0.30540%0.399SS..PPolyproline II helixtrans-97147.6174.5-59.4-60.6-6700109.8V78 A82 N88 I102V78-M80 PolarHBondContact O-N 2.79Å; M80-A82 PolarHBondContact O-N 2.88Å; M80-N88 HydrophobicContact CE-CB 3.85Å; M80-I102 HydrophobicContact CE-CD1 3.84Å; M80-I102 HydrophobicContact CE-CG1 4.01Å; M80-I102 HydrophobicContact SD-CD1 3.82Å
81P82.8Confident90.3Very high9 Ų966.8 Ų66.86%0.05838%0.38CS..PPolyproline II helixtrans-63.4117.1174.97.3-4.5000110.6I84 H86 I102 L104 V145P81-I84 HydrophobicContact CB-CB 4.27Å; P81-H86 HydrophobicContact CG-CB 4.06Å; P81-H86 PolarHBondContact O-CE1 2.97Å; P81-H86 PolarHBondContact O-ND1 3.02Å; P81-I102 HydrophobicContact CG-CG2 4.48Å; P81-L104 HydrophobicContact CG-CD2 3.85Å; P81-V145 HydrophobicContact CB-CG1 3.73Å; P81-V145 HydrophobicContact CG-CG1 3.96Å; P81-V145 HydrophobicContact CG-CG2 4.28Å
82A80.4Confident90.6Very high93 Ų9371.5 Ų71.577%0.76939%0.389SS*.THydrogen-bonded Turntrans-84.8134.8175.400000110.7M80 I84M80-A82 PolarHBondContact O-N 2.88Å; A82-I84 VanDerWaalsContact C-N 3.26Å; A82-I84 PolarHBondContact O-N 3.39Å
83G80.1Confident91Very high91 Ų9167 Ų6794%0.93836%0.357SS*.THydrogen-bonded Turntrans72.612.6174.800000115.4
84I83.1Confident91.4Very high66 Ų6671.9 Ų71.934%0.33837%0.372SS..SBendtrans-125.6135.7-178.9-56.8172.9000108.7P81 A82 H86 L149P81-I84 HydrophobicContact CB-CB 4.27Å; A82-I84 VanDerWaalsContact C-N 3.26Å; A82-I84 PolarHBondContact O-N 3.39Å; I84-H86 PolarHBondContact O-N 3.42Å; I84-H86 PolarHBondContact O-ND1 3.36Å; I84-L149 HydrophobicContact CB-CD2 4.48Å; I84-L149 HydrophobicContact CD1-CD1 3.31Å; I84-L149 HydrophobicContact CD1-CD2 3.38Å; I84-L149 HydrophobicContact CD1-CG 3.95Å; I84-L149 HydrophobicContact CG1-CD2 4.44Å; I84-L149 HydrophobicContact CG2-CD2 3.83Å
85L86.6Confident91.7Very high117 Ų11775.9 Ų75.961%0.61339%0.393SS*.  trans-64.1116.7178.5-176.366.1000109.9T107L85-T107 HydrophobicContact CD2-CG2 3.91Å
86H92.7Very high92Very high61 Ų6173.4 Ų73.428%0.28240%0.395SS..EExtended strand (participates in β ladder)trans-146.7154.5179.266.7-81.7000111P81 I84 I102 L103 L104P81-H86 HydrophobicContact CG-CB 4.06Å; P81-H86 PolarHBondContact O-CE1 2.97Å; P81-H86 PolarHBondContact O-ND1 3.02Å; I84-H86 PolarHBondContact O-N 3.42Å; I84-H86 PolarHBondContact O-ND1 3.36Å; H86-I102 HydrophobicContact CB-CG2 4.36Å; H86-L103 CarbonylContact C-O 3.32Å; H86-L103 VanDerWaalsContact CA-O 3.26Å; H86-L103 WeakPolarHBondContact CA-O 3.35Å; H86-L104 HydrophobicContact CB-CD2 3.59Å
87E94.8Very high92.4Very high59 Ų5967 Ų6728%0.27636%0.362SS..EExtended strand (participates in β ladder)trans-114131.7170.6-63.7175.3-126.500109.2V89 I102 L103 R105 R193E87-V89 HydrophobicContact CB-CG2 3.99Å; E87-I102 WeakPolarHBondContact O-CA 3.32Å; E87-L103 HydrophobicContact CB-CB 4.28Å; E87-L103 PolarHBondContact N-O 3.48Å; E87-L103 PolarHBondContact O-N 3.27Å; E87-R105 IonicContact OE1-CZ 2.85Å; E87-R105 IonicContact OE1-NE 3.13Å; E87-R105 PolarHBondContact OE1-NE 2.86Å; E87-R105 IonicContact OE1-NH2 2.74Å; E87-R105 PolarHBondContact OE1-NH2 3.2Å; E87-R193 VanDerWaalsContact CD-NH2 3.34Å; E87-R193 IonicContact OE1-CZ 3.76Å; E87-R193 IonicContact OE1-NH1 3.8Å; E87-R193 IonicContact OE1-NH2 2.67Å; E87-R193 PolarHBondContact OE1-NH2 2.99Å; E87-R193 VanDerWaalsContact OE1-NH2 3.13Å; E87-R193 IonicContact OE2-CZ 2.91Å; E87-R193 VanDerWaalsContact OE2-CZ 3.24Å; E87-R193 IonicContact OE2-NH1 2.81Å; E87-R193 PolarHBondContact OE2-NH1 3.07Å; E87-R193 IonicContact OE2-NH2 3.46Å; E87-R193 PolarHBondContact OE2-NH2 3.19Å
88N95.3Very high92.8Very high58 Ų5863.2 Ų63.231%0.3135%0.349SS..EExtended strand (participates in β ladder)trans-96.5117.1169-165.346000108.8M80 N100 L101M80-N88 HydrophobicContact CE-CB 3.85Å; N88-N100 PolarHBondContact ND2-OD1 2.93Å; N88-N100 PolarHBondContact OD1-OD1 3.41Å; N88-L101 PolarHBondContact OD1-O 3.49Å
89V96.6Very high93.1Very high24 Ų2463 Ų6315%0.14535%0.347CS..EExtended strand (participates in β ladder)trans-123.7138.3-168.5-177.50000109.8E87 I91 L101 Y189E87-V89 HydrophobicContact CB-CG2 3.99Å; V89-I91 HydrophobicContact CG1-CG2 4.05Å; V89-L101 HydrophobicContact CB-CB 4.37Å; V89-L101 PolarHBondContact N-O 2.95Å; V89-L101 PolarHBondContact O-N 3.27Å; V89-Y189 HydrophobicContact CG1-CD2 4.49Å; V89-Y189 HydrophobicContact CG1-CE2 3.71Å; V89-Y189 WeakPolarHBondContact CG2-OH 3.47Å
90Y98.2Very high93.5Very high100 Ų10061.4 Ų61.439%0.39234%0.337SS..EExtended strand (participates in β ladder)trans-112126.1172.1-64.8-86.7000110.3K98 L99 N100 K169Y90-K98 HydrophobicContact CD1-CD 4.32Å; Y90-K98 HydrophobicContact CD1-CG 4.25Å; Y90-L99 WeakPolarHBondContact CA-O 3.21Å; Y90-N100 HydrophobicContact CD1-CB 4.08Å; Y90-N100 HydrophobicContact CE1-CB 3.76Å; Y90-N100 WeakPolarHBondContact CE1-OD1 3.45Å; Y90-K169 HydrophobicContact CE1-CB 4.43Å
91I98.5Very high93.9Very high19 Ų1958.5 Ų58.510%0.09732%0.323CS..EExtended strand (participates in β ladder)trans-117.3168.1176.969.4174.8000110V89 K98 L99 L101 A185 Y189V89-I91 HydrophobicContact CG1-CG2 4.05Å; I91-K98 WeakPolarHBondContact O-CA 3.26Å; I91-L99 HydrophobicContact CD1-CD1 4.48Å; I91-L99 HydrophobicContact CG1-CB 3.95Å; I91-L99 HydrophobicContact CG1-CD1 4.45Å; I91-L99 PolarHBondContact N-O 3.5Å; I91-L99 PolarHBondContact O-N 3.26Å; I91-L101 HydrophobicContact CD1-CD1 3.72Å; I91-L101 HydrophobicContact CD1-CD2 3.87Å; I91-L101 HydrophobicContact CD1-CG 4.49Å; I91-L101 HydrophobicContact CG1-CD1 3.68Å; I91-L101 HydrophobicContact CG1-CD2 4.45Å; I91-L101 HydrophobicContact CG2-CD2 4.35Å; I91-A185 HydrophobicContact CD1-CB 3.94Å; I91-A185 WeakPolarHBondContact CD1-O 3.14Å; I91-Y189 HydrophobicContact CG2-CD2 3.65Å; I91-Y189 HydrophobicContact CG2-CE2 4.28Å; I91-Y189 HydrophobicContact CG2-CG 3.85Å
92R98.5Very high94.6Very high159 Ų15958 Ų5860%0.632%0.32SS*.EExtended strand (participates in β ladder)trans-117.9138171.6-69.2-170.6178.1-79.1-1.5110.5G96 V97R92-G96 PolarHBondContact NH1-O 2.86Å; R92-V97 WeakPolarHBondContact CA-O 3.4Å
93T98.6Very high95.4Very high8 Ų853.7 Ų53.75%0.04928%0.284CS..  trans-74.3169.3170.260.20000111.3D95 G96 V97 L99 D182 A185T93-D95 WeakPolarHBondContact CB-OD1 3.35Å; T93-D95 PolarHBondContact O-N 2.74Å; T93-D95 PolarHBondContact OG1-OD1 3.31Å; T93-G96 PolarHBondContact O-N 3.16Å; T93-G96 PolarHBondContact OG1-N 3.28Å; T93-V97 HydrophobicContact CG2-CB 4.43Å; T93-V97 PolarHBondContact N-O 3.23Å; T93-V97 WeakPolarHBondContact OG1-CB 3.29Å; T93-V97 PolarHBondContact OG1-N 2.85Å; T93-V97 PolarHBondContact OG1-O 3.05Å; T93-L99 HydrophobicContact CG2-CD1 3.47Å; T93-L99 VanDerWaalsContact CG2-CD1 3.47Å; T93-L99 HydrophobicContact CG2-CD2 4.43Å; T93-L99 HydrophobicContact CG2-CG 3.86Å; T93-D182 WeakPolarHBondContact CG2-OD1 3.5Å; T93-A185 HydrophobicContact CG2-CB 3.92Å
94K97.7Very high96.2Very high156 Ų15649.3 Ų49.368%0.67824%0.239SC*.THydrogen-bonded Turntrans-60.1-29.7177.3-67.7176.9-179.1166.70112.9G96 D188K94-G96 VanDerWaalsContact C-N 3.34Å; K94-D188 IonicContact NZ-OD2 2.76Å
95D98.2Very high96.6Very high83 Ų8348.8 Ų48.844%0.44423%0.233SC..THydrogen-bonded Turntrans-908174.464.4-34.3000113.8T93 R165 L181T93-D95 WeakPolarHBondContact CB-OD1 3.35Å; T93-D95 PolarHBondContact O-N 2.74Å; T93-D95 PolarHBondContact OG1-OD1 3.31Å; D95-R165 IonicContact OD1-CZ 3.73Å; D95-R165 IonicContact OD1-NH1 3.2Å; D95-R165 IonicContact OD1-NH2 2.72Å; D95-R165 PolarHBondContact OD1-NH2 3.4Å; D95-R165 IonicContact OD2-CZ 2.63Å; D95-R165 IonicContact OD2-NH1 2.72Å; D95-R165 PolarHBondContact OD2-NH1 3.16Å; D95-R165 IonicContact OD2-NH2 3.07Å; D95-R165 PolarHBondContact OD2-NH2 2.83Å; D95-L181 HydrophobicContact CB-CD1 4.2Å
96G98.2Very high96.8Very high35 Ų3545.7 Ų45.736%0.36121%0.213SC..  trans89.4-0.5169.300000116.1R92 T93 K94R92-G96 PolarHBondContact NH1-O 2.86Å; T93-G96 PolarHBondContact O-N 3.16Å; T93-G96 PolarHBondContact OG1-N 3.28Å; K94-G96 VanDerWaalsContact C-N 3.34Å
97V98.6Very high96.3Very high22 Ų2246.6 Ų46.613%0.13322%0.223CC..  trans-68.4130.8178.6-177.60000110.1R92 T93 L99 R165 E171R92-V97 WeakPolarHBondContact CA-O 3.4Å; T93-V97 HydrophobicContact CG2-CB 4.43Å; T93-V97 PolarHBondContact N-O 3.23Å; T93-V97 WeakPolarHBondContact OG1-CB 3.29Å; T93-V97 PolarHBondContact OG1-N 2.85Å; T93-V97 PolarHBondContact OG1-O 3.05Å; V97-L99 HydrophobicContact CG1-CD2 4.18Å; V97-R165 HydrophobicContact CG1-CB 3.86Å; V97-E171 HydrophobicContact CG1-CB 4.25Å; V97-E171 WeakPolarHBondContact CG1-O 3.04Å
98K98.7Very high95.2Very high67 Ų6745.1 Ų45.129%0.29122%0.224SC..EExtended strand (participates in β ladder)trans-82.7124.4176.7-171.6-176.9175.8-172.20110.6Y90 I91 E171Y90-K98 HydrophobicContact CD1-CD 4.32Å; Y90-K98 HydrophobicContact CD1-CG 4.25Å; I91-K98 WeakPolarHBondContact O-CA 3.26Å; K98-E171 HydrophobicContact CB-CB 4.38Å; K98-E171 HydrophobicContact CB-CG 4.05Å; K98-E171 VanDerWaalsContact CB-OE2 3.29Å; K98-E171 WeakPolarHBondContact CB-OE2 3.42Å; K98-E171 PolarHBondContact O-N 3.34Å
99L98.7Very high93.2Very high0 Ų045 Ų450%024%0.237CC..EExtended strand (participates in β ladder)trans-110.4147.8178-57179.7000111.5Y90 I91 T93 V97 L101 V162 R165 S170 D182Y90-L99 WeakPolarHBondContact CA-O 3.21Å; I91-L99 HydrophobicContact CD1-CD1 4.48Å; I91-L99 HydrophobicContact CG1-CB 3.95Å; I91-L99 HydrophobicContact CG1-CD1 4.45Å; I91-L99 PolarHBondContact N-O 3.5Å; I91-L99 PolarHBondContact O-N 3.26Å; T93-L99 HydrophobicContact CG2-CD1 3.47Å; T93-L99 VanDerWaalsContact CG2-CD1 3.47Å; T93-L99 HydrophobicContact CG2-CD2 4.43Å; T93-L99 HydrophobicContact CG2-CG 3.86Å; V97-L99 HydrophobicContact CG1-CD2 4.18Å; L99-L101 HydrophobicContact CB-CD1 3.97Å; L99-V162 HydrophobicContact CD1-CG2 4.41Å; L99-R165 HydrophobicContact CD2-CB 4.17Å; L99-S170 WeakPolarHBondContact CA-OG 3.4Å; L99-D182 HydrophobicContact CD1-CB 3.57Å; L99-D182 HydrophobicContact CD2-CB 4.46Å
100N98.1Very high90.9Very high0 Ų050.5 Ų50.50%027%0.265CS..EExtended strand (participates in β ladder)trans-102.8125.6174.7-178.152.8000110.6N88 Y90 I141 D163 K169 S170N88-N100 PolarHBondContact ND2-OD1 2.93Å; N88-N100 PolarHBondContact OD1-OD1 3.41Å; Y90-N100 HydrophobicContact CD1-CB 4.08Å; Y90-N100 HydrophobicContact CE1-CB 3.76Å; Y90-N100 WeakPolarHBondContact CE1-OD1 3.45Å; N100-I141 WeakPolarHBondContact ND2-CD1 3.12Å; N100-D163 HydrophobicContact CB-CB 4.36Å; N100-D163 PolarHBondContact ND2-OD2 2.7Å; N100-D163 VanDerWaalsContact ND2-OD2 3.11Å; N100-D163 PolarHBondContact O-N 2.79Å; N100-K169 HydrophobicContact CB-CB 3.84Å; N100-S170 PolarHBondContact N-OG 3.46Å
101L98.2Very high88.2Confident1 Ų149.1 Ų49.11%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-122146.1179.1-78.864.7000110.2N88 V89 I91 L99 V160 L161 V162 T186 Y189N88-L101 PolarHBondContact OD1-O 3.49Å; V89-L101 HydrophobicContact CB-CB 4.37Å; V89-L101 PolarHBondContact N-O 2.95Å; V89-L101 PolarHBondContact O-N 3.27Å; I91-L101 HydrophobicContact CD1-CD1 3.72Å; I91-L101 HydrophobicContact CD1-CD2 3.87Å; I91-L101 HydrophobicContact CD1-CG 4.49Å; I91-L101 HydrophobicContact CG1-CD1 3.68Å; I91-L101 HydrophobicContact CG1-CD2 4.45Å; I91-L101 HydrophobicContact CG2-CD2 4.35Å; L99-L101 HydrophobicContact CB-CD1 3.97Å; L101-V160 HydrophobicContact CD2-CG1 3.82Å; L101-V160 HydrophobicContact CG-CG1 4.34Å; L101-L161 CarbonylContact C-O 3.44Å; L101-L161 WeakPolarHBondContact CA-O 3.41Å; L101-L161 WeakPolarHBondContact CB-O 3.16Å; L101-V162 HydrophobicContact CD1-CB 4.3Å; L101-V162 HydrophobicContact CD1-CG2 3.86Å; L101-V162 HydrophobicContact CG-CB 4.15Å; L101-V162 HydrophobicContact CG-CG2 4.27Å; L101-T186 HydrophobicContact CD2-CG2 4.08Å; L101-Y189 HydrophobicContact CD2-CD1 3.67Å; L101-Y189 HydrophobicContact CD2-CE1 4Å; L101-Y189 HydrophobicContact CD2-CG 4.31Å
102I97.4Very high85.4Confident0 Ų053.2 Ų53.20%031%0.307CS..EExtended strand (participates in β ladder)trans-114.9122.3165.4-70169.5000108.3M80 P81 H86 E87 L104 I141 V160 L161M80-I102 HydrophobicContact CE-CD1 3.84Å; M80-I102 HydrophobicContact CE-CG1 4.01Å; M80-I102 HydrophobicContact SD-CD1 3.82Å; P81-I102 HydrophobicContact CG-CG2 4.48Å; H86-I102 HydrophobicContact CB-CG2 4.36Å; E87-I102 WeakPolarHBondContact O-CA 3.32Å; I102-L104 HydrophobicContact CG2-CD2 3.7Å; I102-L104 HydrophobicContact CG2-CG 4.13Å; I102-I141 HydrophobicContact CB-CD1 4.25Å; I102-I141 HydrophobicContact CD1-CB 4.46Å; I102-I141 HydrophobicContact CD1-CD1 3.43Å; I102-I141 VanDerWaalsContact CD1-CD1 3.43Å; I102-I141 HydrophobicContact CD1-CG1 3.76Å; I102-I141 HydrophobicContact CG1-CD1 3.53Å; I102-I141 HydrophobicContact CG1-CG1 4.38Å; I102-V160 WeakPolarHBondContact O-CA 3.49Å; I102-L161 HydrophobicContact CB-CD1 4.28Å; I102-L161 HydrophobicContact CG2-CD1 4.2Å; I102-L161 PolarHBondContact N-O 2.81Å; I102-L161 PolarHBondContact O-N 3Å
103L97.3Very high82.5Confident1 Ų149 Ų491%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-100.5118.9171.9167.556.7000109.6H86 E87 R105 N158 V160 L196H86-L103 CarbonylContact C-O 3.32Å; H86-L103 VanDerWaalsContact CA-O 3.26Å; H86-L103 WeakPolarHBondContact CA-O 3.35Å; E87-L103 HydrophobicContact CB-CB 4.28Å; E87-L103 PolarHBondContact N-O 3.48Å; E87-L103 PolarHBondContact O-N 3.27Å; L103-R105 HydrophobicContact CD1-CG 4.34Å; L103-R105 HydrophobicContact CD2-CG 4.45Å; L103-R105 HydrophobicContact CG-CG 4.17Å; L103-N158 HydrophobicContact CD1-CB 4.48Å; L103-V160 HydrophobicContact CD1-CG2 3.73Å; L103-L196 HydrophobicContact CD1-CD1 4.33Å; L103-L196 HydrophobicContact CD2-CD1 4.09Å
104L95.9Very high79.5Confident0 Ų052.7 Ų52.70%034%0.341CS..EExtended strand (participates in β ladder)trans-102.9121.1171.5-52177.9000108.5P81 H86 I102 A148 L149 L152 N158 V159 L161P81-L104 HydrophobicContact CG-CD2 3.85Å; H86-L104 HydrophobicContact CB-CD2 3.59Å; I102-L104 HydrophobicContact CG2-CD2 3.7Å; I102-L104 HydrophobicContact CG2-CG 4.13Å; L104-A148 HydrophobicContact CD1-CB 3.83Å; L104-L149 HydrophobicContact CD1-CD2 3.99Å; L104-L149 HydrophobicContact CD1-CG 4.4Å; L104-L152 HydrophobicContact CB-CD1 3.45Å; L104-L152 VanDerWaalsContact CB-CD1 3.45Å; L104-N158 WeakPolarHBondContact O-CA 3.44Å; L104-V159 HydrophobicContact CB-CB 4.38Å; L104-V159 PolarHBondContact N-O 2.91Å; L104-V159 PolarHBondContact O-N 2.98Å; L104-L161 HydrophobicContact CD1-CD1 3.79Å; L104-L161 HydrophobicContact CG-CD1 3.98Å
105R92.4Very high76.6Confident54 Ų5450.1 Ų50.120%0.20434%0.338CS..PPolyproline II helixtrans-98131.7-177.2-69.8-178.2178.7-84.9-6111.3E87 L103 T107 N158 R193 D195E87-R105 IonicContact OE1-CZ 2.85Å; E87-R105 IonicContact OE1-NE 3.13Å; E87-R105 PolarHBondContact OE1-NE 2.86Å; E87-R105 IonicContact OE1-NH2 2.74Å; E87-R105 PolarHBondContact OE1-NH2 3.2Å; L103-R105 HydrophobicContact CD1-CG 4.34Å; L103-R105 HydrophobicContact CD2-CG 4.45Å; L103-R105 HydrophobicContact CG-CG 4.17Å; R105-T107 PolarHBondContact O-N 3.26Å; R105-N158 WeakPolarHBondContact CA-OD1 3.38Å; R105-R193 VanDerWaalsContact NH2-CZ 3.27Å; R105-D195 IonicContact CZ-OD2 2.82Å; R105-D195 IonicContact NH1-OD2 2.85Å; R105-D195 PolarHBondContact NH1-OD2 3.27Å; R105-D195 IonicContact NH2-OD1 3.87Å; R105-D195 IonicContact NH2-OD2 3.4Å; R105-D195 PolarHBondContact NH2-OD2 3.26Å
106Y91.1Very high73.7Confident52 Ų5252.2 Ų52.220%0.20435%0.354CS..  trans-80.8112.9168.2-177.5-105.6000109.4G109 P128 L152 K156 N158Y106-G109 PolarHBondContact OH-N 3.5Å; Y106-P128 HydrophobicContact CD1-CB 4.38Å; Y106-P128 HydrophobicContact CD1-CG 4.14Å; Y106-L152 HydrophobicContact CD2-CD2 4.07Å; Y106-L152 HydrophobicContact CD2-CG 4.38Å; Y106-L152 WeakPolarHBondContact CD2-O 3.36Å; Y106-K156 HydrophobicContact CD1-CB 4.19Å; Y106-K156 HydrophobicContact CE1-CB 3.72Å; Y106-K156 HydrophobicContact CE1-CG 4.26Å; Y106-K156 HydrophobicContact CE2-CB 4.09Å; Y106-K156 HydrophobicContact CE2-CG 4.12Å; Y106-N158 PolarHBondContact N-OD1 2.81Å
107T81.3Confident70.7Confident80 Ų8055.6 Ų55.649%0.49137%0.372SS..  trans-95.610.8-176.357.10000114L85 R105 S111L85-T107 HydrophobicContact CD2-CG2 3.91Å; R105-T107 PolarHBondContact O-N 3.26Å; T107-S111 PolarHBondContact O-OG 3.25Å
108G71.2Confident67.8Low28 Ų2859.9 Ų59.929%0.28940%0.399SS..  trans77144.1-173.200000112.6D110 S111G108-D110 PolarHBondContact O-N 3.37Å; G108-S111 PolarHBondContact O-N 2.9Å
109G53.3Low65.2Low56 Ų5664 Ų6458%0.57742%0.424SS*.G310 helixtrans-63.1-6.5-177.200000115.8Y106Y106-G109 PolarHBondContact OH-N 3.5Å
110D48.5Very low62.1Low139 Ų13972.7 Ų72.774%0.74347%0.465SS*.G310 helixtrans-88.9-5.9-176-58.2-26.8000113.2G108 A112 S113G108-D110 PolarHBondContact O-N 3.37Å; D110-A112 VanDerWaalsContact C-N 3.27Å; D110-A112 PolarHBondContact O-N 3.02Å; D110-S113 PolarHBondContact O-OG 3.27Å
111S41.2Very low59.2Low71 Ų7178.2 Ų78.250%0.49750%0.503SS..G310 helixtrans-79.8-0.9-179.9-60.80000114.4T107 G108 S113T107-S111 PolarHBondContact O-OG 3.25Å; G108-S111 PolarHBondContact O-N 2.9Å; S111-S113 PolarHBondContact O-N 2.92Å
112A40.8Very low56Low105 Ų10581.9 Ų81.987%0.86853%0.529SS*.G310 helixtrans-74-15.217200000112.7D110D110-A112 VanDerWaalsContact C-N 3.27Å; D110-A112 PolarHBondContact O-N 3.02Å
113S36.8Very low53Low70 Ų7088.1 Ų88.149%0.4957%0.57SS.*SBendtrans-97116.4160.328.70000106.9D110 S111 V115D110-S113 PolarHBondContact O-OG 3.27Å; S111-S113 PolarHBondContact O-N 2.92Å; S113-V115 PolarHBondContact O-N 2.97Å
114G36.8Very low50.2Low86 Ų8694.2 Ų94.289%0.88761%0.607SS**  trans-64.653.8178.400000114.3
115V36Very low48.1Very low102 Ų10299 Ų9962%0.61864%0.64SS**  trans-107.4110.6174.9179.40000106.4S113 S117S113-V115 PolarHBondContact O-N 2.97Å; V115-S117 PolarHBondContact O-N 2.92Å
116T36.6Very low46.9Very low127 Ų127100.4 Ų100.478%0.77966%0.659SS**  trans-60.988.4167.1-27.60000107.9T118T116-T118 PolarHBondContact O-N 3.42Å
117S36.4Very low46.5Very low106 Ų106100.5 Ų100.574%0.74167%0.67SS**  trans-70.387.9171.5-76.20000108.7V115V115-S117 PolarHBondContact O-N 2.92Å
118T36.9Very low47Very low113 Ų11398.8 Ų98.869%0.69366%0.661SS**  trans-64.1125.5157.344.60000107.8T116T116-T118 PolarHBondContact O-N 3.42Å
119N44.3Very low48.2Very low154 Ų15497.8 Ų97.882%0.82465%0.649SS**SBendtrans52.477.5159.4-61.1-19.4000117.4
120Q34.2Very low50.3Low182 Ų18295.1 Ų95.185%0.8562%0.621SS**  trans-143.284.5148.1-111.316875.400109.9S122Q120-S122 VanDerWaalsContact C-N 3.31Å; Q120-S122 PolarHBondContact O-N 3.43Å
121S37.1Very low52.7Low115 Ų11588.5 Ų88.580%0.80459%0.586SS**  trans-67.889.4164.350.50000108.9P123S121-P123 WeakPolarHBondContact O-CD 3.44Å
122S30.9Very low55.4Low79 Ų7985.1 Ų85.155%0.55256%0.562SS**  trans-59.4120.1158.1-61.90000107.7Q120 T124Q120-S122 VanDerWaalsContact C-N 3.31Å; Q120-S122 PolarHBondContact O-N 3.43Å; S122-T124 PolarHBondContact O-N 2.95Å
123P33.8Very low58.2Low130 Ų13080.3 Ų80.384%0.84452%0.522SS*.THydrogen-bonded Turntrans-79.928.2-166.630.3-32.2000114.1S121S121-P123 WeakPolarHBondContact O-CD 3.44Å
124T39.6Very low61.1Low129 Ų12977 Ų7779%0.79150%0.498SS*.THydrogen-bonded Turntrans-135.3-5.6-17255.10000116.1S122 S126S122-T124 PolarHBondContact O-N 2.95Å; T124-S126 PolarHBondContact O-N 3.03Å
125S51.3Low64.1Low100 Ų10072.9 Ų72.970%0.69946%0.456SS*.  trans-94.4103.9175.660.70000111
126S67.3Low67Low85 Ų8568.2 Ų68.259%0.59443%0.429SS*.PPolyproline II helixtrans-46.2141.1164.160.60000110.1T124T124-S126 PolarHBondContact O-N 3.03Å
127A83.3Confident69.9Low53 Ų5364.1 Ų64.144%0.43840%0.402SS..PPolyproline II helixtrans-49.9139.7176.400000110.9T199A127-T199 HydrophobicContact CB-CG2 4.18Å
128P91.2Very high72.7Confident45 Ų4560.3 Ų60.329%0.29238%0.377SS..PPolyproline II helixtrans-51.4136.4177.6-26.634.1000110.9Y106 T199Y106-P128 HydrophobicContact CD1-CB 4.38Å; Y106-P128 HydrophobicContact CD1-CG 4.14Å; P128-T199 WeakPolarHBondContact O-CB 3.14Å; P128-T199 VanDerWaalsContact O-CG2 3.3Å; P128-T199 WeakPolarHBondContact O-CG2 3.5Å
129P95.4Very high75.4Confident6 Ų655 Ų554%0.03935%0.345CS..PPolyproline II helixtrans-61.5155.217526.5-32.6000110.3A157 N158 K200 M329P129-A157 HydrophobicContact CG-CB 3.96Å; P129-A157 CarbonylContact O-C 3.25Å; P129-A157 VanDerWaalsContact O-CA 3.31Å; P129-A157 WeakPolarHBondContact O-CA 3.28Å; P129-A157 WeakPolarHBondContact O-CB 3.5Å; P129-N158 PolarHBondContact O-N 3.48Å; P129-K200 WeakPolarHBondContact CA-O 3.16Å; P129-K200 HydrophobicContact CB-CB 4.35Å; P129-K200 WeakPolarHBondContact CB-O 3.17Å; P129-M329 HydrophobicContact CB-CE 3.9Å; P129-M329 HydrophobicContact CG-CE 3.52Å
130T97.9Very high77.9Confident0 Ų047.7 Ų47.70%031%0.306CS..EExtended strand (participates in β ladder)trans-112.1121.9177.8-610000109.8N158 V160 V190 T199 K200 V201 V202T130-N158 HydrophobicContact CG2-CB 4.22Å; T130-V160 HydrophobicContact CG2-CG2 3.93Å; T130-V190 HydrophobicContact CG2-CG1 3.98Å; T130-V190 HydrophobicContact CG2-CG2 4.26Å; T130-T199 VanDerWaalsContact CB-OG1 3.31Å; T130-T199 WeakPolarHBondContact CB-OG1 3.35Å; T130-T199 WeakPolarHBondContact OG1-CB 3.31Å; T130-T199 PolarHBondContact OG1-OG1 2.85Å; T130-K200 PolarHBondContact N-O 3.12Å; T130-V201 WeakPolarHBondContact O-CA 3.39Å; T130-V202 PolarHBondContact O-N 3.28Å
131I98.8Very high80.8Confident0 Ų039.1 Ų39.10%027%0.266CS..EExtended strand (participates in β ladder)trans-94.4120.8177.8-59.6178.1000109M151 L155 A157 N158 V159 V160 V202 F204I131-M151 HydrophobicContact CD1-CE 3.88Å; I131-M151 HydrophobicContact CG2-CE 4Å; I131-L155 HydrophobicContact CD1-CB 4.45Å; I131-L155 HydrophobicContact CD1-CD1 3.68Å; I131-A157 HydrophobicContact CD1-CB 3.75Å; I131-A157 HydrophobicContact CG1-CB 3.94Å; I131-N158 PolarHBondContact N-O 3.32Å; I131-V159 HydrophobicContact CB-CG2 4.43Å; I131-V159 WeakPolarHBondContact O-CA 3.47Å; I131-V160 PolarHBondContact O-N 3.48Å; I131-V202 CarbonylContact C-O 3.5Å; I131-V202 VanDerWaalsContact CA-O 3.25Å; I131-V202 WeakPolarHBondContact CA-O 3.18Å; I131-V202 HydrophobicContact CG1-CB 4.34Å; I131-F204 HydrophobicContact CG2-CB 3.63Å
132L98.9Very high83.5Confident0 Ų033.8 Ų33.80%023%0.229CC..EExtended strand (participates in β ladder)trans-86.8114166.3-59.2-171.4000108.7F134 V160 T186 L187 V190 V201 V202 L203 F204 L216L132-F134 HydrophobicContact CB-CE2 3.94Å; L132-F134 HydrophobicContact CB-CZ 4.08Å; L132-F134 HydrophobicContact CD1-CZ 4.32Å; L132-V160 HydrophobicContact CD2-CB 3.78Å; L132-V160 HydrophobicContact CD2-CG1 4.17Å; L132-V160 HydrophobicContact CD2-CG2 4.24Å; L132-T186 HydrophobicContact CD1-CG2 4.31Å; L132-T186 HydrophobicContact CD2-CG2 3.92Å; L132-L187 HydrophobicContact CD1-CB 4.13Å; L132-L187 HydrophobicContact CD1-CD1 4.11Å; L132-V190 HydrophobicContact CD2-CB 4.43Å; L132-V190 HydrophobicContact CD2-CG2 3.6Å; L132-V201 HydrophobicContact CD1-CG1 3.95Å; L132-V201 HydrophobicContact CG-CG1 3.92Å; L132-V202 PolarHBondContact N-O 3.49Å; L132-L203 HydrophobicContact CB-CD2 3.92Å; L132-L203 HydrophobicContact CD1-CD2 3.74Å; L132-L203 HydrophobicContact CG-CD2 4.07Å; L132-F204 PolarHBondContact O-N 3.47Å; L132-F204 VanDerWaalsContact O-O 3.08Å; L132-L216 HydrophobicContact CD1-CD2 4.42Å
133Y98.8Very high86.6Confident4 Ų432.9 Ų32.92%0.01622%0.216CC..EExtended strand (participates in β ladder)trans-95.9109.5-177.5-167.4-58.8000110.4H135 R144 N147 A148 M151 V159 V160 L161 F204Y133-H135 HydrophobicContact CD1-CB 4.43Å; Y133-H135 HydrophobicContact CE1-CB 4.13Å; Y133-R144 HydrophobicContact CE1-CB 4.03Å; Y133-R144 HydrophobicContact CE1-CG 4.15Å; Y133-N147 PolarHBondContact OH-ND2 3.08Å; Y133-N147 VanDerWaalsContact OH-ND2 3.07Å; Y133-A148 HydrophobicContact CD2-CB 4.38Å; Y133-M151 HydrophobicContact CD2-SD 3.82Å; Y133-M151 HydrophobicContact CE2-SD 3.78Å; Y133-V159 HydrophobicContact CD2-CG1 4.43Å; Y133-V160 PolarHBondContact N-O 3.01Å; Y133-L161 HydrophobicContact CG-CD2 4.45Å; Y133-L161 HydrophobicContact CG-CG 4.45Å; Y133-F204 HydrophobicContact CD1-CD1 4.18Å; Y133-F204 AromaticContact CD2-CD1 3.64Å; Y133-F204 HydrophobicContact CD2-CD1 3.64Å; Y133-F204 HydrophobicContact CD2-CE1 4.05Å; Y133-F204 HydrophobicContact CE1-CD1 4.15Å; Y133-F204 HydrophobicContact CE1-CE1 4.01Å; Y133-F204 AromaticContact CE2-CD1 3.63Å; Y133-F204 HydrophobicContact CE2-CD1 3.63Å; Y133-F204 AromaticContact CE2-CE1 3.51Å; Y133-F204 HydrophobicContact CE2-CE1 3.51Å; Y133-F204 HydrophobicContact CE2-CZ 4.48Å; Y133-F204 AromaticContact CG-CD1 3.92Å; Y133-F204 HydrophobicContact CG-CD1 3.92Å; Y133-F204 AromaticContact CZ-CD1 3.88Å; Y133-F204 AromaticContact CZ-CE1 3.48Å; Y133-F204 VanDerWaalsContact CZ-CE1 3.48Å
134F98.8Very high89.6Confident0 Ų028.5 Ų28.50%018%0.183CC..EExtended strand (participates in β ladder)trans-99.6109.7174.9-65.8-58.3000110.3L132 V162 Y164 A183 L203 F204 G205 R206 G209 V212 A213 L216L132-F134 HydrophobicContact CB-CE2 3.94Å; L132-F134 HydrophobicContact CB-CZ 4.08Å; L132-F134 HydrophobicContact CD1-CZ 4.32Å; F134-V162 HydrophobicContact CD1-CG1 3.69Å; F134-V162 HydrophobicContact CE1-CG1 3.77Å; F134-Y164 WeakPolarHBondContact CA-OH 3.42Å; F134-Y164 VanDerWaalsContact CB-OH 3.25Å; F134-Y164 WeakPolarHBondContact CB-OH 3.47Å; F134-Y164 AromaticContact CD1-CE1 3.99Å; F134-Y164 HydrophobicContact CD1-CE1 3.99Å; F134-A183 HydrophobicContact CE1-CB 3.69Å; F134-A183 HydrophobicContact CZ-CB 3.72Å; F134-L203 HydrophobicContact CE2-CD2 4.12Å; F134-F204 PolarHBondContact N-O 3.03Å; F134-G205 WeakPolarHBondContact O-CA 3.46Å; F134-R206 PolarHBondContact O-N 2.63Å; F134-G209 WeakPolarHBondContact CB-O 3.46Å; F134-V212 HydrophobicContact CD1-CG1 4.21Å; F134-V212 HydrophobicContact CG-CG1 4.35Å; F134-A213 HydrophobicContact CD2-CB 3.86Å; F134-A213 HydrophobicContact CE2-CB 4.49Å; F134-L216 HydrophobicContact CE2-CD2 3.8Å; F134-L216 HydrophobicContact CZ-CD2 3.69Å
135H98.1Very high92.2Very high1 Ų122.8 Ų22.81%0.00515%0.148CC..  trans-78.4171.2-176.771.674.9000113Y133 R144 V162 Y164 Y167 G209Y133-H135 HydrophobicContact CD1-CB 4.43Å; Y133-H135 HydrophobicContact CE1-CB 4.13Å; H135-R144 HydrophobicContact CB-CG 3.85Å; H135-V162 PolarHBondContact CD2-O 3.22Å; H135-V162 PolarHBondContact NE2-O 3.22Å; H135-Y164 AromaticContact CE1-CD2 3.39Å; H135-Y164 WeakPolarHBondContact CE1-CD2 3.41Å; H135-Y164 AromaticContact CE1-CE2 3.58Å; H135-Y164 AromaticContact CG-CE2 3.95Å; H135-Y164 PolarHBondContact N-OH 3.41Å; H135-Y164 AromaticContact ND1-CD2 3.96Å; H135-Y164 AromaticContact ND1-CE2 3.66Å; H135-Y164 AromaticContact NE2-CD2 3.56Å; H135-Y164 AromaticContact NE2-CE2 3.81Å; H135-Y164 VanDerWaalsContact O-CE2 3.26Å; H135-Y164 WeakPolarHBondContact O-CE2 3.48Å; H135-Y164 PolarHBondContact O-OH 3.1Å; H135-Y167 AromaticContact CE1-CD1 3.57Å; H135-Y167 AromaticContact CE1-CG 3.91Å; H135-G209 WeakPolarHBondContact O-CA 3.39Å; H135-G209 PolarHBondContact O-N 3.3Å
136G97.4Very high94.3Very high4 Ų421.3 Ų21.34%0.04114%0.135CC..  trans-75-167177.900000113.8A138 R206G136-A138 VanDerWaalsContact C-N 3.3Å; G136-A138 PolarHBondContact O-N 3.1Å; G136-R206 WeakPolarHBondContact CA-O 3.49Å
137N97.1Very high95.8Very high41 Ų4117.4 Ų17.422%0.21911%0.108CC..SBendtrans-811.3-174.670-29000115.9L65 F67 Y167 L208L65-N137 WeakPolarHBondContact O-CB 3.26Å; L65-N137 PolarHBondContact O-ND2 3.02Å; F67-N137 CarbonylContact C-O 3.58Å; F67-N137 WeakPolarHBondContact CA-O 3.5Å; F67-N137 WeakPolarHBondContact CD2-ND2 3.4Å; F67-N137 PolarHBondContact N-O 2.66Å; N137-Y167 WeakPolarHBondContact O-CE1 3.44Å; N137-Y167 PolarHBondContact O-OH 2.99Å; N137-L208 HydrophobicContact CB-CB 4.13Å; N137-L208 HydrophobicContact CB-CD2 3.74Å
138A95.5Very high96.4Very high26 Ų2614.9 Ų14.922%0.2159%0.087CC..BIsolated β-bridgetrans-135.5155.5-179.200000111.5F67 Q70 G136 R144F67-A138 HydrophobicContact CB-CB 3.96Å; F67-A138 WeakPolarHBondContact O-CA 3.25Å; Q70-A138 HydrophobicContact CB-CB 4.44Å; G136-A138 VanDerWaalsContact C-N 3.3Å; G136-A138 PolarHBondContact O-N 3.1Å; A138-R144 PolarHBondContact O-NH2 3.31Å
139G93.8Very high96.6Very high2 Ų214.2 Ų14.22%0.0218%0.081CC..SBendtrans86.4-151.8177.900000113.4Q70 S74 H143 Y167Q70-G139 WeakPolarHBondContact O-CA 3.45Å; Q70-G139 PolarHBondContact O-N 3.3Å; S74-G139 WeakPolarHBondContact OG-CA 3.46Å; S74-G139 PolarHBondContact OG-O 2.66Å; S74-G139 VanDerWaalsContact OG-O 3.07Å; G139-H143 VanDerWaalsContact CA-ND1 3.34Å; G139-H143 WeakPolarHBondContact CA-ND1 3.46Å; G139-Y167 WeakPolarHBondContact O-CD1 3.5Å
140N96.1Very high96.6Very high0 Ų017.1 Ų17.10%010%0.096CC..  trans-151.1175.2178.260.548.2000108.8S74 Y77 V78 G142 H143 D163S74-N140 WeakPolarHBondContact CA-ND2 3.5Å; S74-N140 PolarHBondContact O-ND2 2.66Å; S74-N140 PolarHBondContact OG-ND2 2.88Å; Y77-N140 PolarHBondContact O-ND2 2.8Å; V78-N140 HydrophobicContact CG2-CB 4.24Å; N140-G142 PolarHBondContact O-N 2.9Å; N140-G142 WeakPolarHBondContact OD1-CA 3.36Å; N140-G142 PolarHBondContact OD1-N 3.41Å; N140-H143 PolarHBondContact N-ND1 3.13Å; N140-H143 PolarHBondContact ND2-CE1 2.85Å; N140-H143 PolarHBondContact O-N 3.09Å; N140-H143 VanDerWaalsContact O-N 3.15Å; N140-H143 PolarHBondContact OD1-N 2.82Å; N140-H143 VanDerWaalsContact OD1-N 3.17Å; N140-D163 WeakPolarHBondContact CA-OD1 3.44Å; N140-D163 WeakPolarHBondContact CB-OD1 3.25Å
141I95.6Very high96.5Very high1 Ų117.1 Ų17.11%0.00510%0.096CC..G310 helixtrans-56-34.1178.957.6-175.5000113.7V78 N100 I102 H143 R144 V145 L161 V162 D163V78-I141 HydrophobicContact CG1-CD1 4.38Å; V78-I141 HydrophobicContact CG1-CG1 3.66Å; N100-I141 WeakPolarHBondContact ND2-CD1 3.12Å; I102-I141 HydrophobicContact CB-CD1 4.25Å; I102-I141 HydrophobicContact CD1-CB 4.46Å; I102-I141 HydrophobicContact CD1-CD1 3.43Å; I102-I141 VanDerWaalsContact CD1-CD1 3.43Å; I102-I141 HydrophobicContact CD1-CG1 3.76Å; I102-I141 HydrophobicContact CG1-CD1 3.53Å; I102-I141 HydrophobicContact CG1-CG1 4.38Å; I141-H143 VanDerWaalsContact C-N 3.29Å; I141-H143 PolarHBondContact O-N 2.82Å; I141-R144 WeakPolarHBondContact O-CA 3.44Å; I141-R144 WeakPolarHBondContact O-CB 3.19Å; I141-R144 PolarHBondContact O-N 3Å; I141-V145 PolarHBondContact O-N 2.81Å; I141-V145 VanDerWaalsContact O-N 3.16Å; I141-L161 HydrophobicContact CB-CB 4.07Å; I141-L161 HydrophobicContact CG2-CB 3.82Å; I141-V162 VanDerWaalsContact CG2-O 3.3Å; I141-V162 WeakPolarHBondContact CG2-O 3.43Å; I141-D163 WeakPolarHBondContact CD1-OD2 3.31Å; I141-D163 WeakPolarHBondContact CG1-OD2 3.36Å; I141-D163 HydrophobicContact CG2-CB 4.2Å; I141-D163 WeakPolarHBondContact CG2-OD1 3.47Å; I141-D163 PolarHBondContact N-OD1 2.95Å
142G94.9Very high96.4Very high4 Ų417.9 Ų17.94%0.04110%0.1CC..G310 helixtrans-63.2-36.5-179.800000112.5P79 N140 R144 V145P79-G142 WeakPolarHBondContact O-CA 3.43Å; N140-G142 PolarHBondContact O-N 2.9Å; N140-G142 WeakPolarHBondContact OD1-CA 3.36Å; N140-G142 PolarHBondContact OD1-N 3.41Å; G142-R144 PolarHBondContact O-N 3.47Å; G142-V145 WeakPolarHBondContact O-CB 3.31Å; G142-V145 PolarHBondContact O-N 2.84Å
143H95.3Very high96.1Very high60 Ų6022.9 Ų22.928%0.27813%0.125SC..G310 helixtrans-67.7-14.3173.3-54.2150000113.3G139 N140 I141G139-H143 VanDerWaalsContact CA-ND1 3.34Å; G139-H143 WeakPolarHBondContact CA-ND1 3.46Å; N140-H143 PolarHBondContact N-ND1 3.13Å; N140-H143 PolarHBondContact ND2-CE1 2.85Å; N140-H143 PolarHBondContact O-N 3.09Å; N140-H143 VanDerWaalsContact O-N 3.15Å; N140-H143 PolarHBondContact OD1-N 2.82Å; N140-H143 VanDerWaalsContact OD1-N 3.17Å; I141-H143 VanDerWaalsContact C-N 3.29Å; I141-H143 PolarHBondContact O-N 2.82Å
144R96.1Very high95.9Very high38 Ų3825.5 Ų25.514%0.14314%0.14CC..G310 helixtrans-102.3-12.1-178.6-49.4-52.1170.5-172.81.7113.1Y133 H135 A138 I141 G142 N147 A148 L161Y133-R144 HydrophobicContact CE1-CB 4.03Å; Y133-R144 HydrophobicContact CE1-CG 4.15Å; H135-R144 HydrophobicContact CB-CG 3.85Å; A138-R144 PolarHBondContact O-NH2 3.31Å; I141-R144 WeakPolarHBondContact O-CA 3.44Å; I141-R144 WeakPolarHBondContact O-CB 3.19Å; I141-R144 PolarHBondContact O-N 3Å; G142-R144 PolarHBondContact O-N 3.47Å; R144-N147 PolarHBondContact O-N 3.25Å; R144-A148 PolarHBondContact O-N 3.33Å; R144-L161 HydrophobicContact CB-CD2 3.74Å
145V95.7Very high95.7Very high9 Ų926 Ų266%0.05514%0.143CC..Hα-helixtrans-50.2-46.6177.3169.20000112.6P81 I141 G142 N147 A148 L149P81-V145 HydrophobicContact CB-CG1 3.73Å; P81-V145 HydrophobicContact CG-CG1 3.96Å; P81-V145 HydrophobicContact CG-CG2 4.28Å; I141-V145 PolarHBondContact O-N 2.81Å; I141-V145 VanDerWaalsContact O-N 3.16Å; G142-V145 WeakPolarHBondContact O-CB 3.31Å; G142-V145 PolarHBondContact O-N 2.84Å; V145-N147 PolarHBondContact O-N 2.81Å; V145-A148 PolarHBondContact O-N 2.83Å; V145-A148 VanDerWaalsContact O-N 3.17Å; V145-L149 HydrophobicContact CG1-CD1 3.7Å; V145-L149 HydrophobicContact CG1-CG 4.02Å; V145-L149 VanDerWaalsContact O-CG 3.25Å; V145-L149 WeakPolarHBondContact O-CG 3.4Å; V145-L149 PolarHBondContact O-N 2.77Å
146P95.6Very high95.6Very high68 Ų6831.5 Ų31.544%0.44217%0.166SC..Hα-helixtrans-57.6-44-179.8-27.236.4000113.8L149 L150 W316P146-L149 PolarHBondContact O-N 2.95Å; P146-L150 PolarHBondContact O-N 3.18Å; P146-W316 HydrophobicContact CB-CH2 4.17Å
147N96.8Very high95.5Very high4 Ų431.3 Ų31.32%0.02116%0.164CC..Hα-helixtrans-67.2-46176.2-177.4-2.3000110.7Y133 R144 V145 L149 L150 M151 R206 W316Y133-N147 PolarHBondContact OH-ND2 3.08Å; Y133-N147 VanDerWaalsContact OH-ND2 3.07Å; R144-N147 PolarHBondContact O-N 3.25Å; V145-N147 PolarHBondContact O-N 2.81Å; N147-L149 VanDerWaalsContact C-N 3.25Å; N147-L149 PolarHBondContact O-N 3.47Å; N147-L150 PolarHBondContact O-N 3.42Å; N147-L150 VanDerWaalsContact O-N 3.1Å; N147-M151 WeakPolarHBondContact O-CG 3.42Å; N147-M151 PolarHBondContact O-N 3.43Å; N147-R206 PolarHBondContact ND2-NH2 3.13Å; N147-W316 HydrophobicContact CB-CD2 3.93Å; N147-W316 HydrophobicContact CB-CE3 3.85Å; N147-W316 HydrophobicContact CB-CG 4.47Å; N147-W316 HydrophobicContact CB-CH2 4.49Å; N147-W316 HydrophobicContact CB-CZ3 4.15Å
148A96.9Very high95.4Very high0 Ų029.9 Ų29.90%016%0.157CC..Hα-helixtrans-60.2-33.4178.500000113.4L104 Y133 R144 V145 M151 L152 V159 L161L104-A148 HydrophobicContact CD1-CB 3.83Å; Y133-A148 HydrophobicContact CD2-CB 4.38Å; R144-A148 PolarHBondContact O-N 3.33Å; V145-A148 PolarHBondContact O-N 2.83Å; V145-A148 VanDerWaalsContact O-N 3.17Å; A148-M151 PolarHBondContact O-N 3.13Å; A148-L152 WeakPolarHBondContact O-CB 3.43Å; A148-L152 PolarHBondContact O-N 2.84Å; A148-V159 HydrophobicContact CB-CB 4.5Å; A148-V159 HydrophobicContact CB-CG1 3.84Å; A148-L161 HydrophobicContact CB-CD1 3.86Å; A148-L161 HydrophobicContact CB-CD2 3.78Å; A148-L161 HydrophobicContact CB-CG 4.11Å
149L95.4Very high95.6Very high30 Ų3028.7 Ų28.716%0.15715%0.147CC..Hα-helixtrans-67.5-42.7173.9-71.1171.9000112.3I84 L104 V145 P146 N147 M151 L152 I153I84-L149 HydrophobicContact CB-CD2 4.48Å; I84-L149 HydrophobicContact CD1-CD1 3.31Å; I84-L149 HydrophobicContact CD1-CD2 3.38Å; I84-L149 HydrophobicContact CD1-CG 3.95Å; I84-L149 HydrophobicContact CG1-CD2 4.44Å; I84-L149 HydrophobicContact CG2-CD2 3.83Å; L104-L149 HydrophobicContact CD1-CD2 3.99Å; L104-L149 HydrophobicContact CD1-CG 4.4Å; V145-L149 HydrophobicContact CG1-CD1 3.7Å; V145-L149 HydrophobicContact CG1-CG 4.02Å; V145-L149 VanDerWaalsContact O-CG 3.25Å; V145-L149 WeakPolarHBondContact O-CG 3.4Å; V145-L149 PolarHBondContact O-N 2.77Å; P146-L149 PolarHBondContact O-N 2.95Å; N147-L149 VanDerWaalsContact C-N 3.25Å; N147-L149 PolarHBondContact O-N 3.47Å; L149-M151 VanDerWaalsContact C-N 3.3Å; L149-M151 PolarHBondContact O-N 3.44Å; L149-L152 WeakPolarHBondContact O-CB 3.32Å; L149-L152 PolarHBondContact O-N 3.27Å; L149-I153 WeakPolarHBondContact O-CG1 3.29Å; L149-I153 PolarHBondContact O-N 2.89Å
150L95.7Very high95.8Very high68 Ų6828.6 Ų28.636%0.35615%0.146SC..Hα-helixtrans-64.5-37.6173.5-65.4-174.9000111.3P146 N147 I153 N154 W316 F322P146-L150 PolarHBondContact O-N 3.18Å; N147-L150 PolarHBondContact O-N 3.42Å; N147-L150 VanDerWaalsContact O-N 3.1Å; L150-I153 PolarHBondContact O-N 2.92Å; L150-N154 VanDerWaalsContact O-CB 3.29Å; L150-N154 WeakPolarHBondContact O-CB 3.47Å; L150-N154 PolarHBondContact O-N 3.16Å; L150-N154 PolarHBondContact O-ND2 3.44Å; L150-W316 HydrophobicContact CD1-CE3 3.96Å; L150-W316 HydrophobicContact CD1-CZ3 3.6Å; L150-F322 HydrophobicContact CB-CD2 4.5Å; L150-F322 HydrophobicContact CB-CE1 3.7Å; L150-F322 HydrophobicContact CB-CE2 3.67Å; L150-F322 HydrophobicContact CB-CZ 3.21Å; L150-F322 HydrophobicContact CD1-CE2 3.52Å; L150-F322 HydrophobicContact CD1-CZ 3.82Å; L150-F322 HydrophobicContact CG-CE2 4.24Å; L150-F322 HydrophobicContact CG-CZ 4.18Å
151M96.3Very high95.9Very high0 Ų028.6 Ų28.60%015%0.146CC..Hα-helixtrans-62.3-45.3172.3-67.4-177.482.700111.5I131 Y133 N147 A148 L149 I153 L155 V159 F204 F322 L325I131-M151 HydrophobicContact CD1-CE 3.88Å; I131-M151 HydrophobicContact CG2-CE 4Å; Y133-M151 HydrophobicContact CD2-SD 3.82Å; Y133-M151 HydrophobicContact CE2-SD 3.78Å; N147-M151 WeakPolarHBondContact O-CG 3.42Å; N147-M151 PolarHBondContact O-N 3.43Å; A148-M151 PolarHBondContact O-N 3.13Å; L149-M151 VanDerWaalsContact C-N 3.3Å; L149-M151 PolarHBondContact O-N 3.44Å; M151-I153 VanDerWaalsContact C-N 3.33Å; M151-I153 PolarHBondContact O-N 2.87Å; M151-L155 HydrophobicContact CB-CD1 4.12Å; M151-L155 HydrophobicContact CE-CD1 3.94Å; M151-L155 HydrophobicContact CG-CD1 4.32Å; M151-L155 WeakPolarHBondContact O-CA 3.36Å; M151-L155 WeakPolarHBondContact O-CB 3.48Å; M151-L155 VanDerWaalsContact O-CG 3.32Å; M151-L155 WeakPolarHBondContact O-CG 3.35Å; M151-L155 PolarHBondContact O-N 2.96Å; M151-V159 HydrophobicContact CB-CG2 4.31Å; M151-F204 HydrophobicContact CE-CB 4Å; M151-F204 HydrophobicContact CE-CD1 4.36Å; M151-F204 HydrophobicContact CE-CD2 3.53Å; M151-F204 HydrophobicContact CE-CE2 4.1Å; M151-F204 HydrophobicContact CE-CG 3.68Å; M151-F204 HydrophobicContact SD-CD1 4.34Å; M151-F204 HydrophobicContact SD-CD2 4.33Å; M151-F204 HydrophobicContact SD-CG 4.25Å; M151-F322 HydrophobicContact CG-CE1 3.91Å; M151-L325 HydrophobicContact CE-CD2 4.29Å
152L95Very high96Very high16 Ų1628.6 Ų28.68%0.08415%0.146CC..Hα-helixtrans-57.8-45.5178.5178.3146.6000111.9L104 Y106 A148 L149 K156 A157 V159L104-L152 HydrophobicContact CB-CD1 3.45Å; L104-L152 VanDerWaalsContact CB-CD1 3.45Å; Y106-L152 HydrophobicContact CD2-CD2 4.07Å; Y106-L152 HydrophobicContact CD2-CG 4.38Å; Y106-L152 WeakPolarHBondContact CD2-O 3.36Å; A148-L152 WeakPolarHBondContact O-CB 3.43Å; A148-L152 PolarHBondContact O-N 2.84Å; L149-L152 WeakPolarHBondContact O-CB 3.32Å; L149-L152 PolarHBondContact O-N 3.27Å; L152-K156 WeakPolarHBondContact O-CA 3.39Å; L152-K156 PolarHBondContact O-N 3.4Å; L152-K156 VanDerWaalsContact O-N 3.16Å; L152-A157 WeakPolarHBondContact CA-O 3.3Å; L152-A157 PolarHBondContact O-N 3.38Å; L152-V159 HydrophobicContact CB-CG2 4.06Å
153I93.5Very high96.2Very high104 Ų10428.4 Ų28.453%0.53314%0.144SC..Hα-helixtrans-74.3-52.3-177.2-64.9166.2000111.2L149 L150 M151L149-I153 WeakPolarHBondContact O-CG1 3.29Å; L149-I153 PolarHBondContact O-N 2.89Å; L150-I153 PolarHBondContact O-N 2.92Å; M151-I153 VanDerWaalsContact C-N 3.33Å; M151-I153 PolarHBondContact O-N 2.87Å
154N94.6Very high96.3Very high60 Ų6025.6 Ų25.632%0.32113%0.131SC..Hα-helixtrans-74.7-33-173-69.3-80.3000112.5L150 F322L150-N154 VanDerWaalsContact O-CB 3.29Å; L150-N154 WeakPolarHBondContact O-CB 3.47Å; L150-N154 PolarHBondContact O-N 3.16Å; L150-N154 PolarHBondContact O-ND2 3.44Å; N154-F322 HydrophobicContact CB-CB 3.93Å; N154-F322 HydrophobicContact CB-CD1 3.85Å; N154-F322 HydrophobicContact CB-CG 4.06Å
155L95.4Very high96.5Very high11 Ų1124.4 Ų24.46%0.05813%0.126CC..Hα-helixtrans-97.4-4.3-178.1-46.5-179.5000113I131 M151 A157 L325 E326 M329I131-L155 HydrophobicContact CD1-CB 4.45Å; I131-L155 HydrophobicContact CD1-CD1 3.68Å; M151-L155 HydrophobicContact CB-CD1 4.12Å; M151-L155 HydrophobicContact CE-CD1 3.94Å; M151-L155 HydrophobicContact CG-CD1 4.32Å; M151-L155 WeakPolarHBondContact O-CA 3.36Å; M151-L155 WeakPolarHBondContact O-CB 3.48Å; M151-L155 VanDerWaalsContact O-CG 3.32Å; M151-L155 WeakPolarHBondContact O-CG 3.35Å; M151-L155 PolarHBondContact O-N 2.96Å; L155-A157 VanDerWaalsContact C-N 3.25Å; L155-A157 HydrophobicContact CB-CB 4.26Å; L155-A157 PolarHBondContact O-N 2.89Å; L155-L325 HydrophobicContact CD1-CB 4.26Å; L155-L325 HydrophobicContact CD1-CD2 4.15Å; L155-L325 HydrophobicContact CD2-CB 3.67Å; L155-E326 HydrophobicContact CD2-CB 4.08Å; L155-M329 HydrophobicContact CB-CG 4.49Å; L155-M329 HydrophobicContact CD1-CG 4.49Å; L155-M329 HydrophobicContact CD2-CG 4.34Å
156K94.2Very high96.5Very high116 Ų11624.2 Ų24.250%0.50413%0.126SC..THydrogen-bonded Turntrans50.947.6-179.7-55.6-176.3-176.8-179.20111.7Y106 L152Y106-K156 HydrophobicContact CD1-CB 4.19Å; Y106-K156 HydrophobicContact CE1-CB 3.72Å; Y106-K156 HydrophobicContact CE1-CG 4.26Å; Y106-K156 HydrophobicContact CE2-CB 4.09Å; Y106-K156 HydrophobicContact CE2-CG 4.12Å; L152-K156 WeakPolarHBondContact O-CA 3.39Å; L152-K156 PolarHBondContact O-N 3.4Å; L152-K156 VanDerWaalsContact O-N 3.16Å
157A95.3Very high96.7Very high0 Ų021 Ų210%011%0.105CC..  trans-128.8148.6-169.800000111P129 I131 L152 L155P129-A157 HydrophobicContact CG-CB 3.96Å; P129-A157 CarbonylContact O-C 3.25Å; P129-A157 VanDerWaalsContact O-CA 3.31Å; P129-A157 WeakPolarHBondContact O-CA 3.28Å; P129-A157 WeakPolarHBondContact O-CB 3.5Å; I131-A157 HydrophobicContact CD1-CB 3.75Å; I131-A157 HydrophobicContact CG1-CB 3.94Å; L152-A157 WeakPolarHBondContact CA-O 3.3Å; L152-A157 PolarHBondContact O-N 3.38Å; L155-A157 VanDerWaalsContact C-N 3.25Å; L155-A157 HydrophobicContact CB-CB 4.26Å; L155-A157 PolarHBondContact O-N 2.89Å
158N96.6Very high96.6Very high11 Ų1120.8 Ų20.86%0.05910%0.104CC..EExtended strand (participates in β ladder)trans-67.8147.7164.2-57.5-50.1000108.8L103 L104 R105 Y106 P129 T130 I131L103-N158 HydrophobicContact CD1-CB 4.48Å; L104-N158 WeakPolarHBondContact O-CA 3.44Å; R105-N158 WeakPolarHBondContact CA-OD1 3.38Å; Y106-N158 PolarHBondContact N-OD1 2.81Å; P129-N158 PolarHBondContact O-N 3.48Å; T130-N158 HydrophobicContact CG2-CB 4.22Å; I131-N158 PolarHBondContact N-O 3.32Å
159V98.2Very high96.6Very high0 Ų025 Ų250%012%0.122CC..EExtended strand (participates in β ladder)trans-129.1121176.5-171.40000109.6L104 I131 Y133 A148 M151 L152 L161L104-V159 HydrophobicContact CB-CB 4.38Å; L104-V159 PolarHBondContact N-O 2.91Å; L104-V159 PolarHBondContact O-N 2.98Å; I131-V159 HydrophobicContact CB-CG2 4.43Å; I131-V159 WeakPolarHBondContact O-CA 3.47Å; Y133-V159 HydrophobicContact CD2-CG1 4.43Å; A148-V159 HydrophobicContact CB-CB 4.5Å; A148-V159 HydrophobicContact CB-CG1 3.84Å; M151-V159 HydrophobicContact CB-CG2 4.31Å; L152-V159 HydrophobicContact CB-CG2 4.06Å; V159-L161 HydrophobicContact CG1-CD1 4.15Å; V159-L161 HydrophobicContact CG1-CG 4.36Å
160V98.6Very high96.8Very high0 Ų023.6 Ų23.60%012%0.116CC..EExtended strand (participates in β ladder)trans-105.6110.9173.6178.40000107.6L101 I102 L103 T130 I131 L132 Y133 T186 V190L101-V160 HydrophobicContact CD2-CG1 3.82Å; L101-V160 HydrophobicContact CG-CG1 4.34Å; I102-V160 WeakPolarHBondContact O-CA 3.49Å; L103-V160 HydrophobicContact CD1-CG2 3.73Å; T130-V160 HydrophobicContact CG2-CG2 3.93Å; I131-V160 PolarHBondContact O-N 3.48Å; L132-V160 HydrophobicContact CD2-CB 3.78Å; L132-V160 HydrophobicContact CD2-CG1 4.17Å; L132-V160 HydrophobicContact CD2-CG2 4.24Å; Y133-V160 PolarHBondContact N-O 3.01Å; V160-T186 HydrophobicContact CG1-CG2 3.98Å; V160-V190 HydrophobicContact CG2-CG2 3.84Å
161L98.5Very high96.9Very high1 Ų124.8 Ų24.81%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-93.2143.7171.6-55.595.3000109.5L101 I102 L104 Y133 I141 R144 A148 V159L101-L161 CarbonylContact C-O 3.44Å; L101-L161 WeakPolarHBondContact CA-O 3.41Å; L101-L161 WeakPolarHBondContact CB-O 3.16Å; I102-L161 HydrophobicContact CB-CD1 4.28Å; I102-L161 HydrophobicContact CG2-CD1 4.2Å; I102-L161 PolarHBondContact N-O 2.81Å; I102-L161 PolarHBondContact O-N 3Å; L104-L161 HydrophobicContact CD1-CD1 3.79Å; L104-L161 HydrophobicContact CG-CD1 3.98Å; Y133-L161 HydrophobicContact CG-CD2 4.45Å; Y133-L161 HydrophobicContact CG-CG 4.45Å; I141-L161 HydrophobicContact CB-CB 4.07Å; I141-L161 HydrophobicContact CG2-CB 3.82Å; R144-L161 HydrophobicContact CB-CD2 3.74Å; A148-L161 HydrophobicContact CB-CD1 3.86Å; A148-L161 HydrophobicContact CB-CD2 3.78Å; A148-L161 HydrophobicContact CB-CG 4.11Å; V159-L161 HydrophobicContact CG1-CD1 4.15Å; V159-L161 HydrophobicContact CG1-CG 4.36Å
162V98.3Very high96.9Very high1 Ų126.9 Ų26.91%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-127.3131.1177.156.20000110.6L99 L101 F134 H135 I141 T186L99-V162 HydrophobicContact CD1-CG2 4.41Å; L101-V162 HydrophobicContact CD1-CB 4.3Å; L101-V162 HydrophobicContact CD1-CG2 3.86Å; L101-V162 HydrophobicContact CG-CB 4.15Å; L101-V162 HydrophobicContact CG-CG2 4.27Å; F134-V162 HydrophobicContact CD1-CG1 3.69Å; F134-V162 HydrophobicContact CE1-CG1 3.77Å; H135-V162 PolarHBondContact CD2-O 3.22Å; H135-V162 PolarHBondContact NE2-O 3.22Å; I141-V162 VanDerWaalsContact CG2-O 3.3Å; I141-V162 WeakPolarHBondContact CG2-O 3.43Å; V162-T186 HydrophobicContact CB-CG2 4.38Å; V162-T186 HydrophobicContact CG1-CG2 4.47Å
163D98.1Very high97Very high0 Ų033.9 Ų33.90%017%0.173CC..EExtended strand (participates in β ladder)trans-80120161.7-82.7-39.3000106.7N100 N140 I141 G168 K169 S170N100-D163 HydrophobicContact CB-CB 4.36Å; N100-D163 PolarHBondContact ND2-OD2 2.7Å; N100-D163 VanDerWaalsContact ND2-OD2 3.11Å; N100-D163 PolarHBondContact O-N 2.79Å; N140-D163 WeakPolarHBondContact CA-OD1 3.44Å; N140-D163 WeakPolarHBondContact CB-OD1 3.25Å; I141-D163 WeakPolarHBondContact CD1-OD2 3.31Å; I141-D163 WeakPolarHBondContact CG1-OD2 3.36Å; I141-D163 HydrophobicContact CG2-CB 4.2Å; I141-D163 WeakPolarHBondContact CG2-OD1 3.47Å; I141-D163 PolarHBondContact N-OD1 2.95Å; D163-G168 WeakPolarHBondContact OD2-CA 3.27Å; D163-K169 PolarHBondContact OD2-N 3.44Å; D163-K169 VanDerWaalsContact OD2-N 3.15Å; D163-S170 VanDerWaalsContact CB-OG 3.26Å; D163-S170 WeakPolarHBondContact CB-OG 3.32Å; D163-S170 PolarHBondContact O-OG 3.03Å
164Y98.4Very high97.2Very high0 Ų029.9 Ų29.90%015%0.154CC..PPolyproline II helixtrans-60.2162.5171.4-53.8-67.5000111.2F134 H135 G166 Y167 S170 L179 D182 G209 V212F134-Y164 WeakPolarHBondContact CA-OH 3.42Å; F134-Y164 VanDerWaalsContact CB-OH 3.25Å; F134-Y164 WeakPolarHBondContact CB-OH 3.47Å; F134-Y164 AromaticContact CD1-CE1 3.99Å; F134-Y164 HydrophobicContact CD1-CE1 3.99Å; H135-Y164 AromaticContact CE1-CD2 3.39Å; H135-Y164 WeakPolarHBondContact CE1-CD2 3.41Å; H135-Y164 AromaticContact CE1-CE2 3.58Å; H135-Y164 AromaticContact CG-CE2 3.95Å; H135-Y164 PolarHBondContact N-OH 3.41Å; H135-Y164 AromaticContact ND1-CD2 3.96Å; H135-Y164 AromaticContact ND1-CE2 3.66Å; H135-Y164 AromaticContact NE2-CD2 3.56Å; H135-Y164 AromaticContact NE2-CE2 3.81Å; H135-Y164 VanDerWaalsContact O-CE2 3.26Å; H135-Y164 WeakPolarHBondContact O-CE2 3.48Å; H135-Y164 PolarHBondContact O-OH 3.1Å; Y164-G166 PolarHBondContact O-N 3.22Å; Y164-Y167 HydrophobicContact CD2-CD2 4.33Å; Y164-Y167 HydrophobicContact CD2-CE2 4.46Å; Y164-Y167 WeakPolarHBondContact O-CB 3.37Å; Y164-Y167 PolarHBondContact O-N 2.91Å; Y164-S170 WeakPolarHBondContact O-CB 3.26Å; Y164-L179 HydrophobicContact CD1-CB 4.42Å; Y164-L179 HydrophobicContact CD1-CD2 4.23Å; Y164-L179 HydrophobicContact CD1-CG 3.75Å; Y164-L179 HydrophobicContact CD2-CD2 4.19Å; Y164-L179 HydrophobicContact CD2-CG 4.39Å; Y164-L179 HydrophobicContact CE1-CD2 4.44Å; Y164-L179 HydrophobicContact CE1-CG 4.3Å; Y164-L179 HydrophobicContact CE2-CD2 4.4Å; Y164-L179 HydrophobicContact CG-CD1 4.42Å; Y164-L179 HydrophobicContact CG-CD2 4.09Å; Y164-L179 HydrophobicContact CG-CG 3.8Å; Y164-D182 HydrophobicContact CD1-CB 4.35Å; Y164-G209 VanDerWaalsContact OH-CA 3.25Å; Y164-G209 WeakPolarHBondContact OH-CA 3.29Å; Y164-V212 HydrophobicContact CE1-CG1 4.27Å; Y164-V212 HydrophobicContact CE1-CG2 4.47Å
165R98.5Very high97.3Very high13 Ų1329 Ų295%0.04915%0.152CC..THydrogen-bonded Turntrans-49.9133.5169.566.7-177.163.8-157.3-7.2111.2D95 V97 L99 Y167 E171 E173 G178 L179 D182D95-R165 IonicContact OD1-CZ 3.73Å; D95-R165 IonicContact OD1-NH1 3.2Å; D95-R165 IonicContact OD1-NH2 2.72Å; D95-R165 PolarHBondContact OD1-NH2 3.4Å; D95-R165 IonicContact OD2-CZ 2.63Å; D95-R165 IonicContact OD2-NH1 2.72Å; D95-R165 PolarHBondContact OD2-NH1 3.16Å; D95-R165 IonicContact OD2-NH2 3.07Å; D95-R165 PolarHBondContact OD2-NH2 2.83Å; V97-R165 HydrophobicContact CG1-CB 3.86Å; L99-R165 HydrophobicContact CD2-CB 4.17Å; R165-Y167 VanDerWaalsContact C-N 3.27Å; R165-Y167 WeakPolarHBondContact O-CD2 3.17Å; R165-Y167 PolarHBondContact O-N 3.33Å; R165-E171 CarbonylContact C-O 3.53Å; R165-E171 WeakPolarHBondContact CA-O 3.33Å; R165-E171 WeakPolarHBondContact CB-O 3.39Å; R165-E173 WeakPolarHBondContact CD-O 3.43Å; R165-E173 VanDerWaalsContact CG-O 3.31Å; R165-E173 WeakPolarHBondContact CG-O 3.4Å; R165-G178 VanDerWaalsContact NE-C 3.26Å; R165-G178 VanDerWaalsContact NE-CA 3.26Å; R165-G178 PolarHBondContact NE-O 3.32Å; R165-G178 VanDerWaalsContact NE-O 3.16Å; R165-G178 PolarHBondContact NH2-O 3.41Å; R165-L179 HydrophobicContact CG-CD1 4.28Å; R165-D182 WeakPolarHBondContact CB-OD2 3.45Å; R165-D182 VanDerWaalsContact CG-OD2 3.31Å; R165-D182 WeakPolarHBondContact CG-OD2 3.21Å; R165-D182 IonicContact CZ-OD1 3.84Å; R165-D182 VanDerWaalsContact CZ-OD1 3.26Å; R165-D182 PolarHBondContact N-OD2 3.5Å; R165-D182 IonicContact NE-OD1 3.07Å; R165-D182 PolarHBondContact NE-OD1 2.86Å; R165-D182 IonicContact NE-OD2 3.38Å; R165-D182 PolarHBondContact NE-OD2 2.8Å; R165-D182 IonicContact NH2-OD1 3.98Å; R165-D182 PolarHBondContact NH2-OD1 3.42Å
166G97.4Very high97.4Very high5 Ų529.7 Ų29.75%0.05216%0.155CC..THydrogen-bonded Turntrans77.8-4.1-174.100000116.1P68 R75 Y164 E171 G172P68-G166 WeakPolarHBondContact CB-O 3.39Å; R75-G166 WeakPolarHBondContact CD-O 3.45Å; R75-G166 VanDerWaalsContact CZ-O 3.3Å; R75-G166 PolarHBondContact NE-O 2.97Å; R75-G166 PolarHBondContact NH1-O 2.9Å; Y164-G166 PolarHBondContact O-N 3.22Å; G166-E171 PolarHBondContact N-O 3.06Å; G166-G172 WeakPolarHBondContact CA-O 3.18Å; G166-G172 PolarHBondContact N-O 3.35Å
167Y98.1Very high97.6Very high0 Ų029.9 Ų29.90%016%0.162CC..SBendtrans-103.7154175.8-70.9-103.9000112.1Y66 F67 P68 R75 H135 N137 G139 Y164 R165 K169 S170 P174Y66-Y167 WeakPolarHBondContact CA-OH 3.38Å; Y66-Y167 WeakPolarHBondContact CB-OH 3.49Å; Y66-Y167 WeakPolarHBondContact CD1-OH 3.2Å; F67-Y167 PolarHBondContact N-OH 2.82Å; P68-Y167 HydrophobicContact CB-CD1 3.83Å; P68-Y167 HydrophobicContact CB-CD2 4.21Å; P68-Y167 HydrophobicContact CB-CE1 3.94Å; P68-Y167 HydrophobicContact CB-CE2 4.31Å; P68-Y167 HydrophobicContact CB-CG 3.98Å; R75-Y167 PolarHBondContact NH1-O 3.19Å; H135-Y167 AromaticContact CE1-CD1 3.57Å; H135-Y167 AromaticContact CE1-CG 3.91Å; N137-Y167 WeakPolarHBondContact O-CE1 3.44Å; N137-Y167 PolarHBondContact O-OH 2.99Å; G139-Y167 WeakPolarHBondContact O-CD1 3.5Å; Y164-Y167 HydrophobicContact CD2-CD2 4.33Å; Y164-Y167 HydrophobicContact CD2-CE2 4.46Å; Y164-Y167 WeakPolarHBondContact O-CB 3.37Å; Y164-Y167 PolarHBondContact O-N 2.91Å; R165-Y167 VanDerWaalsContact C-N 3.27Å; R165-Y167 WeakPolarHBondContact O-CD2 3.17Å; R165-Y167 PolarHBondContact O-N 3.33Å; Y167-K169 PolarHBondContact O-N 2.92Å; Y167-K169 VanDerWaalsContact O-N 3.1Å; Y167-S170 WeakPolarHBondContact O-CB 3.3Å; Y167-S170 PolarHBondContact O-N 3.33Å; Y167-P174 HydrophobicContact CE2-CB 3.87Å; Y167-P174 HydrophobicContact CE2-CG 4.22Å
168G96.5Very high97.8Very high1 Ų130 Ų301%0.0116%0.162CC..THydrogen-bonded Turntrans45.9-115.8174.300000113.2R75 D163R75-G168 PolarHBondContact NH1-O 3.29Å; D163-G168 WeakPolarHBondContact OD2-CA 3.27Å
169K96.8Very high97.9Very high87 Ų8729.4 Ų29.438%0.37816%0.159SC..THydrogen-bonded Turntrans-101.56.9177.3-63.9175.7-178.7167.90114.7V78 Y90 N100 D163 Y167V78-K169 HydrophobicContact CB-CG 4.48Å; V78-K169 HydrophobicContact CG2-CD 4.47Å; V78-K169 HydrophobicContact CG2-CG 3.86Å; Y90-K169 HydrophobicContact CE1-CB 4.43Å; N100-K169 HydrophobicContact CB-CB 3.84Å; D163-K169 PolarHBondContact OD2-N 3.44Å; D163-K169 VanDerWaalsContact OD2-N 3.15Å; Y167-K169 PolarHBondContact O-N 2.92Å; Y167-K169 VanDerWaalsContact O-N 3.1Å
170S98.3Very high97.9Very high2 Ų230.7 Ų30.71%0.01416%0.164CC..  trans-77.6147.9175.9-65.10000111.7R75 L99 N100 D163 Y164 Y167R75-S170 PolarHBondContact NH1-O 2.71Å; R75-S170 PolarHBondContact NH2-O 2.5Å; L99-S170 WeakPolarHBondContact CA-OG 3.4Å; N100-S170 PolarHBondContact N-OG 3.46Å; D163-S170 VanDerWaalsContact CB-OG 3.26Å; D163-S170 WeakPolarHBondContact CB-OG 3.32Å; D163-S170 PolarHBondContact O-OG 3.03Å; Y164-S170 WeakPolarHBondContact O-CB 3.26Å; Y167-S170 WeakPolarHBondContact O-CB 3.3Å; Y167-S170 PolarHBondContact O-N 3.33Å
171E98.3Very high97.9Very high93 Ų9333.3 Ų33.344%0.43518%0.178SC..  trans-80.1176.7176.1-68.7174.5-178.200111.4V97 K98 R165 G166V97-E171 HydrophobicContact CG1-CB 4.25Å; V97-E171 WeakPolarHBondContact CG1-O 3.04Å; K98-E171 HydrophobicContact CB-CB 4.38Å; K98-E171 HydrophobicContact CB-CG 4.05Å; K98-E171 VanDerWaalsContact CB-OE2 3.29Å; K98-E171 WeakPolarHBondContact CB-OE2 3.42Å; K98-E171 PolarHBondContact O-N 3.34Å; R165-E171 CarbonylContact C-O 3.53Å; R165-E171 WeakPolarHBondContact CA-O 3.33Å; R165-E171 WeakPolarHBondContact CB-O 3.39Å; G166-E171 PolarHBondContact N-O 3.06Å
172G96.9Very high97.9Very high44 Ų4433.3 Ų33.345%0.45418%0.178SC..SBendtrans80-168.7172.400000115.3G166G166-G172 WeakPolarHBondContact CA-O 3.18Å; G166-G172 PolarHBondContact N-O 3.35Å
173E96.4Very high98Very high163 Ų16333.3 Ų33.376%0.76218%0.178SC*.  trans-127143.4179.8-67.4-177.2173.700110.2R165R165-E173 WeakPolarHBondContact CD-O 3.43Å; R165-E173 VanDerWaalsContact CG-O 3.31Å; R165-E173 WeakPolarHBondContact CG-O 3.4Å
174P97.4Very high98Very high20 Ų2034.8 Ų34.813%0.1319%0.185CC..  trans-74.5135.4-176.531.1-34.8000112.3Y66 Y167 L179Y66-P174 HydrophobicContact CD1-CB 3.9Å; Y66-P174 HydrophobicContact CD1-CG 4.32Å; Y66-P174 HydrophobicContact CD2-CB 3.84Å; Y66-P174 HydrophobicContact CD2-CG 3.72Å; Y66-P174 HydrophobicContact CE1-CB 4.18Å; Y66-P174 HydrophobicContact CE2-CB 4.15Å; Y66-P174 HydrophobicContact CE2-CG 4.44Å; Y66-P174 WeakPolarHBondContact CE2-O 3.25Å; Y66-P174 HydrophobicContact CG-CB 3.7Å; Y66-P174 HydrophobicContact CG-CG 3.64Å; Y167-P174 HydrophobicContact CE2-CB 3.87Å; Y167-P174 HydrophobicContact CE2-CG 4.22Å; P174-L179 HydrophobicContact CB-CD1 3.93Å
175C97.1Very high98Very high42 Ų4235.2 Ų35.228%0.28419%0.189SC..  trans-153.3160.4168.563.80000109.1Y66 D177 G178 L179Y66-C175 VanDerWaalsContact OH-C 3.27Å; Y66-C175 WeakPolarHBondContact OH-CA 3.41Å; C175-D177 PolarHBondContact O-N 2.94Å; C175-G178 PolarHBondContact O-N 3.21Å; C175-G178 VanDerWaalsContact O-N 3.15Å; C175-G178 PolarHBondContact SG-N 2.79Å; C175-L179 VanDerWaalsContact O-CD1 3.26Å; C175-L179 WeakPolarHBondContact O-CD1 3.26Å; C175-L179 PolarHBondContact O-N 2.87Å
176E98.2Very high98Very high24 Ų2434.6 Ų34.611%0.11219%0.187CC..Hα-helixtrans-53.6-55.2-176.9177.9173.9-166.300113.4Y66 G178 L179 Y180 N259 Q260 F261Y66-E176 PolarHBondContact OH-N 3.26Å; Y66-E176 VanDerWaalsContact OH-N 3.14Å; E176-G178 PolarHBondContact O-N 2.88Å; E176-L179 PolarHBondContact O-N 3.16Å; E176-Y180 HydrophobicContact CG-CD2 4.23Å; E176-Y180 HydrophobicContact CG-CE1 4.35Å; E176-Y180 HydrophobicContact CG-CE2 3.52Å; E176-Y180 PolarHBondContact O-N 3.32Å; E176-Y180 VanDerWaalsContact O-N 3.13Å; E176-Y180 PolarHBondContact OE1-OH 3.26Å; E176-N259 HydrophobicContact CB-CB 4.13Å; E176-N259 WeakPolarHBondContact CB-OD1 3.21Å; E176-N259 PolarHBondContact N-OD1 2.82Å; E176-N259 WeakPolarHBondContact OE2-CA 3.44Å; E176-Q260 PolarHBondContact OE2-N 3.39Å; E176-F261 HydrophobicContact CB-CD2 4.46Å; E176-F261 HydrophobicContact CB-CE1 4.28Å; E176-F261 HydrophobicContact CB-CE2 3.89Å; E176-F261 HydrophobicContact CB-CZ 3.78Å; E176-F261 VanDerWaalsContact CD-N 3.3Å; E176-F261 HydrophobicContact CG-CD1 4.11Å; E176-F261 HydrophobicContact CG-CD2 4.33Å; E176-F261 HydrophobicContact CG-CE1 3.9Å; E176-F261 HydrophobicContact CG-CE2 4.13Å; E176-F261 HydrophobicContact CG-CG 4.32Å; E176-F261 HydrophobicContact CG-CZ 3.91Å; E176-F261 WeakPolarHBondContact OE1-CA 3.25Å; E176-F261 PolarHBondContact OE1-N 3.4Å; E176-F261 PolarHBondContact OE2-N 2.85Å
177D98.1Very high98.1Very high121 Ų12134.4 Ų34.465%0.64718%0.184SC*.Hα-helixtrans-61.8-36179.2-70.6-32000112C175 Y180 L181C175-D177 PolarHBondContact O-N 2.94Å; D177-Y180 WeakPolarHBondContact O-CB 3.48Å; D177-Y180 PolarHBondContact O-N 2.89Å; D177-L181 WeakPolarHBondContact O-CG 3.42Å; D177-L181 PolarHBondContact O-N 2.84Å
178G98.5Very high98.1Very high1 Ų136.5 Ų36.51%0.0120%0.195CC..Hα-helixtrans-64.7-46177.400000112.5R165 C175 E176 Y180 L181 D182R165-G178 VanDerWaalsContact NE-C 3.26Å; R165-G178 VanDerWaalsContact NE-CA 3.26Å; R165-G178 PolarHBondContact NE-O 3.32Å; R165-G178 VanDerWaalsContact NE-O 3.16Å; R165-G178 PolarHBondContact NH2-O 3.41Å; C175-G178 PolarHBondContact O-N 3.21Å; C175-G178 VanDerWaalsContact O-N 3.15Å; C175-G178 PolarHBondContact SG-N 2.79Å; E176-G178 PolarHBondContact O-N 2.88Å; G178-Y180 PolarHBondContact O-N 3.15Å; G178-L181 WeakPolarHBondContact O-CB 3.23Å; G178-L181 PolarHBondContact O-N 2.94Å; G178-L181 VanDerWaalsContact O-N 3.1Å; G178-D182 PolarHBondContact O-N 2.88Å
179L98.8Very high98.2Very high0 Ų037.8 Ų37.80%020%0.2CC..Hα-helixtrans-62.5-31.7176-91.966.6000111.8Y66 Y164 R165 P174 C175 E176 D182 A183 L208 V212 F261Y66-L179 HydrophobicContact CE1-CD1 4.5Å; Y66-L179 HydrophobicContact CE1-CD2 4.04Å; Y164-L179 HydrophobicContact CD1-CB 4.42Å; Y164-L179 HydrophobicContact CD1-CD2 4.23Å; Y164-L179 HydrophobicContact CD1-CG 3.75Å; Y164-L179 HydrophobicContact CD2-CD2 4.19Å; Y164-L179 HydrophobicContact CD2-CG 4.39Å; Y164-L179 HydrophobicContact CE1-CD2 4.44Å; Y164-L179 HydrophobicContact CE1-CG 4.3Å; Y164-L179 HydrophobicContact CE2-CD2 4.4Å; Y164-L179 HydrophobicContact CG-CD1 4.42Å; Y164-L179 HydrophobicContact CG-CD2 4.09Å; Y164-L179 HydrophobicContact CG-CG 3.8Å; R165-L179 HydrophobicContact CG-CD1 4.28Å; P174-L179 HydrophobicContact CB-CD1 3.93Å; C175-L179 VanDerWaalsContact O-CD1 3.26Å; C175-L179 WeakPolarHBondContact O-CD1 3.26Å; C175-L179 PolarHBondContact O-N 2.87Å; E176-L179 PolarHBondContact O-N 3.16Å; L179-D182 PolarHBondContact O-N 3.45Å; L179-A183 PolarHBondContact O-N 2.91Å; L179-A183 VanDerWaalsContact O-N 3.09Å; L179-L208 HydrophobicContact CD2-CD2 3.76Å; L179-L208 HydrophobicContact CD2-CG 4.18Å; L179-V212 HydrophobicContact CB-CG2 4.12Å; L179-V212 HydrophobicContact CD2-CG2 4.17Å; L179-F261 HydrophobicContact CD2-CZ 4.22Å
180Y98.8Very high98.2Very high27 Ų2733.7 Ų33.711%0.10618%0.182CC..Hα-helixtrans-67.7-42.3172.4-61.6-22.1000112.3E176 D177 G178 D182 A183 E184 R215 F261E176-Y180 HydrophobicContact CG-CD2 4.23Å; E176-Y180 HydrophobicContact CG-CE1 4.35Å; E176-Y180 HydrophobicContact CG-CE2 3.52Å; E176-Y180 PolarHBondContact O-N 3.32Å; E176-Y180 VanDerWaalsContact O-N 3.13Å; E176-Y180 PolarHBondContact OE1-OH 3.26Å; D177-Y180 WeakPolarHBondContact O-CB 3.48Å; D177-Y180 PolarHBondContact O-N 2.89Å; G178-Y180 PolarHBondContact O-N 3.15Å; Y180-D182 VanDerWaalsContact C-N 3.27Å; Y180-D182 PolarHBondContact O-N 3.11Å; Y180-A183 PolarHBondContact O-N 3.33Å; Y180-E184 WeakPolarHBondContact O-CG 3.46Å; Y180-E184 PolarHBondContact O-N 3.45Å; Y180-R215 HydrophobicContact CD1-CB 3.98Å; Y180-R215 HydrophobicContact CD1-CG 3.62Å; Y180-R215 HydrophobicContact CD2-CG 3.96Å; Y180-R215 HydrophobicContact CE1-CB 3.56Å; Y180-R215 HydrophobicContact CE1-CG 3.48Å; Y180-R215 VanDerWaalsContact CE1-CG 3.48Å; Y180-R215 HydrophobicContact CE2-CG 3.81Å; Y180-R215 HydrophobicContact CG-CG 3.85Å; Y180-F261 HydrophobicContact CE1-CD1 4Å; Y180-F261 AromaticContact CE1-CE1 3.91Å; Y180-F261 HydrophobicContact CE1-CE1 3.91Å
181L98.8Very high98.2Very high55 Ų5535.7 Ų35.729%0.28819%0.192SC..Hα-helixtrans-62.8-35.2173.5-68.9174.3000112.3D95 D177 G178 A185D95-L181 HydrophobicContact CB-CD1 4.2Å; D177-L181 WeakPolarHBondContact O-CG 3.42Å; D177-L181 PolarHBondContact O-N 2.84Å; G178-L181 WeakPolarHBondContact O-CB 3.23Å; G178-L181 PolarHBondContact O-N 2.94Å; G178-L181 VanDerWaalsContact O-N 3.1Å; L181-A185 WeakPolarHBondContact O-CB 3.35Å; L181-A185 PolarHBondContact O-N 3.14Å
182D98.9Very high98.1Very high0 Ų036.4 Ų36.40%020%0.203CC..Hα-helixtrans-66.3-41.2177.1-59-11.8000111.7T93 L99 Y164 R165 G178 L179 Y180 A185 T186T93-D182 WeakPolarHBondContact CG2-OD1 3.5Å; L99-D182 HydrophobicContact CD1-CB 3.57Å; L99-D182 HydrophobicContact CD2-CB 4.46Å; Y164-D182 HydrophobicContact CD1-CB 4.35Å; R165-D182 WeakPolarHBondContact CB-OD2 3.45Å; R165-D182 VanDerWaalsContact CG-OD2 3.31Å; R165-D182 WeakPolarHBondContact CG-OD2 3.21Å; R165-D182 IonicContact CZ-OD1 3.84Å; R165-D182 VanDerWaalsContact CZ-OD1 3.26Å; R165-D182 PolarHBondContact N-OD2 3.5Å; R165-D182 IonicContact NE-OD1 3.07Å; R165-D182 PolarHBondContact NE-OD1 2.86Å; R165-D182 IonicContact NE-OD2 3.38Å; R165-D182 PolarHBondContact NE-OD2 2.8Å; R165-D182 IonicContact NH2-OD1 3.98Å; R165-D182 PolarHBondContact NH2-OD1 3.42Å; G178-D182 PolarHBondContact O-N 2.88Å; L179-D182 PolarHBondContact O-N 3.45Å; Y180-D182 VanDerWaalsContact C-N 3.27Å; Y180-D182 PolarHBondContact O-N 3.11Å; D182-A185 PolarHBondContact O-N 3.32Å; D182-T186 WeakPolarHBondContact O-CB 3.46Å; D182-T186 PolarHBondContact O-N 2.91Å; D182-T186 PolarHBondContact O-OG1 2.93Å
183A98.9Very high98Very high1 Ų136.7 Ų36.71%0.00819%0.19CC..Hα-helixtrans-66.4-43.5176.900000112.2F134 L179 Y180 T186 L187 V212 L216F134-A183 HydrophobicContact CE1-CB 3.69Å; F134-A183 HydrophobicContact CZ-CB 3.72Å; L179-A183 PolarHBondContact O-N 2.91Å; L179-A183 VanDerWaalsContact O-N 3.09Å; Y180-A183 PolarHBondContact O-N 3.33Å; A183-T186 PolarHBondContact O-N 3.15Å; A183-L187 PolarHBondContact O-N 2.82Å; A183-V212 HydrophobicContact CB-CG1 3.5Å; A183-L216 HydrophobicContact CB-CB 4.36Å; A183-L216 HydrophobicContact CB-CD1 4.34Å; A183-L216 HydrophobicContact CB-CD2 4.12Å
184E98.8Very high97.7Very high31 Ų3134.2 Ų34.215%0.14519%0.188CC..Hα-helixtrans-60.9-45.8174-71.8-69.8162.700111.7Y180 T186 L187 D188 L216 V219 N220Y180-E184 WeakPolarHBondContact O-CG 3.46Å; Y180-E184 PolarHBondContact O-N 3.45Å; E184-T186 VanDerWaalsContact C-N 3.27Å; E184-T186 PolarHBondContact O-N 3.39Å; E184-L187 PolarHBondContact O-N 3.17Å; E184-D188 WeakPolarHBondContact O-CB 3.12Å; E184-D188 PolarHBondContact O-N 2.68Å; E184-L216 VanDerWaalsContact CD-CD1 3.47Å; E184-L216 HydrophobicContact CG-CD1 4.01Å; E184-L216 VanDerWaalsContact OE1-CD1 3.29Å; E184-L216 WeakPolarHBondContact OE1-CD1 3.37Å; E184-V219 VanDerWaalsContact OE1-CG2 3.32Å; E184-V219 WeakPolarHBondContact OE1-CG2 3.44Å; E184-N220 PolarHBondContact OE1-ND2 2.83Å; E184-N220 PolarHBondContact OE2-ND2 2.91Å
185A98.8Very high97.4Very high10 Ų1036.7 Ų36.78%0.08320%0.2CC..Hα-helixtrans-61.8-37.5178.100000112.1I91 T93 L181 D182 D188 Y189I91-A185 HydrophobicContact CD1-CB 3.94Å; I91-A185 WeakPolarHBondContact CD1-O 3.14Å; T93-A185 HydrophobicContact CG2-CB 3.92Å; L181-A185 WeakPolarHBondContact O-CB 3.35Å; L181-A185 PolarHBondContact O-N 3.14Å; D182-A185 PolarHBondContact O-N 3.32Å; A185-D188 PolarHBondContact O-N 3.44Å; A185-Y189 WeakPolarHBondContact O-CB 3.43Å; A185-Y189 PolarHBondContact O-N 2.73Å
186T98.7Very high97.2Very high0 Ų034.7 Ų34.70%019%0.187CC..Hα-helixtrans-66.7-42.5176.4-57.30000111.5L101 L132 V160 V162 D182 A183 E184 Y189 V190L101-T186 HydrophobicContact CD2-CG2 4.08Å; L132-T186 HydrophobicContact CD1-CG2 4.31Å; L132-T186 HydrophobicContact CD2-CG2 3.92Å; V160-T186 HydrophobicContact CG1-CG2 3.98Å; V162-T186 HydrophobicContact CB-CG2 4.38Å; V162-T186 HydrophobicContact CG1-CG2 4.47Å; D182-T186 WeakPolarHBondContact O-CB 3.46Å; D182-T186 PolarHBondContact O-N 2.91Å; D182-T186 PolarHBondContact O-OG1 2.93Å; A183-T186 PolarHBondContact O-N 3.15Å; E184-T186 VanDerWaalsContact C-N 3.27Å; E184-T186 PolarHBondContact O-N 3.39Å; T186-Y189 PolarHBondContact O-N 2.86Å; T186-V190 PolarHBondContact O-N 3.18Å; T186-V190 VanDerWaalsContact O-N 3.16Å
187L98.8Very high96.9Very high0 Ų036.6 Ų36.60%020%0.198CC..Hα-helixtrans-63.1-46.5174.2178.362.8000111.5L132 A183 E184 Y189 V190 M191 V201 L216 N220 R223 I224L132-L187 HydrophobicContact CD1-CB 4.13Å; L132-L187 HydrophobicContact CD1-CD1 4.11Å; A183-L187 PolarHBondContact O-N 2.82Å; E184-L187 PolarHBondContact O-N 3.17Å; L187-Y189 VanDerWaalsContact C-N 3.31Å; L187-Y189 PolarHBondContact O-N 3.31Å; L187-V190 PolarHBondContact O-N 2.85Å; L187-M191 HydrophobicContact CD1-CE 3.88Å; L187-M191 HydrophobicContact CD1-CG 3.94Å; L187-M191 HydrophobicContact CG-CG 4.29Å; L187-M191 WeakPolarHBondContact O-CB 3.35Å; L187-M191 VanDerWaalsContact O-CG 3.24Å; L187-M191 WeakPolarHBondContact O-CG 3.35Å; L187-M191 PolarHBondContact O-N 3.32Å; L187-V201 HydrophobicContact CD1-CG1 3.94Å; L187-L216 HydrophobicContact CB-CD1 4.4Å; L187-L216 HydrophobicContact CB-CD2 4.22Å; L187-L216 HydrophobicContact CD2-CD1 3.97Å; L187-L216 HydrophobicContact CD2-CD2 4.44Å; L187-L216 HydrophobicContact CD2-CG 4.33Å; L187-N220 HydrophobicContact CD2-CB 3.99Å; L187-R223 HydrophobicContact CD2-CB 4.45Å; L187-I224 HydrophobicContact CD1-CD1 3.79Å; L187-I224 HydrophobicContact CD2-CD1 4.05Å
188D98.4Very high96.5Very high44 Ų4439.3 Ų39.324%0.23520%0.204CC..Hα-helixtrans-61.6-40.8178.5-72.7-16.7000111.2K94 E184 A185 V190 M191 T192 R223K94-D188 IonicContact NZ-OD2 2.76Å; E184-D188 WeakPolarHBondContact O-CB 3.12Å; E184-D188 PolarHBondContact O-N 2.68Å; A185-D188 PolarHBondContact O-N 3.44Å; D188-V190 PolarHBondContact O-N 3.17Å; D188-M191 PolarHBondContact O-N 3.01Å; D188-T192 WeakPolarHBondContact O-CB 3.39Å; D188-T192 VanDerWaalsContact O-CG2 3.28Å; D188-T192 WeakPolarHBondContact O-CG2 3.48Å; D188-T192 PolarHBondContact O-N 2.81Å; D188-T192 PolarHBondContact O-OG1 2.99Å; D188-R223 IonicContact OD1-CZ 2.74Å; D188-R223 VanDerWaalsContact OD1-CZ 3.32Å; D188-R223 IonicContact OD1-NH1 3.69Å; D188-R223 PolarHBondContact OD1-NH1 3.01Å; D188-R223 IonicContact OD1-NH2 2.99Å; D188-R223 PolarHBondContact OD1-NH2 3.15Å
189Y98.4Very high96.3Very high29 Ų2939.7 Ų39.711%0.11421%0.206CC..Hα-helixtrans-57.5-48173.6164.4-103.8000112.3V89 I91 L101 A185 T186 L187 T192 R193V89-Y189 HydrophobicContact CG1-CD2 4.49Å; V89-Y189 HydrophobicContact CG1-CE2 3.71Å; V89-Y189 WeakPolarHBondContact CG2-OH 3.47Å; I91-Y189 HydrophobicContact CG2-CD2 3.65Å; I91-Y189 HydrophobicContact CG2-CE2 4.28Å; I91-Y189 HydrophobicContact CG2-CG 3.85Å; L101-Y189 HydrophobicContact CD2-CD1 3.67Å; L101-Y189 HydrophobicContact CD2-CE1 4Å; L101-Y189 HydrophobicContact CD2-CG 4.31Å; A185-Y189 WeakPolarHBondContact O-CB 3.43Å; A185-Y189 PolarHBondContact O-N 2.73Å; T186-Y189 PolarHBondContact O-N 2.86Å; L187-Y189 VanDerWaalsContact C-N 3.31Å; L187-Y189 PolarHBondContact O-N 3.31Å; Y189-T192 PolarHBondContact O-OG1 3.24Å; Y189-R193 VanDerWaalsContact O-CB 3.24Å; Y189-R193 WeakPolarHBondContact O-CB 3.23Å; Y189-R193 PolarHBondContact O-N 2.86Å; Y189-R193 PolarHBondContact OH-NH1 2.99Å
190V98Very high96.2Very high0 Ų042.9 Ų42.90%022%0.22CC..Hα-helixtrans-65-42.3177.9168.60000111.8T130 L132 V160 T186 L187 D188 T192 R193 L196 D197 V201T130-V190 HydrophobicContact CG2-CG1 3.98Å; T130-V190 HydrophobicContact CG2-CG2 4.26Å; L132-V190 HydrophobicContact CD2-CB 4.43Å; L132-V190 HydrophobicContact CD2-CG2 3.6Å; V160-V190 HydrophobicContact CG2-CG2 3.84Å; T186-V190 PolarHBondContact O-N 3.18Å; T186-V190 VanDerWaalsContact O-N 3.16Å; L187-V190 PolarHBondContact O-N 2.85Å; D188-V190 PolarHBondContact O-N 3.17Å; V190-T192 VanDerWaalsContact C-N 3.32Å; V190-T192 PolarHBondContact O-N 3.32Å; V190-R193 PolarHBondContact O-N 3.19Å; V190-L196 HydrophobicContact CG1-CB 3.96Å; V190-L196 HydrophobicContact CG1-CD1 4.41Å; V190-L196 HydrophobicContact CG2-CD1 4.22Å; V190-L196 CarbonylContact O-C 3.55Å; V190-D197 PolarHBondContact O-N 2.74Å; V190-V201 HydrophobicContact CG1-CG2 3.82Å
191M96.5Very high96.1Very high45 Ų4541.7 Ų41.722%0.22222%0.215CC..Hα-helixtrans-75.1-18.6-176.2-68.5-66.3-172.100114.2L187 D188 D197 V201 R223L187-M191 HydrophobicContact CD1-CE 3.88Å; L187-M191 HydrophobicContact CD1-CG 3.94Å; L187-M191 HydrophobicContact CG-CG 4.29Å; L187-M191 WeakPolarHBondContact O-CB 3.35Å; L187-M191 VanDerWaalsContact O-CG 3.24Å; L187-M191 WeakPolarHBondContact O-CG 3.35Å; L187-M191 PolarHBondContact O-N 3.32Å; D188-M191 PolarHBondContact O-N 3.01Å; M191-D197 WeakPolarHBondContact O-CB 3.16Å; M191-V201 HydrophobicContact CE-CB 3.85Å; M191-V201 HydrophobicContact CE-CG2 3.35Å; M191-V201 HydrophobicContact SD-CG2 4.2Å; M191-R223 HydrophobicContact CE-CB 4.02Å; M191-R223 WeakPolarHBondContact CE-O 3.44Å
192T96.4Very high96.1Very high107 Ų10739 Ų3966%0.65620%0.201SC*.Hα-helixtrans-101.2-8.3177.755.70000113D188 Y189 V190D188-T192 WeakPolarHBondContact O-CB 3.39Å; D188-T192 VanDerWaalsContact O-CG2 3.28Å; D188-T192 WeakPolarHBondContact O-CG2 3.48Å; D188-T192 PolarHBondContact O-N 2.81Å; D188-T192 PolarHBondContact O-OG1 2.99Å; Y189-T192 PolarHBondContact O-OG1 3.24Å; V190-T192 VanDerWaalsContact C-N 3.32Å; V190-T192 PolarHBondContact O-N 3.32Å
193R94.7Very high96.1Very high51 Ų5139 Ų3919%0.19220%0.201CC..SBendtrans-84118.9179-173174.9178.2139.84.4110.1E87 R105 Y189 V190 D195 L196 D197E87-R193 VanDerWaalsContact CD-NH2 3.34Å; E87-R193 IonicContact OE1-CZ 3.76Å; E87-R193 IonicContact OE1-NH1 3.8Å; E87-R193 IonicContact OE1-NH2 2.67Å; E87-R193 PolarHBondContact OE1-NH2 2.99Å; E87-R193 VanDerWaalsContact OE1-NH2 3.13Å; E87-R193 IonicContact OE2-CZ 2.91Å; E87-R193 VanDerWaalsContact OE2-CZ 3.24Å; E87-R193 IonicContact OE2-NH1 2.81Å; E87-R193 PolarHBondContact OE2-NH1 3.07Å; E87-R193 IonicContact OE2-NH2 3.46Å; E87-R193 PolarHBondContact OE2-NH2 3.19Å; R105-R193 VanDerWaalsContact NH2-CZ 3.27Å; Y189-R193 VanDerWaalsContact O-CB 3.24Å; Y189-R193 WeakPolarHBondContact O-CB 3.23Å; Y189-R193 PolarHBondContact O-N 2.86Å; Y189-R193 PolarHBondContact OH-NH1 2.99Å; V190-R193 PolarHBondContact O-N 3.19Å; R193-D195 WeakPolarHBondContact CD-OD1 3.36Å; R193-D195 WeakPolarHBondContact CG-OD1 3.3Å; R193-D195 IonicContact CZ-OD1 3.89Å; R193-D195 IonicContact NE-OD1 3.03Å; R193-D195 PolarHBondContact NE-OD1 3.1Å; R193-D195 IonicContact NE-OD2 3.26Å; R193-D195 PolarHBondContact NE-OD2 3.5Å; R193-D195 IonicContact NH2-OD1 3.32Å; R193-D195 PolarHBondContact O-N 3.23Å; R193-L196 HydrophobicContact CB-CB 4.49Å; R193-L196 PolarHBondContact O-N 3.18Å; R193-D197 WeakPolarHBondContact O-CB 3.36Å; R193-D197 PolarHBondContact O-N 3.36Å
194P91.6Very high96.1Very high111 Ų11139 Ų3972%0.72120%0.201SC*.THydrogen-bonded Turntrans-59.1-21.6-169.9-27.635.1000116.9D197P194-D197 VanDerWaalsContact O-OD1 3.09Å
195D90.5Very high96.1Very high71 Ų7137.5 Ų37.538%0.3819%0.194SC..THydrogen-bonded Turntrans-94.3-7.5178.760.4-83.6000113.6R105 R193R105-D195 IonicContact CZ-OD2 2.82Å; R105-D195 IonicContact NH1-OD2 2.85Å; R105-D195 PolarHBondContact NH1-OD2 3.27Å; R105-D195 IonicContact NH2-OD1 3.87Å; R105-D195 IonicContact NH2-OD2 3.4Å; R105-D195 PolarHBondContact NH2-OD2 3.26Å; R193-D195 WeakPolarHBondContact CD-OD1 3.36Å; R193-D195 WeakPolarHBondContact CG-OD1 3.3Å; R193-D195 IonicContact CZ-OD1 3.89Å; R193-D195 IonicContact NE-OD1 3.03Å; R193-D195 PolarHBondContact NE-OD1 3.1Å; R193-D195 IonicContact NE-OD2 3.26Å; R193-D195 PolarHBondContact NE-OD2 3.5Å; R193-D195 IonicContact NH2-OD1 3.32Å; R193-D195 PolarHBondContact O-N 3.23Å
196L93.8Very high96.1Very high0 Ų037.3 Ų37.30%019%0.191CC..THydrogen-bonded Turntrans-122.1-16.7178.4-56.9-179.9000113.9L103 V190 R193 K198 T199L103-L196 HydrophobicContact CD1-CD1 4.33Å; L103-L196 HydrophobicContact CD2-CD1 4.09Å; V190-L196 HydrophobicContact CG1-CB 3.96Å; V190-L196 HydrophobicContact CG1-CD1 4.41Å; V190-L196 HydrophobicContact CG2-CD1 4.22Å; V190-L196 CarbonylContact O-C 3.55Å; R193-L196 HydrophobicContact CB-CB 4.49Å; R193-L196 PolarHBondContact O-N 3.18Å; L196-K198 PolarHBondContact O-N 3.31Å; L196-K198 VanDerWaalsContact O-N 3.1Å; L196-T199 HydrophobicContact CD2-CG2 4.44Å; L196-T199 WeakPolarHBondContact O-CB 3.31Å; L196-T199 WeakPolarHBondContact O-CG2 3.41Å; L196-T199 PolarHBondContact O-N 3.18Å; L196-T199 PolarHBondContact O-OG1 3.36Å
197D91.4Very high96.1Very high64 Ų6437.8 Ų37.834%0.34219%0.194SC..THydrogen-bonded Turntrans-55-29.2-174.166.9-19.3000114.6V190 M191 R193 P194V190-D197 PolarHBondContact O-N 2.74Å; M191-D197 WeakPolarHBondContact O-CB 3.16Å; R193-D197 WeakPolarHBondContact O-CB 3.36Å; R193-D197 PolarHBondContact O-N 3.36Å; P194-D197 VanDerWaalsContact O-OD1 3.09Å
198K89.8Confident96.1Very high178 Ų17837.8 Ų37.877%0.77420%0.195SC*.THydrogen-bonded Turntrans-97.3-1.2178.8-67.5171.5-170.1178.60114L196L196-K198 PolarHBondContact O-N 3.31Å; L196-K198 VanDerWaalsContact O-N 3.1Å
199T93.9Very high96.1Very high10 Ų1035.7 Ų35.76%0.06118%0.183CC..SBendtrans-74.4148.2-179.866.40000110.7A127 P128 T130 L196 V201A127-T199 HydrophobicContact CB-CG2 4.18Å; P128-T199 WeakPolarHBondContact O-CB 3.14Å; P128-T199 VanDerWaalsContact O-CG2 3.3Å; P128-T199 WeakPolarHBondContact O-CG2 3.5Å; T130-T199 VanDerWaalsContact CB-OG1 3.31Å; T130-T199 WeakPolarHBondContact CB-OG1 3.35Å; T130-T199 WeakPolarHBondContact OG1-CB 3.31Å; T130-T199 PolarHBondContact OG1-OG1 2.85Å; L196-T199 HydrophobicContact CD2-CG2 4.44Å; L196-T199 WeakPolarHBondContact O-CB 3.31Å; L196-T199 WeakPolarHBondContact O-CG2 3.41Å; L196-T199 PolarHBondContact O-N 3.18Å; L196-T199 PolarHBondContact O-OG1 3.36Å; T199-V201 PolarHBondContact O-N 2.96Å
200K95.4Very high96.1Very high67 Ų6734.3 Ų34.329%0.29118%0.178SC..  trans-71.6115.7170.3-58.4-63.4-176.3-178.40108.1P129 T130 A225 E340P129-K200 WeakPolarHBondContact CA-O 3.16Å; P129-K200 HydrophobicContact CB-CB 4.35Å; P129-K200 WeakPolarHBondContact CB-O 3.17Å; T130-K200 PolarHBondContact N-O 3.12Å; K200-A225 HydrophobicContact CB-CB 3.9Å; K200-E340 WeakPolarHBondContact CE-OE1 3.23Å; K200-E340 IonicContact NZ-OE1 2.79Å; K200-E340 PolarHBondContact NZ-OE1 2.99Å
201V98.1Very high96.1Very high1 Ų134.4 Ų34.41%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-85.7120.8-178.7177.30000110.7T130 L132 L187 V190 M191 T199 L203 I224 A225T130-V201 WeakPolarHBondContact O-CA 3.39Å; L132-V201 HydrophobicContact CD1-CG1 3.95Å; L132-V201 HydrophobicContact CG-CG1 3.92Å; L187-V201 HydrophobicContact CD1-CG1 3.94Å; V190-V201 HydrophobicContact CG1-CG2 3.82Å; M191-V201 HydrophobicContact CE-CB 3.85Å; M191-V201 HydrophobicContact CE-CG2 3.35Å; M191-V201 HydrophobicContact SD-CG2 4.2Å; T199-V201 PolarHBondContact O-N 2.96Å; V201-L203 HydrophobicContact CG1-CD2 4.08Å; V201-I224 HydrophobicContact CG1-CD1 4.1Å; V201-A225 WeakPolarHBondContact O-CB 3.26Å; V201-A225 PolarHBondContact O-N 2.92Å
202V98.6Very high96.2Very high0 Ų032.2 Ų32.20%017%0.168CC..EExtended strand (participates in β ladder)trans-112.2131.6176178.40000108.7T130 I131 L132 A226 I228 M329 L332T130-V202 PolarHBondContact O-N 3.28Å; I131-V202 CarbonylContact C-O 3.5Å; I131-V202 VanDerWaalsContact CA-O 3.25Å; I131-V202 WeakPolarHBondContact CA-O 3.18Å; I131-V202 HydrophobicContact CG1-CB 4.34Å; L132-V202 PolarHBondContact N-O 3.49Å; V202-A226 WeakPolarHBondContact CA-O 3.26Å; V202-A226 HydrophobicContact CG1-CB 4.19Å; V202-A226 HydrophobicContact CG2-CB 4.19Å; V202-I228 HydrophobicContact CG1-CD1 4.06Å; V202-I228 HydrophobicContact CG1-CG1 4.12Å; V202-M329 HydrophobicContact CG1-SD 4.25Å; V202-M329 HydrophobicContact CG2-CE 3.97Å; V202-M329 HydrophobicContact CG2-SD 4.11Å; V202-L332 HydrophobicContact CG2-CD2 3.84Å
203L98.9Very high96.4Very high0 Ų027.1 Ų27.10%014%0.137CC..EExtended strand (participates in β ladder)trans-92.2130176-49.8-174.2000109.4L132 F134 V201 A213 L216 A217 I224 A226 I227 I228L132-L203 HydrophobicContact CB-CD2 3.92Å; L132-L203 HydrophobicContact CD1-CD2 3.74Å; L132-L203 HydrophobicContact CG-CD2 4.07Å; F134-L203 HydrophobicContact CE2-CD2 4.12Å; V201-L203 HydrophobicContact CG1-CD2 4.08Å; L203-A213 HydrophobicContact CB-CB 4.03Å; L203-A213 HydrophobicContact CD1-CB 4.47Å; L203-A213 WeakPolarHBondContact CD1-O 3.42Å; L203-L216 HydrophobicContact CD1-CB 3.99Å; L203-L216 HydrophobicContact CD1-CD2 3.84Å; L203-L216 HydrophobicContact CD1-CG 4.02Å; L203-L216 HydrophobicContact CD2-CD2 3.86Å; L203-A217 HydrophobicContact CD1-CB 3.92Å; L203-I224 HydrophobicContact CD1-CD1 4.08Å; L203-I224 HydrophobicContact CD1-CG1 4.11Å; L203-I224 HydrophobicContact CD1-CG2 4.07Å; L203-I224 HydrophobicContact CD2-CD1 3.74Å; L203-I224 HydrophobicContact CG-CD1 4.02Å; L203-I224 HydrophobicContact CG-CG1 4.37Å; L203-I224 HydrophobicContact CG-CG2 3.81Å; L203-A226 PolarHBondContact N-O 3.21Å; L203-I227 HydrophobicContact CB-CG2 4.13Å; L203-I227 HydrophobicContact CD1-CG2 4.16Å; L203-I227 HydrophobicContact CG-CG2 4.31Å; L203-I227 CarbonylContact O-C 3.59Å; L203-I227 WeakPolarHBondContact O-CA 3.27Å; L203-I228 PolarHBondContact O-N 3Å
204F98.9Very high96.6Very high0 Ų024.7 Ų24.70%013%0.127CC..EExtended strand (participates in β ladder)trans-115128.2168176.9-89.7000108.9I131 L132 Y133 F134 M151 R206 I228 E230 Y321I131-F204 HydrophobicContact CG2-CB 3.63Å; L132-F204 PolarHBondContact O-N 3.47Å; L132-F204 VanDerWaalsContact O-O 3.08Å; Y133-F204 HydrophobicContact CD1-CD1 4.18Å; Y133-F204 AromaticContact CD2-CD1 3.64Å; Y133-F204 HydrophobicContact CD2-CD1 3.64Å; Y133-F204 HydrophobicContact CD2-CE1 4.05Å; Y133-F204 HydrophobicContact CE1-CD1 4.15Å; Y133-F204 HydrophobicContact CE1-CE1 4.01Å; Y133-F204 AromaticContact CE2-CD1 3.63Å; Y133-F204 HydrophobicContact CE2-CD1 3.63Å; Y133-F204 AromaticContact CE2-CE1 3.51Å; Y133-F204 HydrophobicContact CE2-CE1 3.51Å; Y133-F204 HydrophobicContact CE2-CZ 4.48Å; Y133-F204 AromaticContact CG-CD1 3.92Å; Y133-F204 HydrophobicContact CG-CD1 3.92Å; Y133-F204 AromaticContact CZ-CD1 3.88Å; Y133-F204 AromaticContact CZ-CE1 3.48Å; Y133-F204 VanDerWaalsContact CZ-CE1 3.48Å; F134-F204 PolarHBondContact N-O 3.03Å; M151-F204 HydrophobicContact CE-CB 4Å; M151-F204 HydrophobicContact CE-CD1 4.36Å; M151-F204 HydrophobicContact CE-CD2 3.53Å; M151-F204 HydrophobicContact CE-CE2 4.1Å; M151-F204 HydrophobicContact CE-CG 3.68Å; M151-F204 HydrophobicContact SD-CD1 4.34Å; M151-F204 HydrophobicContact SD-CD2 4.33Å; M151-F204 HydrophobicContact SD-CG 4.25Å; F204-R206 HydrophobicContact CE1-CB 4.41Å; F204-I228 WeakPolarHBondContact CA-O 3.43Å; F204-I228 HydrophobicContact CD2-CB 3.9Å; F204-I228 HydrophobicContact CD2-CG2 3.64Å; F204-I228 HydrophobicContact CE2-CG2 3.95Å; F204-E230 HydrophobicContact CE2-CB 4.38Å; F204-E230 HydrophobicContact CZ-CB 4.23Å; F204-Y321 WeakPolarHBondContact CE2-OH 3.47Å
205G98.6Very high96.9Very high0 Ų022.4 Ų22.40%010%0.104CC..EExtended strand (participates in β ladder)trans-139.9131.7177.800000112.6F134 G209 I228 E230F134-G205 WeakPolarHBondContact O-CA 3.46Å; G205-G209 VanDerWaalsContact CA-C 3.48Å; G205-G209 WeakPolarHBondContact CA-O 3.36Å; G205-I228 PolarHBondContact N-O 3.16Å; G205-E230 PolarHBondContact O-N 2.96Å
206R98.4Very high97.3Very high6 Ų619.1 Ų19.12%0.0239%0.087CC..EExtended strand (participates in β ladder)trans-108.2133.3173.9-180-174.8-62.6-168.9-11.6110.9F134 G136 N147 F204 L208 G209 E230 N313F134-R206 PolarHBondContact O-N 2.63Å; G136-R206 WeakPolarHBondContact CA-O 3.49Å; N147-R206 PolarHBondContact ND2-NH2 3.13Å; F204-R206 HydrophobicContact CE1-CB 4.41Å; R206-L208 PolarHBondContact O-N 2.99Å; R206-G209 WeakPolarHBondContact O-CA 3.47Å; R206-G209 PolarHBondContact O-N 2.92Å; R206-E230 WeakPolarHBondContact CA-O 3.42Å; R206-E230 IonicContact CZ-OE1 2.56Å; R206-E230 IonicContact NE-OE1 3.58Å; R206-E230 PolarHBondContact NE-OE1 3.18Å; R206-E230 IonicContact NH2-OE1 3.5Å; R206-E230 PolarHBondContact NH2-OE1 3.15Å; R206-E230 IonicContact NH2-OE2 3.62Å; R206-N313 PolarHBondContact NH1-O 2.72Å
207S98.1Very high97.5Very high9 Ų919.1 Ų19.16%0.0639%0.087CC..THydrogen-bonded Turntrans55-120.6173.9-171.70000111.3G209 G210 A211 E230 N231 T232 H312S207-G209 PolarHBondContact O-N 2.66Å; S207-G210 PolarHBondContact O-N 3.28Å; S207-A211 PolarHBondContact O-N 3.13Å; S207-E230 PolarHBondContact N-O 3.36Å; S207-N231 WeakPolarHBondContact CA-O 3.27Å; S207-N231 PolarHBondContact N-O 2.8Å; S207-T232 PolarHBondContact N-OG1 2.72Å; S207-T232 WeakPolarHBondContact O-CG2 3.48Å; S207-T232 PolarHBondContact O-OG1 2.9Å; S207-H312 VanDerWaalsContact CB-NE2 3.27Å; S207-H312 WeakPolarHBondContact CB-NE2 3.49Å; S207-H312 PolarHBondContact OG-CE1 2.97Å; S207-H312 VanDerWaalsContact OG-CE1 3.31Å; S207-H312 PolarHBondContact OG-NE2 2.72Å
208L98.7Very high97.9Very high1 Ų116.8 Ų16.81%0.0058%0.075CC..Hα-helixtrans-49.9-42.4171.5-179.165.8000112.9Y66 N137 L179 R206 G210 A211 V212 F233 F261Y66-L208 HydrophobicContact CD1-CD2 3.91Å; Y66-L208 HydrophobicContact CE1-CD1 4.49Å; Y66-L208 HydrophobicContact CE1-CD2 3.77Å; N137-L208 HydrophobicContact CB-CB 4.13Å; N137-L208 HydrophobicContact CB-CD2 3.74Å; L179-L208 HydrophobicContact CD2-CD2 3.76Å; L179-L208 HydrophobicContact CD2-CG 4.18Å; R206-L208 PolarHBondContact O-N 2.99Å; L208-G210 PolarHBondContact O-N 2.85Å; L208-A211 WeakPolarHBondContact O-CB 3.42Å; L208-A211 PolarHBondContact O-N 3.18Å; L208-A211 VanDerWaalsContact O-N 3.13Å; L208-V212 PolarHBondContact O-N 3.49Å; L208-V212 VanDerWaalsContact O-N 3.16Å; L208-F233 HydrophobicContact CD1-CZ 4.38Å; L208-F261 HydrophobicContact CD1-CD1 4.1Å; L208-F261 HydrophobicContact CD1-CD2 3.95Å; L208-F261 HydrophobicContact CD1-CE1 3.77Å; L208-F261 HydrophobicContact CD1-CE2 3.6Å; L208-F261 HydrophobicContact CD1-CG 4.19Å; L208-F261 HydrophobicContact CD1-CZ 3.51Å
209G98.7Very high98.3Very high0 Ų011.7 Ų11.70%06%0.059CC..Hα-helixtrans-66.6-24.9179.200000113.7F134 H135 Y164 G205 R206 S207 V212 A213F134-G209 WeakPolarHBondContact CB-O 3.46Å; H135-G209 WeakPolarHBondContact O-CA 3.39Å; H135-G209 PolarHBondContact O-N 3.3Å; Y164-G209 VanDerWaalsContact OH-CA 3.25Å; Y164-G209 WeakPolarHBondContact OH-CA 3.29Å; G205-G209 VanDerWaalsContact CA-C 3.48Å; G205-G209 WeakPolarHBondContact CA-O 3.36Å; R206-G209 WeakPolarHBondContact O-CA 3.47Å; R206-G209 PolarHBondContact O-N 2.92Å; S207-G209 PolarHBondContact O-N 2.66Å; G209-V212 PolarHBondContact O-N 3.09Å; G209-A213 VanDerWaalsContact O-CB 3.31Å; G209-A213 WeakPolarHBondContact O-CB 3.43Å; G209-A213 PolarHBondContact O-N 3.05Å
210G98.8Very high98.5Very high0 Ų012.1 Ų12.10%06%0.061CC..Hα-helixtrans-68.4-40171.400000112.1S207 L208 V212 A213 V214 T232S207-G210 PolarHBondContact O-N 3.28Å; L208-G210 PolarHBondContact O-N 2.85Å; G210-V212 VanDerWaalsContact C-N 3.3Å; G210-V212 PolarHBondContact O-N 3.5Å; G210-A213 PolarHBondContact O-N 3.37Å; G210-V214 WeakPolarHBondContact O-CB 3.42Å; G210-V214 VanDerWaalsContact O-CG2 3.22Å; G210-V214 WeakPolarHBondContact O-CG2 3.04Å; G210-V214 PolarHBondContact O-N 2.92Å; G210-T232 WeakPolarHBondContact CA-OG1 3.4Å
211A98.8Very high98.5Very high1 Ų111.5 Ų11.51%0.0086%0.064CC..Hα-helixtrans-63-39.1173.900000111.8S207 L208 R215 F233 F261 S263S207-A211 PolarHBondContact O-N 3.13Å; L208-A211 WeakPolarHBondContact O-CB 3.42Å; L208-A211 PolarHBondContact O-N 3.18Å; L208-A211 VanDerWaalsContact O-N 3.13Å; A211-R215 WeakPolarHBondContact O-CB 3.46Å; A211-R215 PolarHBondContact O-N 2.86Å; A211-F233 HydrophobicContact CB-CE2 4.29Å; A211-F233 HydrophobicContact CB-CZ 4.02Å; A211-F261 HydrophobicContact CB-CB 3.94Å; A211-F261 HydrophobicContact CB-CD1 3.89Å; A211-F261 HydrophobicContact CB-CG 4.26Å; A211-S263 WeakPolarHBondContact CA-OG 3.36Å; A211-S263 WeakPolarHBondContact CB-OG 3.28Å
212V98.9Very high98.3Very high0 Ų020.3 Ų20.30%011%0.105CC..Hα-helixtrans-65-47.5174.1176.50000111.3F134 Y164 L179 A183 L208 G209 G210 V214 R215 L216 F261F134-V212 HydrophobicContact CD1-CG1 4.21Å; F134-V212 HydrophobicContact CG-CG1 4.35Å; Y164-V212 HydrophobicContact CE1-CG1 4.27Å; Y164-V212 HydrophobicContact CE1-CG2 4.47Å; L179-V212 HydrophobicContact CB-CG2 4.12Å; L179-V212 HydrophobicContact CD2-CG2 4.17Å; A183-V212 HydrophobicContact CB-CG1 3.5Å; L208-V212 PolarHBondContact O-N 3.49Å; L208-V212 VanDerWaalsContact O-N 3.16Å; G209-V212 PolarHBondContact O-N 3.09Å; G210-V212 VanDerWaalsContact C-N 3.3Å; G210-V212 PolarHBondContact O-N 3.5Å; V212-V214 PolarHBondContact O-N 3.22Å; V212-R215 WeakPolarHBondContact O-CB 3.39Å; V212-R215 PolarHBondContact O-N 2.88Å; V212-L216 PolarHBondContact O-N 3.37Å; V212-F261 HydrophobicContact CG2-CE1 4.02Å
213A98.9Very high98.2Very high0 Ų024 Ų240%012%0.119CC..Hα-helixtrans-60-46.3178.500000112.1F134 L203 G209 G210 R215 L216 A217F134-A213 HydrophobicContact CD2-CB 3.86Å; F134-A213 HydrophobicContact CE2-CB 4.49Å; L203-A213 HydrophobicContact CB-CB 4.03Å; L203-A213 HydrophobicContact CD1-CB 4.47Å; L203-A213 WeakPolarHBondContact CD1-O 3.42Å; G209-A213 VanDerWaalsContact O-CB 3.31Å; G209-A213 WeakPolarHBondContact O-CB 3.43Å; G209-A213 PolarHBondContact O-N 3.05Å; G210-A213 PolarHBondContact O-N 3.37Å; A213-R215 VanDerWaalsContact C-N 3.33Å; A213-R215 PolarHBondContact O-N 2.88Å; A213-L216 PolarHBondContact O-N 2.82Å; A213-A217 WeakPolarHBondContact O-CB 3.38Å; A213-A217 PolarHBondContact O-N 3.32Å
214V98.8Very high98.1Very high0 Ų024.4 Ų24.40%012%0.121CC..Hα-helixtrans-63.3-41.3177.9175.20000110.6G210 V212 A217 S218 I227 V229 Q266 V267G210-V214 WeakPolarHBondContact O-CB 3.42Å; G210-V214 VanDerWaalsContact O-CG2 3.22Å; G210-V214 WeakPolarHBondContact O-CG2 3.04Å; G210-V214 PolarHBondContact O-N 2.92Å; V212-V214 PolarHBondContact O-N 3.22Å; V214-A217 PolarHBondContact O-N 3.32Å; V214-S218 PolarHBondContact O-N 2.8Å; V214-I227 HydrophobicContact CG2-CD1 4.34Å; V214-V229 HydrophobicContact CG2-CG1 4.41Å; V214-V229 HydrophobicContact CG2-CG2 3.63Å; V214-Q266 HydrophobicContact CG1-CB 3.67Å; V214-V267 HydrophobicContact CG1-CB 3.79Å; V214-V267 HydrophobicContact CG1-CG2 4.38Å; V214-V267 VanDerWaalsContact CG1-N 3.33Å
215R98.8Very high98Very high62 Ų6225 Ų2523%0.23413%0.125CC..Hα-helixtrans-61.5-46.1174.9178.375-177.584.93.7111.7Y180 A211 V212 A213 A217 S218 V219 Q266Y180-R215 HydrophobicContact CD1-CB 3.98Å; Y180-R215 HydrophobicContact CD1-CG 3.62Å; Y180-R215 HydrophobicContact CD2-CG 3.96Å; Y180-R215 HydrophobicContact CE1-CB 3.56Å; Y180-R215 HydrophobicContact CE1-CG 3.48Å; Y180-R215 VanDerWaalsContact CE1-CG 3.48Å; Y180-R215 HydrophobicContact CE2-CG 3.81Å; Y180-R215 HydrophobicContact CG-CG 3.85Å; A211-R215 WeakPolarHBondContact O-CB 3.46Å; A211-R215 PolarHBondContact O-N 2.86Å; V212-R215 WeakPolarHBondContact O-CB 3.39Å; V212-R215 PolarHBondContact O-N 2.88Å; A213-R215 VanDerWaalsContact C-N 3.33Å; A213-R215 PolarHBondContact O-N 2.88Å; R215-A217 VanDerWaalsContact C-N 3.34Å; R215-S218 PolarHBondContact NH1-OG 3.02Å; R215-S218 PolarHBondContact O-N 2.67Å; R215-S218 PolarHBondContact O-OG 3.1Å; R215-V219 VanDerWaalsContact NH1-CG2 3.34Å; R215-V219 WeakPolarHBondContact O-CG2 3.49Å; R215-V219 PolarHBondContact O-N 3.47Å; R215-Q266 HydrophobicContact CB-CG 4.46Å; R215-Q266 VanDerWaalsContact CD-CD 3.49Å
216L98.9Very high98Very high3 Ų325 Ų252%0.01613%0.125CC..Hα-helixtrans-61.9-43.9-179.8179.566.3000111L132 F134 A183 E184 L187 L203 V212 A213 S218 V219 N220L132-L216 HydrophobicContact CD1-CD2 4.42Å; F134-L216 HydrophobicContact CE2-CD2 3.8Å; F134-L216 HydrophobicContact CZ-CD2 3.69Å; A183-L216 HydrophobicContact CB-CB 4.36Å; A183-L216 HydrophobicContact CB-CD1 4.34Å; A183-L216 HydrophobicContact CB-CD2 4.12Å; E184-L216 VanDerWaalsContact CD-CD1 3.47Å; E184-L216 HydrophobicContact CG-CD1 4.01Å; E184-L216 VanDerWaalsContact OE1-CD1 3.29Å; E184-L216 WeakPolarHBondContact OE1-CD1 3.37Å; L187-L216 HydrophobicContact CB-CD1 4.4Å; L187-L216 HydrophobicContact CB-CD2 4.22Å; L187-L216 HydrophobicContact CD2-CD1 3.97Å; L187-L216 HydrophobicContact CD2-CD2 4.44Å; L187-L216 HydrophobicContact CD2-CG 4.33Å; L203-L216 HydrophobicContact CD1-CB 3.99Å; L203-L216 HydrophobicContact CD1-CD2 3.84Å; L203-L216 HydrophobicContact CD1-CG 4.02Å; L203-L216 HydrophobicContact CD2-CD2 3.86Å; V212-L216 PolarHBondContact O-N 3.37Å; A213-L216 PolarHBondContact O-N 2.82Å; L216-S218 VanDerWaalsContact C-N 3.34Å; L216-S218 PolarHBondContact O-N 2.87Å; L216-V219 PolarHBondContact O-N 3.11Å; L216-N220 WeakPolarHBondContact CD1-ND2 3.35Å; L216-N220 WeakPolarHBondContact O-CB 3.4Å; L216-N220 PolarHBondContact O-N 3.4Å; L216-N220 VanDerWaalsContact O-N 3.1Å; L216-N220 PolarHBondContact O-ND2 3.22Å; L216-N220 VanDerWaalsContact O-ND2 3.11Å
217A98.6Very high98Very high0 Ų024.7 Ų24.70%012%0.124CC..Hα-helixtrans-63.2-37.4176.800000113.2L203 A213 V214 R215 V219 N220 I224 I227 M272L203-A217 HydrophobicContact CD1-CB 3.92Å; A213-A217 WeakPolarHBondContact O-CB 3.38Å; A213-A217 PolarHBondContact O-N 3.32Å; V214-A217 PolarHBondContact O-N 3.32Å; R215-A217 VanDerWaalsContact C-N 3.34Å; A217-V219 VanDerWaalsContact C-N 3.32Å; A217-V219 PolarHBondContact O-N 3.06Å; A217-N220 CarbonylContact O-C 3.54Å; A217-N220 PolarHBondContact O-N 2.88Å; A217-I224 HydrophobicContact CB-CG2 4.37Å; A217-I227 HydrophobicContact CB-CG2 3.51Å; A217-M272 HydrophobicContact CB-CE 4.33Å; A217-M272 HydrophobicContact CB-SD 4.08Å
218S98.4Very high98.1Very high14 Ų1424.2 Ų24.210%0.09812%0.121CC..Hα-helixtrans-66.7-31.3-177.775.70000113.4V214 R215 L216 Q266V214-S218 PolarHBondContact O-N 2.8Å; R215-S218 PolarHBondContact NH1-OG 3.02Å; R215-S218 PolarHBondContact O-N 2.67Å; R215-S218 PolarHBondContact O-OG 3.1Å; L216-S218 VanDerWaalsContact C-N 3.34Å; L216-S218 PolarHBondContact O-N 2.87Å; S218-Q266 PolarHBondContact OG-OE1 2.97Å
219V98.3Very high98.1Very high72 Ų7224.2 Ų24.244%0.43612%0.121SC..Hα-helixtrans-93.9-12.7175.2-81.80000114.8E184 R215 L216 A217 P221E184-V219 VanDerWaalsContact OE1-CG2 3.32Å; E184-V219 WeakPolarHBondContact OE1-CG2 3.44Å; R215-V219 VanDerWaalsContact NH1-CG2 3.34Å; R215-V219 WeakPolarHBondContact O-CG2 3.49Å; R215-V219 PolarHBondContact O-N 3.47Å; L216-V219 PolarHBondContact O-N 3.11Å; A217-V219 VanDerWaalsContact C-N 3.32Å; A217-V219 PolarHBondContact O-N 3.06Å; V219-P221 WeakPolarHBondContact O-CD 3.45Å
220N97.9Very high98.1Very high18 Ų1824.2 Ų24.210%0.09612%0.121CC..  trans-121.449.5178.4-66.2-83.9000112.9E184 L187 L216 A217 H222 R223 I224E184-N220 PolarHBondContact OE1-ND2 2.83Å; E184-N220 PolarHBondContact OE2-ND2 2.91Å; L187-N220 HydrophobicContact CD2-CB 3.99Å; L216-N220 WeakPolarHBondContact CD1-ND2 3.35Å; L216-N220 WeakPolarHBondContact O-CB 3.4Å; L216-N220 PolarHBondContact O-N 3.4Å; L216-N220 VanDerWaalsContact O-N 3.1Å; L216-N220 PolarHBondContact O-ND2 3.22Å; L216-N220 VanDerWaalsContact O-ND2 3.11Å; A217-N220 CarbonylContact O-C 3.54Å; A217-N220 PolarHBondContact O-N 2.88Å; N220-H222 PolarHBondContact O-N 3.17Å; N220-R223 HydrophobicContact CB-CB 4.16Å; N220-R223 PolarHBondContact O-N 2.83Å; N220-R223 WeakPolarHBondContact OD1-CD 3.43Å; N220-R223 PolarHBondContact OD1-NH1 3.18Å; N220-I224 HydrophobicContact CB-CG1 4.2Å; N220-I224 WeakPolarHBondContact O-CG1 3.34Å; N220-I224 PolarHBondContact O-N 3.33Å
221P95.5Very high98.1Very high54 Ų5424.3 Ų24.335%0.35112%0.121SC..THydrogen-bonded Turntrans-61.7-23.8-169.625.8-35.9000114.5V219 M272V219-P221 WeakPolarHBondContact O-CD 3.45Å; P221-M272 HydrophobicContact CB-CE 4.06Å
222H94.4Very high98Very high187 Ų18724.2 Ų24.287%0.86612%0.121SC*.THydrogen-bonded Turntrans-91.8-13.6179.6-57.4-64.3000114.1N220N220-H222 PolarHBondContact O-N 3.17Å
223R95.9Very high98Very high78 Ų7824.6 Ų24.629%0.29412%0.122SC..THydrogen-bonded Turntrans-98.4-16.7-178.2-62.1175.273-1727.3112.1L187 D188 M191 N220L187-R223 HydrophobicContact CD2-CB 4.45Å; D188-R223 IonicContact OD1-CZ 2.74Å; D188-R223 VanDerWaalsContact OD1-CZ 3.32Å; D188-R223 IonicContact OD1-NH1 3.69Å; D188-R223 PolarHBondContact OD1-NH1 3.01Å; D188-R223 IonicContact OD1-NH2 2.99Å; D188-R223 PolarHBondContact OD1-NH2 3.15Å; M191-R223 HydrophobicContact CE-CB 4.02Å; M191-R223 WeakPolarHBondContact CE-O 3.44Å; N220-R223 HydrophobicContact CB-CB 4.16Å; N220-R223 PolarHBondContact O-N 2.83Å; N220-R223 WeakPolarHBondContact OD1-CD 3.43Å; N220-R223 PolarHBondContact OD1-NH1 3.18Å
224I98Very high98Very high8 Ų825 Ų254%0.04113%0.125CC..  trans-105.8122-174.7-56.6-49.7000110L187 V201 L203 A217 N220 A226 I227 M272L187-I224 HydrophobicContact CD1-CD1 3.79Å; L187-I224 HydrophobicContact CD2-CD1 4.05Å; V201-I224 HydrophobicContact CG1-CD1 4.1Å; L203-I224 HydrophobicContact CD1-CD1 4.08Å; L203-I224 HydrophobicContact CD1-CG1 4.11Å; L203-I224 HydrophobicContact CD1-CG2 4.07Å; L203-I224 HydrophobicContact CD2-CD1 3.74Å; L203-I224 HydrophobicContact CG-CD1 4.02Å; L203-I224 HydrophobicContact CG-CG1 4.37Å; L203-I224 HydrophobicContact CG-CG2 3.81Å; A217-I224 HydrophobicContact CB-CG2 4.37Å; N220-I224 HydrophobicContact CB-CG1 4.2Å; N220-I224 WeakPolarHBondContact O-CG1 3.34Å; N220-I224 PolarHBondContact O-N 3.33Å; I224-A226 WeakPolarHBondContact CG2-O 3.17Å; I224-I227 HydrophobicContact CG2-CG2 4.08Å; I224-M272 HydrophobicContact CG2-CG 4.29Å
225A97.5Very high98Very high11 Ų1125 Ų259%0.09113%0.125CC..SBendtrans-77.7-39178.600000112K200 V201 P273K200-A225 HydrophobicContact CB-CB 3.9Å; V201-A225 WeakPolarHBondContact O-CB 3.26Å; V201-A225 PolarHBondContact O-N 2.92Å; A225-P273 WeakPolarHBondContact O-CD 3.35Å
226A98.4Very high97.9Very high0 Ų023.5 Ų23.50%012%0.121CC..EExtended strand (participates in β ladder)trans-160.1164.7177.700000112.5V202 L203 I224 P273 F328 L332V202-A226 WeakPolarHBondContact CA-O 3.26Å; V202-A226 HydrophobicContact CG1-CB 4.19Å; V202-A226 HydrophobicContact CG2-CB 4.19Å; L203-A226 PolarHBondContact N-O 3.21Å; I224-A226 WeakPolarHBondContact CG2-O 3.17Å; A226-P273 VanDerWaalsContact CA-O 3.25Å; A226-P273 WeakPolarHBondContact CA-O 3.37Å; A226-P273 HydrophobicContact CB-CB 4.3Å; A226-P273 WeakPolarHBondContact CB-O 3.41Å; A226-F328 HydrophobicContact CB-CE1 3.94Å; A226-F328 HydrophobicContact CB-CZ 3.91Å; A226-L332 HydrophobicContact CB-CD1 3.99Å; A226-L332 HydrophobicContact CB-CD2 3.62Å; A226-L332 HydrophobicContact CB-CG 4.44Å
227I98.7Very high97.9Very high0 Ų023.9 Ų23.90%012%0.123CC..EExtended strand (participates in β ladder)trans-123.2141.1169.864.8176.5000111.3L203 V214 A217 I224 V229 C270 M272 P273 S274 L275L203-I227 HydrophobicContact CB-CG2 4.13Å; L203-I227 HydrophobicContact CD1-CG2 4.16Å; L203-I227 HydrophobicContact CG-CG2 4.31Å; L203-I227 CarbonylContact O-C 3.59Å; L203-I227 WeakPolarHBondContact O-CA 3.27Å; V214-I227 HydrophobicContact CG2-CD1 4.34Å; A217-I227 HydrophobicContact CB-CG2 3.51Å; I224-I227 HydrophobicContact CG2-CG2 4.08Å; I227-V229 HydrophobicContact CB-CG2 4.47Å; I227-V229 HydrophobicContact CD1-CG2 4.19Å; I227-V229 HydrophobicContact CG1-CG2 4.39Å; I227-C270 HydrophobicContact CD1-CB 4.24Å; I227-M272 HydrophobicContact CG2-CG 4.35Å; I227-M272 HydrophobicContact CG2-SD 4.5Å; I227-P273 PolarHBondContact N-O 3.37Å; I227-S274 WeakPolarHBondContact CD1-OG 3.43Å; I227-S274 VanDerWaalsContact CG1-OG 3.28Å; I227-S274 WeakPolarHBondContact CG1-OG 3.39Å; I227-S274 CarbonylContact O-C 3.57Å; I227-S274 WeakPolarHBondContact O-CA 3.22Å; I227-L275 PolarHBondContact O-N 3.26Å
228I98.8Very high97.8Very high0 Ų027.4 Ų27.40%014%0.14CC..EExtended strand (participates in β ladder)trans-122.5114.3171-54.9175.8000106.8V202 L203 F204 G205 L275 V277 L325 F328 M329V202-I228 HydrophobicContact CG1-CD1 4.06Å; V202-I228 HydrophobicContact CG1-CG1 4.12Å; L203-I228 PolarHBondContact O-N 3Å; F204-I228 WeakPolarHBondContact CA-O 3.43Å; F204-I228 HydrophobicContact CD2-CB 3.9Å; F204-I228 HydrophobicContact CD2-CG2 3.64Å; F204-I228 HydrophobicContact CE2-CG2 3.95Å; G205-I228 PolarHBondContact N-O 3.16Å; I228-L275 CarbonylContact C-O 3.58Å; I228-L275 WeakPolarHBondContact CA-O 3.29Å; I228-L275 HydrophobicContact CG1-CB 4.22Å; I228-L275 HydrophobicContact CG1-CD2 4.45Å; I228-L275 HydrophobicContact CG2-CB 4.38Å; I228-L275 HydrophobicContact CG2-CD2 4.07Å; I228-L275 HydrophobicContact CG2-CG 4.35Å; I228-V277 HydrophobicContact CG2-CG2 4.17Å; I228-L325 HydrophobicContact CD1-CG 4.44Å; I228-F328 HydrophobicContact CD1-CD1 4.17Å; I228-F328 HydrophobicContact CD1-CE1 4.29Å; I228-F328 HydrophobicContact CG1-CD1 4.09Å; I228-F328 HydrophobicContact CG1-CE1 3.82Å; I228-M329 HydrophobicContact CD1-SD 4.43Å
229V98.8Very high97.7Very high0 Ų027.6 Ų27.60%014%0.139CC..EExtended strand (participates in β ladder)trans-117.2120.1-174.7-174.80000108.5V214 I227 T232 L275 F276 V277 M290V214-V229 HydrophobicContact CG2-CG1 4.41Å; V214-V229 HydrophobicContact CG2-CG2 3.63Å; I227-V229 HydrophobicContact CB-CG2 4.47Å; I227-V229 HydrophobicContact CD1-CG2 4.19Å; I227-V229 HydrophobicContact CG1-CG2 4.39Å; V229-T232 VanDerWaalsContact CG1-CB 3.49Å; V229-T232 HydrophobicContact CG1-CG2 3.93Å; V229-T232 VanDerWaalsContact CG1-OG1 3.3Å; V229-T232 WeakPolarHBondContact CG1-OG1 3.45Å; V229-L275 PolarHBondContact N-O 3.49Å; V229-F276 HydrophobicContact CB-CD1 4.4Å; V229-F276 WeakPolarHBondContact O-CA 3.39Å; V229-V277 PolarHBondContact O-N 3.15Å; V229-M290 HydrophobicContact CG1-CE 4.07Å; V229-M290 HydrophobicContact CG1-SD 4.45Å; V229-M290 WeakPolarHBondContact O-CE 3.42Å
230E98.8Very high97.5Very high0 Ų024.8 Ų24.80%012%0.123CC..EExtended strand (participates in β ladder)trans-115.3133.5-176.5-178.7-18062.100111F204 G205 R206 S207 T232 V277 M290 Y321F204-E230 HydrophobicContact CE2-CB 4.38Å; F204-E230 HydrophobicContact CZ-CB 4.23Å; G205-E230 PolarHBondContact O-N 2.96Å; R206-E230 WeakPolarHBondContact CA-O 3.42Å; R206-E230 IonicContact CZ-OE1 2.56Å; R206-E230 IonicContact NE-OE1 3.58Å; R206-E230 PolarHBondContact NE-OE1 3.18Å; R206-E230 IonicContact NH2-OE1 3.5Å; R206-E230 PolarHBondContact NH2-OE1 3.15Å; R206-E230 IonicContact NH2-OE2 3.62Å; S207-E230 PolarHBondContact N-O 3.36Å; E230-T232 VanDerWaalsContact C-N 3.33Å; E230-T232 PolarHBondContact O-N 3.31Å; E230-T232 VanDerWaalsContact O-N 3.12Å; E230-T232 PolarHBondContact O-OG1 3.2Å; E230-V277 WeakPolarHBondContact CA-O 3.34Å; E230-V277 HydrophobicContact CB-CB 4.11Å; E230-V277 HydrophobicContact CG-CB 4.14Å; E230-V277 HydrophobicContact CG-CG1 4.06Å; E230-M290 VanDerWaalsContact C-CE 3.43Å; E230-Y321 WeakPolarHBondContact OE2-CE2 3.49Å; E230-Y321 PolarHBondContact OE2-OH 3.41Å
231N98.4Very high97.4Very high2 Ų224.7 Ų24.71%0.01113%0.125CC..SBendtrans36.760174.6-65.9-16.2000113S207 V277 G279 D282 I285 T311 H312 T315S207-N231 WeakPolarHBondContact CA-O 3.27Å; S207-N231 PolarHBondContact N-O 2.8Å; N231-V277 PolarHBondContact N-O 3.35Å; N231-G279 PolarHBondContact OD1-N 3.03Å; N231-D282 WeakPolarHBondContact CB-OD2 3.37Å; N231-I285 WeakPolarHBondContact O-CD1 3.48Å; N231-T311 PolarHBondContact ND2-O 3.18Å; N231-H312 PolarHBondContact ND2-O 3.2Å; N231-H312 PolarHBondContact O-CE1 3.01Å; N231-T315 PolarHBondContact ND2-OG1 2.87Å
232T98.4Very high97.3Very high0 Ų025.1 Ų25.10%013%0.127CC..  trans-118155.8-172.9-63.30000110.1S207 G210 V229 E230 L293S207-T232 PolarHBondContact N-OG1 2.72Å; S207-T232 WeakPolarHBondContact O-CG2 3.48Å; S207-T232 PolarHBondContact O-OG1 2.9Å; G210-T232 WeakPolarHBondContact CA-OG1 3.4Å; V229-T232 VanDerWaalsContact CG1-CB 3.49Å; V229-T232 HydrophobicContact CG1-CG2 3.93Å; V229-T232 VanDerWaalsContact CG1-OG1 3.3Å; V229-T232 WeakPolarHBondContact CG1-OG1 3.45Å; E230-T232 VanDerWaalsContact C-N 3.33Å; E230-T232 PolarHBondContact O-N 3.31Å; E230-T232 VanDerWaalsContact O-N 3.12Å; E230-T232 PolarHBondContact O-OG1 3.2Å; T232-L293 HydrophobicContact CG2-CD1 4.14Å
233F98.5Very high97.2Very high8 Ų821 Ų214%0.03511%0.111CC..  trans-103.8160.2-173.254.4-93.4000113.1L208 A211 S235 I236 M239 F261 S263 I285 M289L208-F233 HydrophobicContact CD1-CZ 4.38Å; A211-F233 HydrophobicContact CB-CE2 4.29Å; A211-F233 HydrophobicContact CB-CZ 4.02Å; F233-S235 VanDerWaalsContact CD2-C 3.44Å; F233-I236 HydrophobicContact CD2-CD1 4.47Å; F233-I236 HydrophobicContact CE1-CD1 4.41Å; F233-I236 HydrophobicContact CE2-CD1 3.71Å; F233-I236 HydrophobicContact CE2-CG1 4.09Å; F233-I236 HydrophobicContact CZ-CD1 3.67Å; F233-I236 HydrophobicContact CZ-CG1 4.37Å; F233-M239 HydrophobicContact CB-CG 3.5Å; F233-M239 HydrophobicContact CB-SD 3.64Å; F233-M239 HydrophobicContact CD2-CG 4.14Å; F233-M239 HydrophobicContact CG-CG 3.81Å; F233-M239 HydrophobicContact CG-SD 4.48Å; F233-F261 HydrophobicContact CE2-CB 3.68Å; F233-F261 HydrophobicContact CZ-CB 3.95Å; F233-F261 HydrophobicContact CZ-CG 4.39Å; F233-S263 VanDerWaalsContact O-CB 3.28Å; F233-S263 WeakPolarHBondContact O-CB 3.44Å; F233-S263 PolarHBondContact O-OG 2.82Å; F233-I285 HydrophobicContact CB-CD1 4.08Å; F233-I285 HydrophobicContact CB-CG2 4.07Å; F233-I285 HydrophobicContact CD1-CD1 3.66Å; F233-I285 HydrophobicContact CG-CD1 4.34Å; F233-M289 HydrophobicContact CB-SD 3.95Å
234L98.5Very high96.9Very high9 Ų921.2 Ų21.25%0.04711%0.114CC..SBendtrans-64.5-47.7176.5-74.5177.1000112.9H238 S263 Y264 M289 Q292 L293 L296L234-H238 HydrophobicContact CB-CB 4.03Å; L234-S263 WeakPolarHBondContact O-CB 3.11Å; L234-S263 PolarHBondContact O-N 3.07Å; L234-S263 VanDerWaalsContact O-N 3.08Å; L234-Y264 WeakPolarHBondContact O-CD1 3.29Å; L234-Y264 PolarHBondContact O-N 3.17Å; L234-M289 HydrophobicContact CB-SD 4.44Å; L234-M289 HydrophobicContact CG-CB 4.21Å; L234-M289 HydrophobicContact CG-CG 4.32Å; L234-Q292 HydrophobicContact CD1-CB 4.3Å; L234-Q292 HydrophobicContact CD2-CB 3.9Å; L234-Q292 HydrophobicContact CG-CB 4.43Å; L234-L293 HydrophobicContact CD2-CD2 3.79Å; L234-L293 HydrophobicContact CD2-CG 3.9Å; L234-L296 HydrophobicContact CD2-CD1 4.1Å
235S98.5Very high96.6Very high0 Ų025.4 Ų25.40%014%0.144CC..  trans-171.2166.5171.460.70000110.9F233 H238 M239 Q260 F261F233-S235 VanDerWaalsContact CD2-C 3.44Å; S235-H238 PolarHBondContact O-N 2.88Å; S235-H238 PolarHBondContact OG-N 2.9Å; S235-H238 PolarHBondContact OG-ND1 3.39Å; S235-M239 PolarHBondContact O-N 3.17Å; S235-Q260 WeakPolarHBondContact CB-O 3.48Å; S235-F261 VanDerWaalsContact CA-O 3.23Å; S235-F261 WeakPolarHBondContact CA-O 3.35Å; S235-F261 WeakPolarHBondContact CB-O 3.4Å
236I97.6Very high96.3Very high29 Ų2932.4 Ų32.415%0.14917%0.173CC..Hα-helixtrans-59.5-43.3173.6-61.4-58.6000112.1L65 F233 H238 M239 A240 Y257 N259 Q260 F261L65-I236 HydrophobicContact CD1-CD1 3.66Å; L65-I236 HydrophobicContact CD2-CD1 4.15Å; L65-I236 HydrophobicContact CD2-CG1 4.32Å; F233-I236 HydrophobicContact CD2-CD1 4.47Å; F233-I236 HydrophobicContact CE1-CD1 4.41Å; F233-I236 HydrophobicContact CE2-CD1 3.71Å; F233-I236 HydrophobicContact CE2-CG1 4.09Å; F233-I236 HydrophobicContact CZ-CD1 3.67Å; F233-I236 HydrophobicContact CZ-CG1 4.37Å; I236-H238 VanDerWaalsContact C-N 3.28Å; I236-H238 PolarHBondContact O-N 3.07Å; I236-M239 PolarHBondContact O-N 3.25Å; I236-A240 WeakPolarHBondContact O-CB 3.08Å; I236-A240 PolarHBondContact O-N 3.32Å; I236-Y257 HydrophobicContact CG2-CD1 4.39Å; I236-N259 WeakPolarHBondContact CB-O 3.46Å; I236-N259 WeakPolarHBondContact CG2-O 3.43Å; I236-Q260 PolarHBondContact N-O 3.19Å; I236-F261 HydrophobicContact CD1-CD2 4.42Å; I236-F261 HydrophobicContact CG1-CB 4.22Å; I236-F261 HydrophobicContact CG1-CD2 3.87Å
237P97.2Very high95.9Very high11 Ų1136.4 Ų36.47%0.07119%0.194CC..Hα-helixtrans-57.3-37.9173-28.435.2000114.1A241 F254 Y257 Q260P237-A241 WeakPolarHBondContact O-CB 3.38Å; P237-A241 PolarHBondContact O-N 2.97Å; P237-F254 HydrophobicContact CB-CE1 4.17Å; P237-F254 HydrophobicContact CG-CD1 3.96Å; P237-F254 HydrophobicContact CG-CE1 3.94Å; P237-Y257 HydrophobicContact CB-CD1 4.41Å; P237-Y257 HydrophobicContact CB-CD2 4.28Å; P237-Y257 HydrophobicContact CB-CE1 4.07Å; P237-Y257 HydrophobicContact CB-CE2 3.93Å; P237-Y257 HydrophobicContact CB-CG 4.5Å; P237-Y257 HydrophobicContact CG-CD1 3.97Å; P237-Y257 HydrophobicContact CG-CD2 3.84Å; P237-Y257 HydrophobicContact CG-CE1 4.15Å; P237-Y257 HydrophobicContact CG-CE2 4.01Å; P237-Y257 HydrophobicContact CG-CG 3.8Å; P237-Q260 WeakPolarHBondContact CD-O 3.13Å
238H97.3Very high95.6Very high75 Ų7540.7 Ų40.735%0.34722%0.221SC..Hα-helixtrans-69.6-42.4176.2-7572.6000111.4L234 S235 I236 A241 T242 M289L234-H238 HydrophobicContact CB-CB 4.03Å; S235-H238 PolarHBondContact O-N 2.88Å; S235-H238 PolarHBondContact OG-N 2.9Å; S235-H238 PolarHBondContact OG-ND1 3.39Å; I236-H238 VanDerWaalsContact C-N 3.28Å; I236-H238 PolarHBondContact O-N 3.07Å; H238-A241 PolarHBondContact O-N 3.39Å; H238-T242 PolarHBondContact O-N 2.84Å; H238-T242 PolarHBondContact O-OG1 3.07Å; H238-M289 HydrophobicContact CB-CE 4.24Å
239M96.3Very high95.2Very high18 Ų1842.5 Ų42.59%0.08923%0.23CC..Hα-helixtrans-59.8-46.7173.5-75.6-57.7-57.600111.8F233 S235 I236 A241 T242 L243 L284 I285 M289F233-M239 HydrophobicContact CB-CG 3.5Å; F233-M239 HydrophobicContact CB-SD 3.64Å; F233-M239 HydrophobicContact CD2-CG 4.14Å; F233-M239 HydrophobicContact CG-CG 3.81Å; F233-M239 HydrophobicContact CG-SD 4.48Å; S235-M239 PolarHBondContact O-N 3.17Å; I236-M239 PolarHBondContact O-N 3.25Å; M239-A241 VanDerWaalsContact C-N 3.31Å; M239-A241 PolarHBondContact O-N 3.21Å; M239-T242 PolarHBondContact O-N 2.88Å; M239-L243 HydrophobicContact CE-CD1 4.16Å; M239-L243 HydrophobicContact CE-CG 4.3Å; M239-L243 WeakPolarHBondContact O-CG 3.37Å; M239-L243 PolarHBondContact O-N 3.06Å; M239-L284 VanDerWaalsContact CE-O 3.26Å; M239-L284 WeakPolarHBondContact CE-O 3.34Å; M239-I285 HydrophobicContact CE-CG1 4.05Å; M239-I285 HydrophobicContact SD-CG1 4.27Å; M239-I285 HydrophobicContact SD-CG2 4.13Å; M239-M289 HydrophobicContact CG-CE 4.45Å; M239-M289 HydrophobicContact CG-SD 4.28Å; M239-M289 HydrophobicContact SD-CE 3.63Å; M239-M289 HydrophobicContact SD-SD 3.47Å
240A94.8Very high94.8Very high12 Ų1253.1 Ų53.110%0.09927%0.27CS..Hα-helixtrans-60.1-41.6177.800000111.6I236 T242 F244 M249 Y257I236-A240 WeakPolarHBondContact O-CB 3.08Å; I236-A240 PolarHBondContact O-N 3.32Å; A240-T242 VanDerWaalsContact C-N 3.27Å; A240-T242 PolarHBondContact O-N 2.84Å; A240-F244 HydrophobicContact CB-CD2 4.39Å; A240-F244 WeakPolarHBondContact O-CB 3.32Å; A240-F244 WeakPolarHBondContact O-CD2 3.45Å; A240-F244 PolarHBondContact O-N 3.21Å; A240-M249 HydrophobicContact CB-CE 3.87Å; A240-Y257 HydrophobicContact CB-CE1 3.88Å
241A95.1Very high94.4Very high16 Ų1660 Ų6013%0.13231%0.306CS..Hα-helixtrans-66.5-26.2175.100000114P237 H238 M239 M249 R250P237-A241 WeakPolarHBondContact O-CB 3.38Å; P237-A241 PolarHBondContact O-N 2.97Å; H238-A241 PolarHBondContact O-N 3.39Å; M239-A241 VanDerWaalsContact C-N 3.31Å; M239-A241 PolarHBondContact O-N 3.21Å; A241-M249 HydrophobicContact CB-CB 4.14Å; A241-R250 HydrophobicContact CB-CG 3.86Å
242T93.8Very high94.2Very high64 Ų6463.2 Ų63.239%0.39332%0.323SS..Hα-helixtrans-81.5-46.5174.3-59.50000112H238 M239 A240 P286 M289H238-T242 PolarHBondContact O-N 2.84Å; H238-T242 PolarHBondContact O-OG1 3.07Å; M239-T242 PolarHBondContact O-N 2.88Å; A240-T242 VanDerWaalsContact C-N 3.27Å; A240-T242 PolarHBondContact O-N 2.84Å; T242-P286 HydrophobicContact CG2-CG 3.64Å; T242-M289 WeakPolarHBondContact OG1-CE 3.35Å
243L91.3Very high93.9Very high101 Ų10165.8 Ų65.853%0.52934%0.34SS..Hα-helixtrans-70.6-38.9-178-66.1175.4000112.4M239M239-L243 HydrophobicContact CE-CD1 4.16Å; M239-L243 HydrophobicContact CE-CG 4.3Å; M239-L243 WeakPolarHBondContact O-CG 3.37Å; M239-L243 PolarHBondContact O-N 3.06Å
244F91.3Very high93.6Very high82 Ų8269.5 Ų69.536%0.3636%0.356SS..THydrogen-bonded Turntrans-108.348.8-179.9-53.1-74000111.2A240 F246 L247 M249A240-F244 HydrophobicContact CB-CD2 4.39Å; A240-F244 WeakPolarHBondContact O-CB 3.32Å; A240-F244 WeakPolarHBondContact O-CD2 3.45Å; A240-F244 PolarHBondContact O-N 3.21Å; F244-F246 HydrophobicContact CB-CE1 4.26Å; F244-F246 AromaticContact CD1-CE1 3.94Å; F244-F246 HydrophobicContact CD1-CE1 3.94Å; F244-F246 AromaticContact CD1-CZ 3.92Å; F244-F246 HydrophobicContact CD1-CZ 3.92Å; F244-F246 PolarHBondContact O-N 3.43Å; F244-F246 VanDerWaalsContact O-N 3.11Å; F244-L247 HydrophobicContact CB-CB 4.46Å; F244-L247 HydrophobicContact CB-CD1 4.37Å; F244-L247 PolarHBondContact O-N 3.24Å; F244-L247 VanDerWaalsContact O-O 3.14Å; F244-M249 HydrophobicContact CB-CG 3.84Å; F244-M249 HydrophobicContact CB-SD 4.5Å
245S90.7Very high93.3Very high96 Ų9678.4 Ų78.467%0.67139%0.389SS*.THydrogen-bonded Turntrans-61.1-19.1-178.260.60000114.2L247S245-L247 VanDerWaalsContact C-N 3.3Å
246F91.8Very high93Very high158 Ų15879.5 Ų79.569%0.69340%0.397SS*.THydrogen-bonded Turntrans-77.4-12.1173.464.5-88000113.7F244F244-F246 HydrophobicContact CB-CE1 4.26Å; F244-F246 AromaticContact CD1-CE1 3.94Å; F244-F246 HydrophobicContact CD1-CE1 3.94Å; F244-F246 AromaticContact CD1-CZ 3.92Å; F244-F246 HydrophobicContact CD1-CZ 3.92Å; F244-F246 PolarHBondContact O-N 3.43Å; F244-F246 VanDerWaalsContact O-N 3.11Å
247L90.4Very high92.9Very high84 Ų8478.7 Ų78.744%0.4439%0.392SS..THydrogen-bonded Turntrans-107.5151173.8-67.7173.4000110.3F244 S245 M249F244-L247 HydrophobicContact CB-CB 4.46Å; F244-L247 HydrophobicContact CB-CD1 4.37Å; F244-L247 PolarHBondContact O-N 3.24Å; F244-L247 VanDerWaalsContact O-O 3.14Å; S245-L247 VanDerWaalsContact C-N 3.3Å; L247-M249 HydrophobicContact CB-CG 4.05Å; L247-M249 HydrophobicContact CB-SD 4.08Å; L247-M249 HydrophobicContact CD1-SD 4.44Å; L247-M249 PolarHBondContact O-N 3.14Å
248P90.9Very high92.8Very high90 Ų9080.4 Ų80.458%0.58440%0.398SS*.THydrogen-bonded Turntrans-76.249.5178.433.7-36.7000112.4R250 L251P248-R250 PolarHBondContact O-N 2.88Å; P248-R250 VanDerWaalsContact O-N 3.07Å; P248-L251 HydrophobicContact CB-CD1 3.97Å; P248-L251 HydrophobicContact CB-CG 4.21Å; P248-L251 WeakPolarHBondContact O-CB 3.27Å; P248-L251 PolarHBondContact O-N 3.03Å
249M91.2Very high92.8Very high37 Ų3777 Ų7718%0.18238%0.383CS..G310 helixtrans-58.2-26.4-176.8-64.2-54-74.100113.3A240 A241 F244 L247 L251 L252 Y257A240-M249 HydrophobicContact CB-CE 3.87Å; A241-M249 HydrophobicContact CB-CB 4.14Å; F244-M249 HydrophobicContact CB-CG 3.84Å; F244-M249 HydrophobicContact CB-SD 4.5Å; L247-M249 HydrophobicContact CB-CG 4.05Å; L247-M249 HydrophobicContact CB-SD 4.08Å; L247-M249 HydrophobicContact CD1-SD 4.44Å; L247-M249 PolarHBondContact O-N 3.14Å; M249-L251 PolarHBondContact O-N 3.31Å; M249-L252 HydrophobicContact CE-CD2 4.15Å; M249-L252 WeakPolarHBondContact O-CB 3.35Å; M249-L252 PolarHBondContact O-N 3.38Å; M249-Y257 HydrophobicContact CE-CE1 4.3Å; M249-Y257 PolarHBondContact O-OH 3.15Å
250R89.5Confident92.9Very high223 Ų22378.3 Ų78.384%0.84239%0.389SS*.G310 helixtrans-66.1-22.3175-64.7-175.3-178.7179.70.8113.5A241 P248A241-R250 HydrophobicContact CB-CG 3.86Å; P248-R250 PolarHBondContact O-N 2.88Å; P248-R250 VanDerWaalsContact O-N 3.07Å
251L91.7Very high93Very high144 Ų14477.8 Ų77.875%0.75438%0.384SS*.G310 helixtrans-88.3-12176.7-56.3-176.1000112.2P248 M249 P253P248-L251 HydrophobicContact CB-CD1 3.97Å; P248-L251 HydrophobicContact CB-CG 4.21Å; P248-L251 WeakPolarHBondContact O-CB 3.27Å; P248-L251 PolarHBondContact O-N 3.03Å; M249-L251 PolarHBondContact O-N 3.31Å; L251-P253 WeakPolarHBondContact O-CD 3.45Å
252L93.1Very high93.2Very high70 Ų7077.9 Ų77.937%0.36638%0.382SS..SBendtrans-72.2124-177.3-165.669.7000109.9M249 C256 Y257M249-L252 HydrophobicContact CE-CD2 4.15Å; M249-L252 WeakPolarHBondContact O-CB 3.35Å; M249-L252 PolarHBondContact O-N 3.38Å; L252-C256 HydrophobicContact CD1-CB 3.87Å; L252-C256 HydrophobicContact CD2-CB 3.64Å; L252-C256 HydrophobicContact CG-CB 3.56Å; L252-Y257 HydrophobicContact CB-CE2 4.12Å; L252-Y257 HydrophobicContact CD2-CD2 4.49Å; L252-Y257 HydrophobicContact CD2-CE1 4.42Å; L252-Y257 HydrophobicContact CD2-CE2 3.85Å; L252-Y257 HydrophobicContact CG-CE2 4.15Å
253P93.2Very high93.4Very high54 Ų5474.9 Ų74.935%0.35136%0.364SS..  trans-60150.5177.7-25.535000113.2L251 W255 C256L251-P253 WeakPolarHBondContact O-CD 3.45Å; P253-W255 VanDerWaalsContact CB-CD1 3.42Å; P253-W255 HydrophobicContact CB-CD2 4.23Å; P253-W255 HydrophobicContact CB-CG 4.1Å; P253-W255 HydrophobicContact CB-CZ2 4.27Å; P253-W255 HydrophobicContact CG-CZ2 4.07Å; P253-W255 PolarHBondContact O-N 3.34Å; P253-W255 VanDerWaalsContact O-N 3.15Å; P253-C256 WeakPolarHBondContact O-CB 3.49Å; P253-C256 PolarHBondContact O-N 3.41Å
254F91.9Very high93.8Very high87 Ų8772.5 Ų72.538%0.38235%0.348SS..G310 helixtrans-56.3-33.4179.5-76.5-65000113.6P237 C256 Y257 Q260 L262P237-F254 HydrophobicContact CB-CE1 4.17Å; P237-F254 HydrophobicContact CG-CD1 3.96Å; P237-F254 HydrophobicContact CG-CE1 3.94Å; F254-C256 PolarHBondContact O-N 2.74Å; F254-Y257 PolarHBondContact O-N 2.8Å; F254-Q260 PolarHBondContact O-NE2 3.47Å; F254-L262 HydrophobicContact CE1-CD2 4.2Å
255W91.7Very high94.1Very high196 Ų19674.7 Ų74.774%0.74235%0.354SS*.G310 helixtrans-67-14179.459.5-100.8000113.8P253 Y257P253-W255 VanDerWaalsContact CB-CD1 3.42Å; P253-W255 HydrophobicContact CB-CD2 4.23Å; P253-W255 HydrophobicContact CB-CG 4.1Å; P253-W255 HydrophobicContact CB-CZ2 4.27Å; P253-W255 HydrophobicContact CG-CZ2 4.07Å; P253-W255 PolarHBondContact O-N 3.34Å; P253-W255 VanDerWaalsContact O-N 3.15Å; W255-Y257 VanDerWaalsContact C-N 3.29Å
256C93.3Very high94.5Very high23 Ų2371.8 Ų71.816%0.15533%0.33CS..G310 helixtrans-77.9-16.2172.2-56.60000112.9Q61 L252 P253 F254Q61-C256 PolarHBondContact NE2-O 3.35Å; L252-C256 HydrophobicContact CD1-CB 3.87Å; L252-C256 HydrophobicContact CD2-CB 3.64Å; L252-C256 HydrophobicContact CG-CB 3.56Å; P253-C256 WeakPolarHBondContact O-CB 3.49Å; P253-C256 PolarHBondContact O-N 3.41Å; F254-C256 PolarHBondContact O-N 2.74Å
257Y95.2Very high94.8Very high11 Ų1164.2 Ų64.24%0.04330%0.297CS..  trans-93.6118.8176.5-61.9-90.8000109I236 P237 A240 M249 L252 F254 W255I236-Y257 HydrophobicContact CG2-CD1 4.39Å; P237-Y257 HydrophobicContact CB-CD1 4.41Å; P237-Y257 HydrophobicContact CB-CD2 4.28Å; P237-Y257 HydrophobicContact CB-CE1 4.07Å; P237-Y257 HydrophobicContact CB-CE2 3.93Å; P237-Y257 HydrophobicContact CB-CG 4.5Å; P237-Y257 HydrophobicContact CG-CD1 3.97Å; P237-Y257 HydrophobicContact CG-CD2 3.84Å; P237-Y257 HydrophobicContact CG-CE1 4.15Å; P237-Y257 HydrophobicContact CG-CE2 4.01Å; P237-Y257 HydrophobicContact CG-CG 3.8Å; A240-Y257 HydrophobicContact CB-CE1 3.88Å; M249-Y257 HydrophobicContact CE-CE1 4.3Å; M249-Y257 PolarHBondContact O-OH 3.15Å; L252-Y257 HydrophobicContact CB-CE2 4.12Å; L252-Y257 HydrophobicContact CD2-CD2 4.49Å; L252-Y257 HydrophobicContact CD2-CE1 4.42Å; L252-Y257 HydrophobicContact CD2-CE2 3.85Å; L252-Y257 HydrophobicContact CG-CE2 4.15Å; F254-Y257 PolarHBondContact O-N 2.8Å; W255-Y257 VanDerWaalsContact C-N 3.29Å
258K95.1Very high95.1Very high48 Ų4861.7 Ų61.721%0.20929%0.288CS..SBendtrans-67.9-44.9176.9-176.9174.5176.2-168.80111.7Y58 Q61 D62Y58-K258 HydrophobicContact CD1-CB 4.14Å; Y58-K258 HydrophobicContact CD1-CD 4.04Å; Y58-K258 HydrophobicContact CD1-CG 4.23Å; Y58-K258 HydrophobicContact CD2-CB 4.11Å; Y58-K258 HydrophobicContact CE1-CB 3.73Å; Y58-K258 HydrophobicContact CE1-CD 3.77Å; Y58-K258 HydrophobicContact CE1-CG 3.59Å; Y58-K258 HydrophobicContact CE2-CB 3.71Å; Y58-K258 HydrophobicContact CE2-CG 4.42Å; Y58-K258 HydrophobicContact CG-CB 4.32Å; Y58-K258 VanDerWaalsContact CZ-CA 3.49Å; Y58-K258 WeakPolarHBondContact O-CD 3.24Å; Y58-K258 WeakPolarHBondContact OH-CA 3.34Å; Q61-K258 HydrophobicContact CB-CB 4.47Å; D62-K258 WeakPolarHBondContact OD1-CD 3.27Å; D62-K258 IonicContact OD1-NZ 3.21Å; D62-K258 IonicContact OD2-NZ 3.94Å; D62-K258 PolarHBondContact OD2-NZ 2.56Å
259N97.1Very high95.4Very high4 Ų462.2 Ų62.22%0.02129%0.285CS..  trans-117.4128.1173.9-52.2-74.7000108.3D62 L65 Y66 E176 I236 F261D62-N259 PolarHBondContact OD1-ND2 3.16Å; L65-N259 HydrophobicContact CD2-CB 3.73Å; Y66-N259 PolarHBondContact OH-OD1 3.26Å; E176-N259 HydrophobicContact CB-CB 4.13Å; E176-N259 WeakPolarHBondContact CB-OD1 3.21Å; E176-N259 PolarHBondContact N-OD1 2.82Å; E176-N259 WeakPolarHBondContact OE2-CA 3.44Å; I236-N259 WeakPolarHBondContact CB-O 3.46Å; I236-N259 WeakPolarHBondContact CG2-O 3.43Å; N259-F261 HydrophobicContact CB-CD2 4.03Å; N259-F261 HydrophobicContact CB-CE2 3.8Å
260Q97.4Very high95.7Very high45 Ų4560.5 Ų60.521%0.2128%0.276CS..  trans-109.6-41.1-173.9-63.2-178.13.500112E176 S235 I236 P237 F254 L262E176-Q260 PolarHBondContact OE2-N 3.39Å; S235-Q260 WeakPolarHBondContact CB-O 3.48Å; I236-Q260 PolarHBondContact N-O 3.19Å; P237-Q260 WeakPolarHBondContact CD-O 3.13Å; F254-Q260 PolarHBondContact O-NE2 3.47Å; Q260-L262 HydrophobicContact CB-CD2 3.85Å; Q260-L262 HydrophobicContact CB-CG 3.87Å; Q260-L262 PolarHBondContact O-N 3.07Å
261F98.3Very high96Very high0 Ų057.4 Ų57.40%027%0.265CS..  trans43.665-176.4-71.6-79.7000111.8L65 Y66 E176 L179 Y180 L208 A211 V212 F233 S235 I236 N259 S263L65-F261 HydrophobicContact CD2-CD2 4.2Å; L65-F261 HydrophobicContact CD2-CE2 3.79Å; Y66-F261 HydrophobicContact CE1-CE2 4.44Å; Y66-F261 HydrophobicContact CE1-CZ 4.42Å; Y66-F261 WeakPolarHBondContact OH-CE2 3.45Å; Y66-F261 WeakPolarHBondContact OH-CZ 3.44Å; E176-F261 HydrophobicContact CB-CD2 4.46Å; E176-F261 HydrophobicContact CB-CE1 4.28Å; E176-F261 HydrophobicContact CB-CE2 3.89Å; E176-F261 HydrophobicContact CB-CZ 3.78Å; E176-F261 VanDerWaalsContact CD-N 3.3Å; E176-F261 HydrophobicContact CG-CD1 4.11Å; E176-F261 HydrophobicContact CG-CD2 4.33Å; E176-F261 HydrophobicContact CG-CE1 3.9Å; E176-F261 HydrophobicContact CG-CE2 4.13Å; E176-F261 HydrophobicContact CG-CG 4.32Å; E176-F261 HydrophobicContact CG-CZ 3.91Å; E176-F261 WeakPolarHBondContact OE1-CA 3.25Å; E176-F261 PolarHBondContact OE1-N 3.4Å; E176-F261 PolarHBondContact OE2-N 2.85Å; L179-F261 HydrophobicContact CD2-CZ 4.22Å; Y180-F261 HydrophobicContact CE1-CD1 4Å; Y180-F261 AromaticContact CE1-CE1 3.91Å; Y180-F261 HydrophobicContact CE1-CE1 3.91Å; L208-F261 HydrophobicContact CD1-CD1 4.1Å; L208-F261 HydrophobicContact CD1-CD2 3.95Å; L208-F261 HydrophobicContact CD1-CE1 3.77Å; L208-F261 HydrophobicContact CD1-CE2 3.6Å; L208-F261 HydrophobicContact CD1-CG 4.19Å; L208-F261 HydrophobicContact CD1-CZ 3.51Å; A211-F261 HydrophobicContact CB-CB 3.94Å; A211-F261 HydrophobicContact CB-CD1 3.89Å; A211-F261 HydrophobicContact CB-CG 4.26Å; V212-F261 HydrophobicContact CG2-CE1 4.02Å; F233-F261 HydrophobicContact CE2-CB 3.68Å; F233-F261 HydrophobicContact CZ-CB 3.95Å; F233-F261 HydrophobicContact CZ-CG 4.39Å; S235-F261 VanDerWaalsContact CA-O 3.23Å; S235-F261 WeakPolarHBondContact CA-O 3.35Å; S235-F261 WeakPolarHBondContact CB-O 3.4Å; I236-F261 HydrophobicContact CD1-CD2 4.42Å; I236-F261 HydrophobicContact CG1-CB 4.22Å; I236-F261 HydrophobicContact CG1-CD2 3.87Å; N259-F261 HydrophobicContact CB-CD2 4.03Å; N259-F261 HydrophobicContact CB-CE2 3.8Å; F261-S263 PolarHBondContact O-N 3.19Å; F261-S263 PolarHBondContact O-OG 3.46Å
262L98.3Very high96.2Very high19 Ų1951.2 Ų51.210%0.09923%0.232CC..  trans-73.956.8-171.4-57.8177.4000113.6F254 Q260 Y264 R265 Q266F254-L262 HydrophobicContact CE1-CD2 4.2Å; Q260-L262 HydrophobicContact CB-CD2 3.85Å; Q260-L262 HydrophobicContact CB-CG 3.87Å; Q260-L262 PolarHBondContact O-N 3.07Å; L262-Y264 HydrophobicContact CB-CE1 4.31Å; L262-Y264 HydrophobicContact CD2-CE1 3.89Å; L262-Y264 PolarHBondContact O-N 2.77Å; L262-Y264 VanDerWaalsContact O-N 3.13Å; L262-R265 HydrophobicContact CB-CB 4.4Å; L262-R265 HydrophobicContact CB-CG 4.34Å; L262-R265 PolarHBondContact O-N 3.1Å; L262-Q266 PolarHBondContact O-N 3.25Å
263S98.6Very high96.4Very high1 Ų149 Ų491%0.00722%0.222CC..Hα-helixtrans-50-39.8-177.8-50.60000112.9A211 F233 L234 F261 R265 Q266 V267A211-S263 WeakPolarHBondContact CA-OG 3.36Å; A211-S263 WeakPolarHBondContact CB-OG 3.28Å; F233-S263 VanDerWaalsContact O-CB 3.28Å; F233-S263 WeakPolarHBondContact O-CB 3.44Å; F233-S263 PolarHBondContact O-OG 2.82Å; L234-S263 WeakPolarHBondContact O-CB 3.11Å; L234-S263 PolarHBondContact O-N 3.07Å; L234-S263 VanDerWaalsContact O-N 3.08Å; F261-S263 PolarHBondContact O-N 3.19Å; F261-S263 PolarHBondContact O-OG 3.46Å; S263-R265 VanDerWaalsContact C-N 3.26Å; S263-R265 PolarHBondContact O-N 3.29Å; S263-Q266 PolarHBondContact O-N 3.31Å; S263-Q266 VanDerWaalsContact O-N 3.16Å; S263-V267 WeakPolarHBondContact O-CB 3.34Å; S263-V267 WeakPolarHBondContact O-CG1 3.42Å; S263-V267 PolarHBondContact O-N 3.37Å
264Y98.5Very high96.7Very high50 Ų5046.5 Ų46.520%0.19621%0.206CC..Hα-helixtrans-61-31.2179.382-90.4000113.6L234 L262L234-Y264 WeakPolarHBondContact O-CD1 3.29Å; L234-Y264 PolarHBondContact O-N 3.17Å; L262-Y264 HydrophobicContact CB-CE1 4.31Å; L262-Y264 HydrophobicContact CD2-CE1 3.89Å; L262-Y264 PolarHBondContact O-N 2.77Å; L262-Y264 VanDerWaalsContact O-N 3.13Å
265R98.1Very high97Very high129 Ų12942.5 Ų42.549%0.48719%0.188SC..Hα-helixtrans-78.8-42174.5-64.9-168.5177.9177.7-3.6110.9L262 S263L262-R265 HydrophobicContact CB-CB 4.4Å; L262-R265 HydrophobicContact CB-CG 4.34Å; L262-R265 PolarHBondContact O-N 3.1Å; S263-R265 VanDerWaalsContact C-N 3.26Å; S263-R265 PolarHBondContact O-N 3.29Å
266Q98.4Very high97.4Very high34 Ų3433.2 Ų33.216%0.15915%0.153CC..Hα-helixtrans-70-39.4-175-58-57.5-13.400111.6V214 R215 S218 L262 S263 A268 L269 C270V214-Q266 HydrophobicContact CG1-CB 3.67Å; R215-Q266 HydrophobicContact CB-CG 4.46Å; R215-Q266 VanDerWaalsContact CD-CD 3.49Å; S218-Q266 PolarHBondContact OG-OE1 2.97Å; L262-Q266 PolarHBondContact O-N 3.25Å; S263-Q266 PolarHBondContact O-N 3.31Å; S263-Q266 VanDerWaalsContact O-N 3.16Å; Q266-A268 VanDerWaalsContact C-N 3.25Å; Q266-A268 PolarHBondContact O-N 2.85Å; Q266-L269 WeakPolarHBondContact O-CB 3.38Å; Q266-L269 PolarHBondContact O-N 3.41Å; Q266-C270 PolarHBondContact O-N 3.25Å; Q266-C270 PolarHBondContact O-SG 3.09Å
267V98.4Very high97.6Very high0 Ų032.1 Ų32.10%015%0.146CC..Hα-helixtrans-64.3-29.3-179.676.20000112.9V214 S263 L269 C270 F276 L293 L296V214-V267 HydrophobicContact CG1-CB 3.79Å; V214-V267 HydrophobicContact CG1-CG2 4.38Å; V214-V267 VanDerWaalsContact CG1-N 3.33Å; S263-V267 WeakPolarHBondContact O-CB 3.34Å; S263-V267 WeakPolarHBondContact O-CG1 3.42Å; S263-V267 PolarHBondContact O-N 3.37Å; V267-L269 PolarHBondContact O-N 3.22Å; V267-C270 WeakPolarHBondContact O-CB 3.28Å; V267-C270 PolarHBondContact O-N 3.16Å; V267-F276 HydrophobicContact CG2-CE1 3.98Å; V267-F276 HydrophobicContact CG2-CZ 3.73Å; V267-L293 HydrophobicContact CB-CD2 4.42Å; V267-L293 HydrophobicContact CG1-CD2 3.93Å; V267-L296 HydrophobicContact CG1-CB 3.93Å
268A97.6Very high97.8Very high30 Ų3031.8 Ų31.825%0.24815%0.145CC..THydrogen-bonded Turntrans-67.9-20.5175.800000112.6Q266 L298Q266-A268 VanDerWaalsContact C-N 3.25Å; Q266-A268 PolarHBondContact O-N 2.85Å; A268-L298 WeakPolarHBondContact O-CD1 3.47Å
269L97.6Very high97.9Very high102 Ų10229.5 Ų29.553%0.53414%0.135SC..THydrogen-bonded Turntrans-90-17.9176.5-55.5177.3000112.2Q266 V267 R271Q266-L269 WeakPolarHBondContact O-CB 3.38Å; Q266-L269 PolarHBondContact O-N 3.41Å; V267-L269 PolarHBondContact O-N 3.22Å; L269-R271 PolarHBondContact O-N 3.45Å
270C97.4Very high97.9Very high0 Ų033.5 Ų33.50%016%0.156CC..  trans-74.7115.7178.5-64.30000111I227 Q266 V267 M272 A299I227-C270 HydrophobicContact CD1-CB 4.24Å; Q266-C270 PolarHBondContact O-N 3.25Å; Q266-C270 PolarHBondContact O-SG 3.09Å; V267-C270 WeakPolarHBondContact O-CB 3.28Å; V267-C270 PolarHBondContact O-N 3.16Å; C270-M272 HydrophobicContact CB-SD 3.55Å; C270-M272 VanDerWaalsContact CB-SD 3.55Å; C270-A299 PolarHBondContact O-N 3.29Å
271R95.1Very high97.9Very high159 Ų15933.5 Ų33.560%0.616%0.161SC*.  trans-105.5-16.9179.2-59.5-55.5-177.297.20.5114.3L269L269-R271 PolarHBondContact O-N 3.45Å
272M96.4Very high97.9Very high14 Ų1434 Ų347%0.06916%0.164CC..SBendtrans-66.4155.9176.764.4-66.2-58.400111.7A217 P221 I224 I227 C270 S274 A299A217-M272 HydrophobicContact CB-CE 4.33Å; A217-M272 HydrophobicContact CB-SD 4.08Å; P221-M272 HydrophobicContact CB-CE 4.06Å; I224-M272 HydrophobicContact CG2-CG 4.29Å; I227-M272 HydrophobicContact CG2-CG 4.35Å; I227-M272 HydrophobicContact CG2-SD 4.5Å; C270-M272 HydrophobicContact CB-SD 3.55Å; C270-M272 VanDerWaalsContact CB-SD 3.55Å; M272-S274 PolarHBondContact O-N 3.09Å; M272-S274 PolarHBondContact O-OG 3.26Å; M272-A299 WeakPolarHBondContact O-CB 3.2Å
273P97.9Very high97.7Very high24 Ų2442 Ų4216%0.15620%0.201CC..  trans-47133.2173.8-30.736.2000113.1A225 A226 I227 T301 F328 L332A225-P273 WeakPolarHBondContact O-CD 3.35Å; A226-P273 VanDerWaalsContact CA-O 3.25Å; A226-P273 WeakPolarHBondContact CA-O 3.37Å; A226-P273 HydrophobicContact CB-CB 4.3Å; A226-P273 WeakPolarHBondContact CB-O 3.41Å; I227-P273 PolarHBondContact N-O 3.37Å; P273-T301 VanDerWaalsContact CA-O 3.29Å; P273-T301 WeakPolarHBondContact CA-O 3.26Å; P273-F328 HydrophobicContact CB-CE2 4.14Å; P273-F328 HydrophobicContact CB-CZ 4.06Å; P273-L332 HydrophobicContact CB-CD1 4.03Å; P273-L332 HydrophobicContact CG-CD1 3.8Å
274S98.4Very high97.5Very high0 Ų046.8 Ų46.80%023%0.226CC..EExtended strand (participates in β ladder)trans-132.9126.2-171.7-600000111.9I227 M272 T301 K302 R303I227-S274 WeakPolarHBondContact CD1-OG 3.43Å; I227-S274 VanDerWaalsContact CG1-OG 3.28Å; I227-S274 WeakPolarHBondContact CG1-OG 3.39Å; I227-S274 CarbonylContact O-C 3.57Å; I227-S274 WeakPolarHBondContact O-CA 3.22Å; M272-S274 PolarHBondContact O-N 3.09Å; M272-S274 PolarHBondContact O-OG 3.26Å; S274-T301 PolarHBondContact N-O 3.41Å; S274-K302 CarbonylContact O-C 3.59Å; S274-K302 VanDerWaalsContact O-CA 3.23Å; S274-K302 WeakPolarHBondContact O-CA 3.25Å; S274-R303 PolarHBondContact O-N 2.81Å
275L98.8Very high97.4Very high3 Ų344.8 Ų44.82%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-108.1122.8170.5177.762.9000109.5I227 I228 V229 V277 R303 A305 L325 F328I227-L275 PolarHBondContact O-N 3.26Å; I228-L275 CarbonylContact C-O 3.58Å; I228-L275 WeakPolarHBondContact CA-O 3.29Å; I228-L275 HydrophobicContact CG1-CB 4.22Å; I228-L275 HydrophobicContact CG1-CD2 4.45Å; I228-L275 HydrophobicContact CG2-CB 4.38Å; I228-L275 HydrophobicContact CG2-CD2 4.07Å; I228-L275 HydrophobicContact CG2-CG 4.35Å; V229-L275 PolarHBondContact N-O 3.49Å; L275-V277 HydrophobicContact CD2-CG2 4.14Å; L275-V277 HydrophobicContact CG-CG2 3.97Å; L275-R303 HydrophobicContact CD1-CB 3.69Å; L275-A305 HydrophobicContact CD1-CB 4.18Å; L275-L325 HydrophobicContact CD2-CD1 3.89Å; L275-L325 HydrophobicContact CD2-CG 4.01Å; L275-F328 HydrophobicContact CB-CD1 3.84Å; L275-F328 HydrophobicContact CB-CD2 3.92Å; L275-F328 HydrophobicContact CB-CE1 3.86Å; L275-F328 HydrophobicContact CB-CE2 3.94Å; L275-F328 HydrophobicContact CB-CG 3.86Å; L275-F328 HydrophobicContact CB-CZ 3.9Å; L275-F328 HydrophobicContact CD2-CB 3.93Å; L275-F328 HydrophobicContact CD2-CD1 4.05Å; L275-F328 HydrophobicContact CD2-CG 3.99Å; L275-F328 HydrophobicContact CG-CG 4.4Å
276F98.8Very high97.3Very high1 Ų140.3 Ų40.30%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-103.4125.6173.4-62.3-93.1000108.3V229 V267 M290 L293 Y294 K302 R303 L304 A305V229-F276 HydrophobicContact CB-CD1 4.4Å; V229-F276 WeakPolarHBondContact O-CA 3.39Å; V267-F276 HydrophobicContact CG2-CE1 3.98Å; V267-F276 HydrophobicContact CG2-CZ 3.73Å; F276-M290 HydrophobicContact CB-CG 4.27Å; F276-M290 HydrophobicContact CB-SD 3.92Å; F276-M290 HydrophobicContact CD1-SD 3.68Å; F276-M290 HydrophobicContact CG-SD 4.3Å; F276-L293 HydrophobicContact CD1-CB 4.13Å; F276-L293 HydrophobicContact CE1-CB 3.86Å; F276-Y294 AromaticContact CD2-CD2 3.67Å; F276-Y294 HydrophobicContact CD2-CD2 3.67Å; F276-Y294 HydrophobicContact CD2-CG 4.31Å; F276-Y294 HydrophobicContact CE2-CD2 4.19Å; F276-Y294 HydrophobicContact CG-CD2 4.34Å; F276-K302 HydrophobicContact CE2-CB 4.46Å; F276-R303 PolarHBondContact N-O 2.9Å; F276-L304 HydrophobicContact CB-CD1 3.77Å; F276-L304 CarbonylContact O-C 3.54Å; F276-L304 WeakPolarHBondContact O-CA 3.45Å; F276-A305 PolarHBondContact O-N 2.8Å
277V98.8Very high97.3Very high0 Ų040.3 Ų40.30%021%0.209CC..EExtended strand (participates in β ladder)trans-115119.5-178.5-177.70000108.4I228 V229 E230 N231 L275 M290 A305 F307 T315 Y321 L325I228-V277 HydrophobicContact CG2-CG2 4.17Å; V229-V277 PolarHBondContact O-N 3.15Å; E230-V277 WeakPolarHBondContact CA-O 3.34Å; E230-V277 HydrophobicContact CB-CB 4.11Å; E230-V277 HydrophobicContact CG-CB 4.14Å; E230-V277 HydrophobicContact CG-CG1 4.06Å; N231-V277 PolarHBondContact N-O 3.35Å; L275-V277 HydrophobicContact CD2-CG2 4.14Å; L275-V277 HydrophobicContact CG-CG2 3.97Å; V277-M290 VanDerWaalsContact O-CE 3.25Å; V277-M290 WeakPolarHBondContact O-CE 3.45Å; V277-A305 WeakPolarHBondContact CA-O 3.3Å; V277-F307 HydrophobicContact CG1-CD2 3.78Å; V277-F307 HydrophobicContact CG1-CE2 3.46Å; V277-F307 VanDerWaalsContact CG1-CE2 3.46Å; V277-T315 HydrophobicContact CG1-CG2 3.84Å; V277-Y321 HydrophobicContact CG1-CD2 4.2Å; V277-Y321 HydrophobicContact CG1-CE2 3.71Å; V277-L325 HydrophobicContact CG2-CD1 4.2Å
278S98.5Very high97.3Very high5 Ų544.2 Ų44.24%0.03523%0.232CC..EExtended strand (participates in β ladder)trans-124.1116.6-176.8-1640000111.1A305 I306 F307S278-A305 PolarHBondContact N-O 2.88Å; S278-I306 WeakPolarHBondContact O-CA 3.27Å; S278-F307 PolarHBondContact O-N 3.43Å
279G98.2Very high97.3Very high0 Ų043 Ų430%022%0.222CC..EExtended strand (participates in β ladder)trans-77126.5161.200000110N231 S281 P287 F307 G310N231-G279 PolarHBondContact OD1-N 3.03Å; G279-S281 VanDerWaalsContact C-N 3.33Å; G279-P287 WeakPolarHBondContact O-CG 3.32Å; G279-F307 CarbonylContact C-O 3.55Å; G279-F307 WeakPolarHBondContact CA-O 3.32Å; G279-G310 CarbonylContact C-O 3.6Å; G279-G310 VanDerWaalsContact C-O 3.25Å; G279-G310 WeakPolarHBondContact CA-O 3.13Å
280L97.4Very high97.3Very high87 Ų8738.3 Ų38.346%0.45520%0.197SC..THydrogen-bonded Turntrans-79.7-18.4179.5-61.3-173.4000113.1D282 P287 I306 F307L280-D282 VanDerWaalsContact C-N 3.28Å; L280-P287 HydrophobicContact CD2-CB 3.98Å; L280-I306 HydrophobicContact CD1-CG2 3.55Å; L280-I306 HydrophobicContact CD2-CG2 3.58Å; L280-I306 HydrophobicContact CG-CG2 3.43Å; L280-I306 VanDerWaalsContact CG-CG2 3.43Å; L280-F307 PolarHBondContact N-O 3.44Å
281S97.3Very high97.4Very high45 Ų4543.6 Ų43.632%0.31522%0.22SC..THydrogen-bonded Turntrans-93.517.9176.1-640000112.3G279 Q283 P308 G310G279-S281 VanDerWaalsContact C-N 3.33Å; S281-Q283 PolarHBondContact O-N 2.84Å; S281-P308 PolarHBondContact N-O 3.11Å; S281-P308 PolarHBondContact OG-O 3.31Å; S281-G310 CarbonylContact C-O 2.95Å; S281-G310 WeakPolarHBondContact CA-O 2.99Å; S281-G310 WeakPolarHBondContact CB-O 3.41Å; S281-G310 PolarHBondContact N-O 2.85Å
282D97.3Very high97.5Very high11 Ų1139.5 Ų39.56%0.05921%0.208CC..  trans-69.9111.4173.1-169.4-19.1000110.6N231 L280 L284 I285 P287 G310 H312N231-D282 WeakPolarHBondContact CB-OD2 3.37Å; L280-D282 VanDerWaalsContact C-N 3.28Å; D282-L284 WeakPolarHBondContact OD1-CA 2.97Å; D282-L284 PolarHBondContact OD1-N 2.75Å; D282-I285 WeakPolarHBondContact CB-O 3.46Å; D282-I285 PolarHBondContact OD1-N 2.78Å; D282-P287 HydrophobicContact CB-CG 4.47Å; D282-G310 PolarHBondContact N-O 2.81Å; D282-H312 VanDerWaalsContact CG-ND1 3.33Å; D282-H312 WeakPolarHBondContact OD1-CB 3.3Å; D282-H312 IonicContact OD1-CG 2.82Å; D282-H312 IonicContact OD1-ND1 3.24Å; D282-H312 PolarHBondContact OD1-ND1 3.38Å; D282-H312 IonicContact OD2-CE1 2.65Å; D282-H312 IonicContact OD2-CG 3.82Å; D282-H312 IonicContact OD2-ND1 2.66Å; D282-H312 PolarHBondContact OD2-ND1 2.94Å
283Q94Very high97.7Very high188 Ų18838.8 Ų38.888%0.87920%0.204SC*.SBendtrans-91.2-9.7179-62.1-177.2-0.700113.1S281S281-Q283 PolarHBondContact O-N 2.84Å
284L94.3Very high97.7Very high101 Ų10140.9 Ų40.953%0.52921%0.21SC..SBendtrans-94.4-46.2-179.6-66.1-177.2000111.1M239 D282 H312M239-L284 VanDerWaalsContact CE-O 3.26Å; M239-L284 WeakPolarHBondContact CE-O 3.34Å; D282-L284 WeakPolarHBondContact OD1-CA 2.97Å; D282-L284 PolarHBondContact OD1-N 2.75Å; L284-H312 HydrophobicContact CB-CB 4.24Å; L284-H312 HydrophobicContact CD1-CB 3.97Å; L284-H312 HydrophobicContact CG-CB 4.24Å
285I96.5Very high97.7Very high8 Ų846.1 Ų46.14%0.04123%0.234CC..SBendtrans-117.8118.3177.8-59.4-175.2000109N231 F233 M239 D282 P287 M289N231-I285 WeakPolarHBondContact O-CD1 3.48Å; F233-I285 HydrophobicContact CB-CD1 4.08Å; F233-I285 HydrophobicContact CB-CG2 4.07Å; F233-I285 HydrophobicContact CD1-CD1 3.66Å; F233-I285 HydrophobicContact CG-CD1 4.34Å; M239-I285 HydrophobicContact CE-CG1 4.05Å; M239-I285 HydrophobicContact SD-CG1 4.27Å; M239-I285 HydrophobicContact SD-CG2 4.13Å; D282-I285 WeakPolarHBondContact CB-O 3.46Å; D282-I285 PolarHBondContact OD1-N 2.78Å; I285-P287 WeakPolarHBondContact O-CD 3.32Å; I285-M289 HydrophobicContact CG2-CB 4.39Å; I285-M289 HydrophobicContact CG2-SD 4.49Å
286P96.9Very high97.7Very high34 Ų3449.6 Ų49.622%0.22125%0.252CS..  trans-55.2124.5176.9-25.833.4000111.6T242 V288 M289T242-P286 HydrophobicContact CG2-CG 3.64Å; P286-V288 HydrophobicContact CB-CG1 3.86Å; P286-V288 PolarHBondContact O-N 2.92Å; P286-M289 HydrophobicContact CG-CE 4.46Å; P286-M289 WeakPolarHBondContact O-CB 3.48Å; P286-M289 PolarHBondContact O-N 3.11Å
287P97.4Very high97.6Very high34 Ų3449.6 Ų49.622%0.22125%0.252CS..Hα-helixtrans-56.6-25.3-177.5-2834.3000114.2G279 L280 D282 I285 M289 M290 K291G279-P287 WeakPolarHBondContact O-CG 3.32Å; L280-P287 HydrophobicContact CD2-CB 3.98Å; D282-P287 HydrophobicContact CB-CG 4.47Å; I285-P287 WeakPolarHBondContact O-CD 3.32Å; P287-M289 PolarHBondContact O-N 2.88Å; P287-M290 PolarHBondContact O-N 2.84Å; P287-M290 VanDerWaalsContact O-N 3.1Å; P287-K291 PolarHBondContact O-N 3.47Å
288V97.8Very high97.5Very high82 Ų8254 Ų5450%0.49728%0.276SS..Hα-helixtrans-55.9-33173.667.10000112.6P286 M290 K291 Q292P286-V288 HydrophobicContact CB-CG1 3.86Å; P286-V288 PolarHBondContact O-N 2.92Å; V288-M290 PolarHBondContact O-N 2.95Å; V288-K291 PolarHBondContact O-N 3.25Å; V288-Q292 HydrophobicContact CG2-CG 4.45Å; V288-Q292 VanDerWaalsContact O-CG 3.27Å; V288-Q292 WeakPolarHBondContact O-CG 3.11Å; V288-Q292 PolarHBondContact O-N 2.93Å
289M98.4Very high97.3Very high6 Ų654.1 Ų54.13%0.0328%0.277CS..Hα-helixtrans-66.6-38.4178-66.7-160.2-17500111.8F233 L234 H238 M239 T242 I285 P286 P287 Q292 L293F233-M289 HydrophobicContact CB-SD 3.95Å; L234-M289 HydrophobicContact CB-SD 4.44Å; L234-M289 HydrophobicContact CG-CB 4.21Å; L234-M289 HydrophobicContact CG-CG 4.32Å; H238-M289 HydrophobicContact CB-CE 4.24Å; M239-M289 HydrophobicContact CG-CE 4.45Å; M239-M289 HydrophobicContact CG-SD 4.28Å; M239-M289 HydrophobicContact SD-CE 3.63Å; M239-M289 HydrophobicContact SD-SD 3.47Å; T242-M289 WeakPolarHBondContact OG1-CE 3.35Å; I285-M289 HydrophobicContact CG2-CB 4.39Å; I285-M289 HydrophobicContact CG2-SD 4.49Å; P286-M289 HydrophobicContact CG-CE 4.46Å; P286-M289 WeakPolarHBondContact O-CB 3.48Å; P286-M289 PolarHBondContact O-N 3.11Å; P287-M289 PolarHBondContact O-N 2.88Å; M289-Q292 PolarHBondContact O-N 3.24Å; M289-L293 WeakPolarHBondContact O-CG 3.45Å; M289-L293 PolarHBondContact O-N 3.07Å
290M98.3Very high96.9Very high2 Ų265.9 Ų65.91%0.0132%0.321CS..Hα-helixtrans-66.2-42.9175.7-174.458.186.500111.2V229 E230 F276 V277 P287 V288 Q292 L293 Y294 L304V229-M290 HydrophobicContact CG1-CE 4.07Å; V229-M290 HydrophobicContact CG1-SD 4.45Å; V229-M290 WeakPolarHBondContact O-CE 3.42Å; E230-M290 VanDerWaalsContact C-CE 3.43Å; F276-M290 HydrophobicContact CB-CG 4.27Å; F276-M290 HydrophobicContact CB-SD 3.92Å; F276-M290 HydrophobicContact CD1-SD 3.68Å; F276-M290 HydrophobicContact CG-SD 4.3Å; V277-M290 VanDerWaalsContact O-CE 3.25Å; V277-M290 WeakPolarHBondContact O-CE 3.45Å; P287-M290 PolarHBondContact O-N 2.84Å; P287-M290 VanDerWaalsContact O-N 3.1Å; V288-M290 PolarHBondContact O-N 2.95Å; M290-Q292 VanDerWaalsContact C-N 3.3Å; M290-Q292 PolarHBondContact O-N 2.81Å; M290-L293 PolarHBondContact O-N 2.82Å; M290-L293 HydrophobicContact SD-CD1 4.33Å; M290-Y294 PolarHBondContact O-N 3.44Å; M290-L304 HydrophobicContact CG-CD1 4.27Å
291K98.4Very high96.7Very high111 Ų11165.3 Ų65.348%0.48332%0.321SS..Hα-helixtrans-58.5-43173.8-177.2179.7173.5-175.70111.5P287 V288 Y294 E295 L304P287-K291 PolarHBondContact O-N 3.47Å; V288-K291 PolarHBondContact O-N 3.25Å; K291-Y294 WeakPolarHBondContact O-CB 3.47Å; K291-Y294 PolarHBondContact O-N 3.28Å; K291-E295 WeakPolarHBondContact CE-OE1 3.27Å; K291-E295 WeakPolarHBondContact O-CG 3.3Å; K291-E295 PolarHBondContact O-N 2.88Å; K291-L304 HydrophobicContact CG-CD2 4.46Å
292Q98.6Very high96.6Very high73 Ų7366 Ų6634%0.34132%0.319SS..Hα-helixtrans-64.6-39.8176.8-73171.7-43.100112.3L234 V288 M289 M290 Y294 E295 L296L234-Q292 HydrophobicContact CD1-CB 4.3Å; L234-Q292 HydrophobicContact CD2-CB 3.9Å; L234-Q292 HydrophobicContact CG-CB 4.43Å; V288-Q292 HydrophobicContact CG2-CG 4.45Å; V288-Q292 VanDerWaalsContact O-CG 3.27Å; V288-Q292 WeakPolarHBondContact O-CG 3.11Å; V288-Q292 PolarHBondContact O-N 2.93Å; M289-Q292 PolarHBondContact O-N 3.24Å; M290-Q292 VanDerWaalsContact C-N 3.3Å; M290-Q292 PolarHBondContact O-N 2.81Å; Q292-Y294 VanDerWaalsContact C-N 3.34Å; Q292-Y294 PolarHBondContact O-N 3.27Å; Q292-E295 PolarHBondContact O-N 3.48Å; Q292-L296 WeakPolarHBondContact O-CB 3.48Å; Q292-L296 VanDerWaalsContact O-CG 3.26Å; Q292-L296 WeakPolarHBondContact O-CG 3.25Å; Q292-L296 PolarHBondContact O-N 2.84Å
293L98.7Very high96.6Very high0 Ų070.8 Ų70.80%034%0.336CS..Hα-helixtrans-61-42.6173-73.5173.2000111.9T232 L234 V267 F276 M289 M290 L296 S297T232-L293 HydrophobicContact CG2-CD1 4.14Å; L234-L293 HydrophobicContact CD2-CD2 3.79Å; L234-L293 HydrophobicContact CD2-CG 3.9Å; V267-L293 HydrophobicContact CB-CD2 4.42Å; V267-L293 HydrophobicContact CG1-CD2 3.93Å; F276-L293 HydrophobicContact CD1-CB 4.13Å; F276-L293 HydrophobicContact CE1-CB 3.86Å; M289-L293 WeakPolarHBondContact O-CG 3.45Å; M289-L293 PolarHBondContact O-N 3.07Å; M290-L293 PolarHBondContact O-N 2.82Å; M290-L293 HydrophobicContact SD-CD1 4.33Å; L293-L296 PolarHBondContact O-N 3.43Å; L293-S297 PolarHBondContact O-N 3.5Å
294Y98.6Very high96.8Very high68 Ų6864.2 Ų64.227%0.26731%0.306SS..Hα-helixtrans-59.9-44.8174.1166.9-96.4000111.8F276 M290 K291 Q292 S297 K302 L304F276-Y294 AromaticContact CD2-CD2 3.67Å; F276-Y294 HydrophobicContact CD2-CD2 3.67Å; F276-Y294 HydrophobicContact CD2-CG 4.31Å; F276-Y294 HydrophobicContact CE2-CD2 4.19Å; F276-Y294 HydrophobicContact CG-CD2 4.34Å; M290-Y294 PolarHBondContact O-N 3.44Å; K291-Y294 WeakPolarHBondContact O-CB 3.47Å; K291-Y294 PolarHBondContact O-N 3.28Å; Q292-Y294 VanDerWaalsContact C-N 3.34Å; Q292-Y294 PolarHBondContact O-N 3.27Å; Y294-S297 PolarHBondContact O-N 2.89Å; Y294-K302 HydrophobicContact CD2-CB 4.26Å; Y294-K302 HydrophobicContact CD2-CD 4.02Å; Y294-K302 HydrophobicContact CD2-CG 4.21Å; Y294-K302 HydrophobicContact CE2-CB 3.89Å; Y294-K302 HydrophobicContact CE2-CD 3.74Å; Y294-K302 HydrophobicContact CE2-CG 3.56Å; Y294-K302 WeakPolarHBondContact O-CD 3.48Å; Y294-K302 WeakPolarHBondContact O-CE 3.04Å; Y294-K302 PolarHBondContact O-NZ 3.16Å; Y294-L304 HydrophobicContact CD1-CB 4.38Å; Y294-L304 HydrophobicContact CD1-CD2 4.29Å; Y294-L304 HydrophobicContact CD2-CB 3.83Å; Y294-L304 HydrophobicContact CE2-CB 4.03Å; Y294-L304 HydrophobicContact CG-CB 4.01Å; Y294-L304 HydrophobicContact CG-CD2 4.38Å
295E98.4Very high97Very high109 Ų10960.1 Ų60.151%0.50929%0.287SS..Hα-helixtrans-63.8-43178.6-73.4171177.200111.9K291 Q292 S297 K302K291-E295 WeakPolarHBondContact CE-OE1 3.27Å; K291-E295 WeakPolarHBondContact O-CG 3.3Å; K291-E295 PolarHBondContact O-N 2.88Å; Q292-E295 PolarHBondContact O-N 3.48Å; E295-S297 VanDerWaalsContact C-N 3.32Å; E295-S297 PolarHBondContact O-N 3.45Å; E295-K302 PolarHBondContact O-NZ 3.25Å
296L98.4Very high97.1Very high76 Ų7664 Ų6440%0.39831%0.307SS..Hα-helixtrans-70.4-22.3178.9-70.8171.5000114.2L234 V267 Q292 L293 L298L234-L296 HydrophobicContact CD2-CD1 4.1Å; V267-L296 HydrophobicContact CG1-CB 3.93Å; Q292-L296 WeakPolarHBondContact O-CB 3.48Å; Q292-L296 VanDerWaalsContact O-CG 3.26Å; Q292-L296 WeakPolarHBondContact O-CG 3.25Å; Q292-L296 PolarHBondContact O-N 2.84Å; L293-L296 PolarHBondContact O-N 3.43Å; L296-L298 PolarHBondContact O-N 3.25Å
297S97.6Very high97.2Very high1 Ų163 Ų631%0.00730%0.299CS..  trans-63.2129.9178.6-178.90000111.9L293 Y294 E295 A299 K302L293-S297 PolarHBondContact O-N 3.5Å; Y294-S297 PolarHBondContact O-N 2.89Å; E295-S297 VanDerWaalsContact C-N 3.32Å; E295-S297 PolarHBondContact O-N 3.45Å; S297-A299 WeakPolarHBondContact OG-CB 3.34Å; S297-A299 PolarHBondContact OG-N 3.41Å; S297-K302 PolarHBondContact O-NZ 2.76Å
298L96Very high97.1Very high94 Ų9465.1 Ų65.149%0.49231%0.313SS..  trans-96.713.5175.4-59.1-173.8000112.9A268 L296 R300A268-L298 WeakPolarHBondContact O-CD1 3.47Å; L296-L298 PolarHBondContact O-N 3.25Å; L298-R300 PolarHBondContact O-N 3.45Å
299A94.5Very high97Very high7 Ų768.5 Ų68.56%0.05832%0.323CS..  trans-61.2132.2173.700000110.4C270 M272 S297 T301 K302C270-A299 PolarHBondContact O-N 3.29Å; M272-A299 WeakPolarHBondContact O-CB 3.2Å; S297-A299 WeakPolarHBondContact OG-CB 3.34Å; S297-A299 PolarHBondContact OG-N 3.41Å; A299-T301 PolarHBondContact O-N 3.25Å; A299-K302 HydrophobicContact CB-CB 4.33Å
300R89Confident96.9Very high246 Ų24668.2 Ų68.293%0.92832%0.322SS*.SBendtrans-62-37177.2-71.2-176.2176.8-176-0.4111.7L298L298-R300 PolarHBondContact O-N 3.45Å
301T93.5Very high96.9Very high75 Ų7570.4 Ų70.446%0.4634%0.336SS..SBendtrans-114.6101177.4-45.60000107.9P273 S274 A299P273-T301 VanDerWaalsContact CA-O 3.29Å; P273-T301 WeakPolarHBondContact CA-O 3.26Å; S274-T301 PolarHBondContact N-O 3.41Å; A299-T301 PolarHBondContact O-N 3.25Å
302K95.8Very high96.8Very high61 Ų6165.8 Ų65.827%0.26532%0.315SS..EExtended strand (participates in β ladder)trans-126.2142.3174.758.7179.1-176.8-177.50111.4S274 F276 Y294 E295 S297 A299S274-K302 CarbonylContact O-C 3.59Å; S274-K302 VanDerWaalsContact O-CA 3.23Å; S274-K302 WeakPolarHBondContact O-CA 3.25Å; F276-K302 HydrophobicContact CE2-CB 4.46Å; Y294-K302 HydrophobicContact CD2-CB 4.26Å; Y294-K302 HydrophobicContact CD2-CD 4.02Å; Y294-K302 HydrophobicContact CD2-CG 4.21Å; Y294-K302 HydrophobicContact CE2-CB 3.89Å; Y294-K302 HydrophobicContact CE2-CD 3.74Å; Y294-K302 HydrophobicContact CE2-CG 3.56Å; Y294-K302 WeakPolarHBondContact O-CD 3.48Å; Y294-K302 WeakPolarHBondContact O-CE 3.04Å; Y294-K302 PolarHBondContact O-NZ 3.16Å; E295-K302 PolarHBondContact O-NZ 3.25Å; S297-K302 PolarHBondContact O-NZ 2.76Å; A299-K302 HydrophobicContact CB-CB 4.33Å
303R98Very high96.6Very high111 Ų11165.7 Ų65.742%0.41932%0.317SS..EExtended strand (participates in β ladder)trans-129.3146.5175.9-68.2-177.2-179.3-92.24.1109.9S274 L275 F276 D331S274-R303 PolarHBondContact O-N 2.81Å; L275-R303 HydrophobicContact CD1-CB 3.69Å; F276-R303 PolarHBondContact N-O 2.9Å; R303-D331 IonicContact CZ-OD2 3.33Å; R303-D331 IonicContact NE-OD2 3.46Å; R303-D331 IonicContact NH2-OD2 2.71Å; R303-D331 PolarHBondContact NH2-OD2 3.46Å
304L98.3Very high96.4Very high49 Ų4969 Ų6926%0.25734%0.335SS..EExtended strand (participates in β ladder)trans-118.2110.3170.7178.761.7000108.2F276 M290 K291 Y294 I306F276-L304 HydrophobicContact CB-CD1 3.77Å; F276-L304 CarbonylContact O-C 3.54Å; F276-L304 WeakPolarHBondContact O-CA 3.45Å; M290-L304 HydrophobicContact CG-CD1 4.27Å; K291-L304 HydrophobicContact CG-CD2 4.46Å; Y294-L304 HydrophobicContact CD1-CB 4.38Å; Y294-L304 HydrophobicContact CD1-CD2 4.29Å; Y294-L304 HydrophobicContact CD2-CB 3.83Å; Y294-L304 HydrophobicContact CE2-CB 4.03Å; Y294-L304 HydrophobicContact CG-CB 4.01Å; Y294-L304 HydrophobicContact CG-CD2 4.38Å; L304-I306 HydrophobicContact CD2-CD1 4.04Å; L304-I306 HydrophobicContact CD2-CG1 4.27Å; L304-I306 HydrophobicContact CG-CD1 4.22Å; L304-I306 HydrophobicContact CG-CG1 3.91Å
305A98.3Very high96.3Very high15 Ų1565.8 Ų65.812%0.12432%0.323CS..EExtended strand (participates in β ladder)trans-94.5124.2173.500000109.1L275 F276 V277 S278 F307 A324L275-A305 HydrophobicContact CD1-CB 4.18Å; F276-A305 PolarHBondContact O-N 2.8Å; V277-A305 WeakPolarHBondContact CA-O 3.3Å; S278-A305 PolarHBondContact N-O 2.88Å; A305-F307 HydrophobicContact CB-CE2 3.74Å; A305-F307 HydrophobicContact CB-CZ 4.13Å; A305-A324 HydrophobicContact CB-CB 4.24Å
306I98.3Very high96.2Very high89 Ų8962.6 Ų62.646%0.45631%0.306SS..EExtended strand (participates in β ladder)trans-115.9128.7-174.4-59.6179.8000109S278 L280 L304S278-I306 WeakPolarHBondContact O-CA 3.27Å; L280-I306 HydrophobicContact CD1-CG2 3.55Å; L280-I306 HydrophobicContact CD2-CG2 3.58Å; L280-I306 HydrophobicContact CG-CG2 3.43Å; L280-I306 VanDerWaalsContact CG-CG2 3.43Å; L304-I306 HydrophobicContact CD2-CD1 4.04Å; L304-I306 HydrophobicContact CD2-CG1 4.27Å; L304-I306 HydrophobicContact CG-CD1 4.22Å; L304-I306 HydrophobicContact CG-CG1 3.91Å
307F98Very high96.1Very high15 Ų1564.7 Ų64.77%0.06631%0.314CS..EExtended strand (participates in β ladder)trans-119.3104179.8-61.3-84000109.1V277 S278 G279 L280 A305 E309 G310 T315 C318 Y321 A324V277-F307 HydrophobicContact CG1-CD2 3.78Å; V277-F307 HydrophobicContact CG1-CE2 3.46Å; V277-F307 VanDerWaalsContact CG1-CE2 3.46Å; S278-F307 PolarHBondContact O-N 3.43Å; G279-F307 CarbonylContact C-O 3.55Å; G279-F307 WeakPolarHBondContact CA-O 3.32Å; L280-F307 PolarHBondContact N-O 3.44Å; A305-F307 HydrophobicContact CB-CE2 3.74Å; A305-F307 HydrophobicContact CB-CZ 4.13Å; F307-E309 PolarHBondContact O-N 2.91Å; F307-G310 PolarHBondContact O-N 2.85Å; F307-T315 HydrophobicContact CB-CG2 4.14Å; F307-T315 HydrophobicContact CD2-CG2 3.67Å; F307-T315 HydrophobicContact CE2-CG2 4.41Å; F307-T315 HydrophobicContact CG-CG2 4.01Å; F307-C318 HydrophobicContact CB-CB 4.25Å; F307-C318 HydrophobicContact CD1-CB 3.72Å; F307-C318 HydrophobicContact CG-CB 4.25Å; F307-Y321 VanDerWaalsContact CE1-CA 3.48Å; F307-Y321 HydrophobicContact CE1-CD2 4.35Å; F307-Y321 AromaticContact CE2-CD2 3.97Å; F307-Y321 HydrophobicContact CE2-CD2 3.97Å; F307-Y321 AromaticContact CZ-CD2 3.86Å; F307-Y321 HydrophobicContact CZ-CD2 3.86Å; F307-Y321 HydrophobicContact CZ-CG 4.41Å; F307-A324 HydrophobicContact CZ-CB 4.31Å
308P96.3Very high96.1Very high78 Ų7866 Ų6651%0.50632%0.323SS..THydrogen-bonded Turntrans-54-49.3-175.3-29.336.4000113.9S281 G310S281-P308 PolarHBondContact N-O 3.11Å; S281-P308 PolarHBondContact OG-O 3.31Å; P308-G310 VanDerWaalsContact C-N 3.26Å; P308-G310 PolarHBondContact O-N 3.46Å
309E95.8Very high96Very high152 Ų15270.8 Ų70.871%0.7134%0.342SS*.THydrogen-bonded Turntrans-84.22-179.8-52.6-52.6123.800113.3F307 T311F307-E309 PolarHBondContact O-N 2.91Å; E309-T311 PolarHBondContact O-N 2.9Å
310G96.8Very high96.1Very high0 Ų071.7 Ų71.70%035%0.353CS..  trans-69.9116.3-176.900000111.7G279 S281 D282 F307 P308 C318G279-G310 CarbonylContact C-O 3.6Å; G279-G310 VanDerWaalsContact C-O 3.25Å; G279-G310 WeakPolarHBondContact CA-O 3.13Å; S281-G310 CarbonylContact C-O 2.95Å; S281-G310 WeakPolarHBondContact CA-O 2.99Å; S281-G310 WeakPolarHBondContact CB-O 3.41Å; S281-G310 PolarHBondContact N-O 2.85Å; D282-G310 PolarHBondContact N-O 2.81Å; F307-G310 PolarHBondContact O-N 2.85Å; P308-G310 VanDerWaalsContact C-N 3.26Å; P308-G310 PolarHBondContact O-N 3.46Å; G310-C318 VanDerWaalsContact CA-SG 3.51Å
311T97.6Very high96.5Very high49 Ų4960 Ų6030%0.30131%0.309SS..  trans-86171.617076.60000110.6N231 E309 N313 D314 T315N231-T311 PolarHBondContact ND2-O 3.18Å; E309-T311 PolarHBondContact O-N 2.9Å; T311-N313 VanDerWaalsContact C-N 3.26Å; T311-N313 PolarHBondContact O-N 2.86Å; T311-D314 PolarHBondContact O-N 2.85Å; T311-D314 VanDerWaalsContact OG1-CB 3.27Å; T311-D314 WeakPolarHBondContact OG1-CB 3.5Å; T311-D314 PolarHBondContact OG1-N 3.28Å; T311-D314 VanDerWaalsContact OG1-N 3.14Å; T311-D314 PolarHBondContact OG1-OD2 3.1Å; T311-T315 PolarHBondContact O-N 3.27Å; T311-T315 PolarHBondContact O-OG1 2.78Å
312H96.6Very high96.7Very high13 Ų1357.7 Ų57.76%0.0629%0.292CS..THydrogen-bonded Turntrans-52.1-42.3-179.4-164.467.1000113.7S207 N231 D282 L284S207-H312 VanDerWaalsContact CB-NE2 3.27Å; S207-H312 WeakPolarHBondContact CB-NE2 3.49Å; S207-H312 PolarHBondContact OG-CE1 2.97Å; S207-H312 VanDerWaalsContact OG-CE1 3.31Å; S207-H312 PolarHBondContact OG-NE2 2.72Å; N231-H312 PolarHBondContact ND2-O 3.2Å; N231-H312 PolarHBondContact O-CE1 3.01Å; D282-H312 VanDerWaalsContact CG-ND1 3.33Å; D282-H312 WeakPolarHBondContact OD1-CB 3.3Å; D282-H312 IonicContact OD1-CG 2.82Å; D282-H312 IonicContact OD1-ND1 3.24Å; D282-H312 PolarHBondContact OD1-ND1 3.38Å; D282-H312 IonicContact OD2-CE1 2.65Å; D282-H312 IonicContact OD2-CG 3.82Å; D282-H312 IonicContact OD2-ND1 2.66Å; D282-H312 PolarHBondContact OD2-ND1 2.94Å; L284-H312 HydrophobicContact CB-CB 4.24Å; L284-H312 HydrophobicContact CD1-CB 3.97Å; L284-H312 HydrophobicContact CG-CB 4.24Å
313N94.3Very high96.8Very high71 Ų7159.8 Ų59.838%0.3831%0.306SS..THydrogen-bonded Turntrans-103-18-174.1-73.7-49.8000114.2R206 T311 W316R206-N313 PolarHBondContact NH1-O 2.72Å; T311-N313 VanDerWaalsContact C-N 3.26Å; T311-N313 PolarHBondContact O-N 2.86Å; N313-W316 PolarHBondContact O-NE1 2.77Å
314D95Very high96.8Very high71 Ų7156 Ų5638%0.3830%0.298SS..THydrogen-bonded Turntrans-114.45.6-169.6-47.7-55.1000113.6T311 W316 Q317T311-D314 PolarHBondContact O-N 2.85Å; T311-D314 VanDerWaalsContact OG1-CB 3.27Å; T311-D314 WeakPolarHBondContact OG1-CB 3.5Å; T311-D314 PolarHBondContact OG1-N 3.28Å; T311-D314 VanDerWaalsContact OG1-N 3.14Å; T311-D314 PolarHBondContact OG1-OD2 3.1Å; D314-W316 PolarHBondContact O-N 3.5Å; D314-W316 VanDerWaalsContact O-N 3.13Å; D314-Q317 WeakPolarHBondContact O-CB 3.39Å; D314-Q317 PolarHBondContact O-N 3.34Å
315T96.1Very high96.8Very high0 Ų053.6 Ų53.60%029%0.286CS..G310 helixtrans-52.1-36.8175.8-65.30000112.8N231 V277 F307 T311 Q317 C318 Y321N231-T315 PolarHBondContact ND2-OG1 2.87Å; V277-T315 HydrophobicContact CG1-CG2 3.84Å; F307-T315 HydrophobicContact CB-CG2 4.14Å; F307-T315 HydrophobicContact CD2-CG2 3.67Å; F307-T315 HydrophobicContact CE2-CG2 4.41Å; F307-T315 HydrophobicContact CG-CG2 4.01Å; T311-T315 PolarHBondContact O-N 3.27Å; T311-T315 PolarHBondContact O-OG1 2.78Å; T315-Q317 PolarHBondContact O-N 3.48Å; T315-C318 VanDerWaalsContact O-CB 3.3Å; T315-C318 WeakPolarHBondContact O-CB 3.3Å; T315-C318 PolarHBondContact O-N 2.86Å; T315-C318 VanDerWaalsContact O-N 3.09Å; T315-C318 PolarHBondContact O-SG 3.4Å; T315-Y321 HydrophobicContact CG2-CD2 4.21Å; T315-Y321 HydrophobicContact CG2-CE2 4.28Å; T315-Y321 WeakPolarHBondContact O-CD2 3.49Å
316W96.3Very high96.7Very high42 Ų4255.5 Ų55.516%0.15929%0.292CS..G310 helixtrans-66.2-12.917768.8-72.9000115.2P146 N147 L150 N313 D314 Y321 F322P146-W316 HydrophobicContact CB-CH2 4.17Å; N147-W316 HydrophobicContact CB-CD2 3.93Å; N147-W316 HydrophobicContact CB-CE3 3.85Å; N147-W316 HydrophobicContact CB-CG 4.47Å; N147-W316 HydrophobicContact CB-CH2 4.49Å; N147-W316 HydrophobicContact CB-CZ3 4.15Å; L150-W316 HydrophobicContact CD1-CE3 3.96Å; L150-W316 HydrophobicContact CD1-CZ3 3.6Å; N313-W316 PolarHBondContact O-NE1 2.77Å; D314-W316 PolarHBondContact O-N 3.5Å; D314-W316 VanDerWaalsContact O-N 3.13Å; W316-Y321 HydrophobicContact CB-CD1 4.1Å; W316-Y321 HydrophobicContact CB-CE1 3.76Å; W316-Y321 HydrophobicContact CB-CE2 4.25Å; W316-F322 WeakPolarHBondContact O-CE2 3.31Å
317Q96.4Very high96.6Very high120 Ų12055.5 Ų55.556%0.56129%0.29SS*.G310 helixtrans-93.9-8.8176-57.8176.19.300112.1D314 T315D314-Q317 WeakPolarHBondContact O-CB 3.39Å; D314-Q317 PolarHBondContact O-N 3.34Å; T315-Q317 PolarHBondContact O-N 3.48Å
318C96.4Very high96.5Very high29 Ų2954.9 Ų54.920%0.19629%0.288CS..SBendtrans-66.6146.7178.6-64.50000111.5F307 G310 T315 G320 Y321F307-C318 HydrophobicContact CB-CB 4.25Å; F307-C318 HydrophobicContact CD1-CB 3.72Å; F307-C318 HydrophobicContact CG-CB 4.25Å; G310-C318 VanDerWaalsContact CA-SG 3.51Å; T315-C318 VanDerWaalsContact O-CB 3.3Å; T315-C318 WeakPolarHBondContact O-CB 3.3Å; T315-C318 PolarHBondContact O-N 2.86Å; T315-C318 VanDerWaalsContact O-N 3.09Å; T315-C318 PolarHBondContact O-SG 3.4Å; C318-G320 PolarHBondContact O-N 2.85Å; C318-Y321 VanDerWaalsContact O-CB 3.23Å; C318-Y321 WeakPolarHBondContact O-CB 3.36Å; C318-Y321 PolarHBondContact O-N 3.48Å
319Q95.6Very high96.5Very high193 Ų19351.4 Ų51.490%0.90227%0.265SS*.THydrogen-bonded Turntrans-58.9139173.7-172.5176.63.500110.8Y321Q319-Y321 PolarHBondContact O-N 3.41Å
320G95.9Very high96.3Very high27 Ų2748.3 Ų48.328%0.27825%0.249SC..THydrogen-bonded Turntrans78.5-1.1-179.500000114.9C318 D323 A324C318-G320 PolarHBondContact O-N 2.85Å; G320-D323 WeakPolarHBondContact CA-OD2 3.38Å; G320-D323 PolarHBondContact O-N 3.49Å; G320-A324 PolarHBondContact O-N 2.92Å
321Y98Very high96Very high1 Ų150.3 Ų50.30%0.00426%0.259CS..Hα-helixtrans-59.6-56.1179.5177.2-92.8000111.9F204 E230 V277 F307 T315 W316 C318 Q319 D323 A324 L325F204-Y321 WeakPolarHBondContact CE2-OH 3.47Å; E230-Y321 WeakPolarHBondContact OE2-CE2 3.49Å; E230-Y321 PolarHBondContact OE2-OH 3.41Å; V277-Y321 HydrophobicContact CG1-CD2 4.2Å; V277-Y321 HydrophobicContact CG1-CE2 3.71Å; F307-Y321 VanDerWaalsContact CE1-CA 3.48Å; F307-Y321 HydrophobicContact CE1-CD2 4.35Å; F307-Y321 AromaticContact CE2-CD2 3.97Å; F307-Y321 HydrophobicContact CE2-CD2 3.97Å; F307-Y321 AromaticContact CZ-CD2 3.86Å; F307-Y321 HydrophobicContact CZ-CD2 3.86Å; F307-Y321 HydrophobicContact CZ-CG 4.41Å; T315-Y321 HydrophobicContact CG2-CD2 4.21Å; T315-Y321 HydrophobicContact CG2-CE2 4.28Å; T315-Y321 WeakPolarHBondContact O-CD2 3.49Å; W316-Y321 HydrophobicContact CB-CD1 4.1Å; W316-Y321 HydrophobicContact CB-CE1 3.76Å; W316-Y321 HydrophobicContact CB-CE2 4.25Å; C318-Y321 VanDerWaalsContact O-CB 3.23Å; C318-Y321 WeakPolarHBondContact O-CB 3.36Å; C318-Y321 PolarHBondContact O-N 3.48Å; Q319-Y321 PolarHBondContact O-N 3.41Å; Y321-D323 VanDerWaalsContact C-N 3.3Å; Y321-D323 PolarHBondContact O-N 2.9Å; Y321-A324 PolarHBondContact O-N 3.4Å; Y321-L325 HydrophobicContact CD1-CD1 4.42Å; Y321-L325 HydrophobicContact CD2-CD1 4.34Å; Y321-L325 HydrophobicContact CE1-CD1 4.09Å; Y321-L325 HydrophobicContact CE1-CD2 3.69Å; Y321-L325 HydrophobicContact CE2-CD1 4Å; Y321-L325 VanDerWaalsContact O-CD1 3.31Å; Y321-L325 WeakPolarHBondContact O-CD1 3.48Å; Y321-L325 PolarHBondContact O-N 2.96Å
322F97.4Very high95.7Very high26 Ų2648.1 Ų48.111%0.11425%0.246CC..Hα-helixtrans-68.9-29.1-180-72.4-73.4000112.6L150 M151 N154 W316 A324 L325 E326L150-F322 HydrophobicContact CB-CD2 4.5Å; L150-F322 HydrophobicContact CB-CE1 3.7Å; L150-F322 HydrophobicContact CB-CE2 3.67Å; L150-F322 HydrophobicContact CB-CZ 3.21Å; L150-F322 HydrophobicContact CD1-CE2 3.52Å; L150-F322 HydrophobicContact CD1-CZ 3.82Å; L150-F322 HydrophobicContact CG-CE2 4.24Å; L150-F322 HydrophobicContact CG-CZ 4.18Å; M151-F322 HydrophobicContact CG-CE1 3.91Å; N154-F322 HydrophobicContact CB-CB 3.93Å; N154-F322 HydrophobicContact CB-CD1 3.85Å; N154-F322 HydrophobicContact CB-CG 4.06Å; W316-F322 WeakPolarHBondContact O-CE2 3.31Å; F322-A324 VanDerWaalsContact C-N 3.35Å; F322-A324 PolarHBondContact O-N 3.26Å; F322-L325 PolarHBondContact O-N 3.36Å; F322-E326 WeakPolarHBondContact O-CB 3.49Å; F322-E326 PolarHBondContact O-N 2.76Å
323D97.4Very high95.2Very high105 Ų10550.1 Ų50.156%0.56126%0.257SS*.Hα-helixtrans-62.9-42.5173.9-58.5-34.3000111.2G320 Y321 E326 Q327G320-D323 WeakPolarHBondContact CA-OD2 3.38Å; G320-D323 PolarHBondContact O-N 3.49Å; Y321-D323 VanDerWaalsContact C-N 3.3Å; Y321-D323 PolarHBondContact O-N 2.9Å; D323-E326 PolarHBondContact O-N 2.88Å; D323-Q327 VanDerWaalsContact O-CB 3.3Å; D323-Q327 WeakPolarHBondContact O-CB 3.39Å; D323-Q327 PolarHBondContact O-N 2.87Å
324A97.6Very high94.9Very high30 Ų3052.9 Ų52.925%0.24827%0.265CS..Hα-helixtrans-64.8-42.6177.400000112.2A305 F307 G320 Y321 F322 F328A305-A324 HydrophobicContact CB-CB 4.24Å; F307-A324 HydrophobicContact CZ-CB 4.31Å; G320-A324 PolarHBondContact O-N 2.92Å; Y321-A324 PolarHBondContact O-N 3.4Å; F322-A324 VanDerWaalsContact C-N 3.35Å; F322-A324 PolarHBondContact O-N 3.26Å; A324-F328 PolarHBondContact O-N 3.46Å; A324-F328 VanDerWaalsContact O-N 3.13Å
325L98.1Very high94.1Very high0 Ų051.8 Ų51.80%026%0.263CS..Hα-helixtrans-68.3-43.3176.6-87.165.6000111.1M151 L155 I228 L275 V277 Y321 F322 Q327 F328 M329M151-L325 HydrophobicContact CE-CD2 4.29Å; L155-L325 HydrophobicContact CD1-CB 4.26Å; L155-L325 HydrophobicContact CD1-CD2 4.15Å; L155-L325 HydrophobicContact CD2-CB 3.67Å; I228-L325 HydrophobicContact CD1-CG 4.44Å; L275-L325 HydrophobicContact CD2-CD1 3.89Å; L275-L325 HydrophobicContact CD2-CG 4.01Å; V277-L325 HydrophobicContact CG2-CD1 4.2Å; Y321-L325 HydrophobicContact CD1-CD1 4.42Å; Y321-L325 HydrophobicContact CD2-CD1 4.34Å; Y321-L325 HydrophobicContact CE1-CD1 4.09Å; Y321-L325 HydrophobicContact CE1-CD2 3.69Å; Y321-L325 HydrophobicContact CE2-CD1 4Å; Y321-L325 VanDerWaalsContact O-CD1 3.31Å; Y321-L325 WeakPolarHBondContact O-CD1 3.48Å; Y321-L325 PolarHBondContact O-N 2.96Å; F322-L325 PolarHBondContact O-N 3.36Å; L325-Q327 PolarHBondContact O-N 2.94Å; L325-F328 PolarHBondContact O-N 2.85Å; L325-M329 VanDerWaalsContact O-CG 3.29Å; L325-M329 WeakPolarHBondContact O-CG 3.31Å; L325-M329 PolarHBondContact O-N 2.87Å
326E96.6Very high93.1Very high55 Ų5553.3 Ų53.326%0.25727%0.27SS..Hα-helixtrans-63.3-43.3179.2-166.2-161.1-172.600110.7L155 F322 D323 F328 M329 K330L155-E326 HydrophobicContact CD2-CB 4.08Å; F322-E326 WeakPolarHBondContact O-CB 3.49Å; F322-E326 PolarHBondContact O-N 2.76Å; D323-E326 PolarHBondContact O-N 2.88Å; E326-F328 VanDerWaalsContact C-N 3.33Å; E326-F328 PolarHBondContact O-N 3.34Å; E326-M329 PolarHBondContact O-N 3.24Å; E326-K330 VanDerWaalsContact CD-CE 3.42Å; E326-K330 HydrophobicContact CG-CD 4.27Å; E326-K330 WeakPolarHBondContact O-CB 3.29Å; E326-K330 WeakPolarHBondContact O-CG 3.37Å; E326-K330 PolarHBondContact O-N 2.96Å; E326-K330 WeakPolarHBondContact OE1-CE 3.26Å; E326-K330 IonicContact OE1-NZ 3.75Å; E326-K330 PolarHBondContact OE1-NZ 2.93Å; E326-K330 IonicContact OE2-NZ 3.59Å; E326-K330 PolarHBondContact OE2-NZ 3.42Å
327Q95.9Very high92Very high88 Ų8854 Ų5441%0.41129%0.285SS..Hα-helixtrans-60.2-43.9175.5-176.659.145.900111.6D323 L325 K330 D331D323-Q327 VanDerWaalsContact O-CB 3.3Å; D323-Q327 WeakPolarHBondContact O-CB 3.39Å; D323-Q327 PolarHBondContact O-N 2.87Å; L325-Q327 PolarHBondContact O-N 2.94Å; Q327-K330 PolarHBondContact O-N 3.07Å; Q327-D331 PolarHBondContact NE2-OD1 3.42Å; Q327-D331 PolarHBondContact NE2-OD2 3.28Å; Q327-D331 VanDerWaalsContact O-CG 3.24Å; Q327-D331 PolarHBondContact O-N 2.88Å
328F97Very high90.7Very high3 Ų355.1 Ų55.11%0.01329%0.29CS..Hα-helixtrans-61.8-44.4175.9175.3-106.3000112.2A226 I228 P273 L275 A324 L325 E326 D331 L332A226-F328 HydrophobicContact CB-CE1 3.94Å; A226-F328 HydrophobicContact CB-CZ 3.91Å; I228-F328 HydrophobicContact CD1-CD1 4.17Å; I228-F328 HydrophobicContact CD1-CE1 4.29Å; I228-F328 HydrophobicContact CG1-CD1 4.09Å; I228-F328 HydrophobicContact CG1-CE1 3.82Å; P273-F328 HydrophobicContact CB-CE2 4.14Å; P273-F328 HydrophobicContact CB-CZ 4.06Å; L275-F328 HydrophobicContact CB-CD1 3.84Å; L275-F328 HydrophobicContact CB-CD2 3.92Å; L275-F328 HydrophobicContact CB-CE1 3.86Å; L275-F328 HydrophobicContact CB-CE2 3.94Å; L275-F328 HydrophobicContact CB-CG 3.86Å; L275-F328 HydrophobicContact CB-CZ 3.9Å; L275-F328 HydrophobicContact CD2-CB 3.93Å; L275-F328 HydrophobicContact CD2-CD1 4.05Å; L275-F328 HydrophobicContact CD2-CG 3.99Å; L275-F328 HydrophobicContact CG-CG 4.4Å; A324-F328 PolarHBondContact O-N 3.46Å; A324-F328 VanDerWaalsContact O-N 3.13Å; L325-F328 PolarHBondContact O-N 2.85Å; E326-F328 VanDerWaalsContact C-N 3.33Å; E326-F328 PolarHBondContact O-N 3.34Å; F328-D331 PolarHBondContact O-N 3.22Å; F328-L332 WeakPolarHBondContact O-CB 3.5Å; F328-L332 PolarHBondContact O-N 2.95Å
329M95.1Very high89.5Confident5 Ų559 Ų593%0.02531%0.306CS..Hα-helixtrans-65.5-39.8177.9-69.6-63.1-67.500112.2P129 L155 V202 I228 L325 E326 L332 L333P129-M329 HydrophobicContact CB-CE 3.9Å; P129-M329 HydrophobicContact CG-CE 3.52Å; L155-M329 HydrophobicContact CB-CG 4.49Å; L155-M329 HydrophobicContact CD1-CG 4.49Å; L155-M329 HydrophobicContact CD2-CG 4.34Å; V202-M329 HydrophobicContact CG1-SD 4.25Å; V202-M329 HydrophobicContact CG2-CE 3.97Å; V202-M329 HydrophobicContact CG2-SD 4.11Å; I228-M329 HydrophobicContact CD1-SD 4.43Å; L325-M329 VanDerWaalsContact O-CG 3.29Å; L325-M329 WeakPolarHBondContact O-CG 3.31Å; L325-M329 PolarHBondContact O-N 2.87Å; E326-M329 PolarHBondContact O-N 3.24Å; M329-L332 WeakPolarHBondContact O-CB 3.39Å; M329-L332 PolarHBondContact O-N 3.21Å; M329-L332 HydrophobicContact SD-CD2 4.32Å; M329-L333 WeakPolarHBondContact O-CG 3.41Å; M329-L333 PolarHBondContact O-N 3.3Å
330K92.3Very high88.2Confident86 Ų8654.8 Ų54.837%0.37429%0.286SS..Hα-helixtrans-61.6-43.7174.8-77.5171.2178.81610111.6E326 Q327 L333 K334E326-K330 VanDerWaalsContact CD-CE 3.42Å; E326-K330 HydrophobicContact CG-CD 4.27Å; E326-K330 WeakPolarHBondContact O-CB 3.29Å; E326-K330 WeakPolarHBondContact O-CG 3.37Å; E326-K330 PolarHBondContact O-N 2.96Å; E326-K330 WeakPolarHBondContact OE1-CE 3.26Å; E326-K330 IonicContact OE1-NZ 3.75Å; E326-K330 PolarHBondContact OE1-NZ 2.93Å; E326-K330 IonicContact OE2-NZ 3.59Å; E326-K330 PolarHBondContact OE2-NZ 3.42Å; Q327-K330 PolarHBondContact O-N 3.07Å; K330-L333 PolarHBondContact O-N 3.28Å; K330-K334 VanDerWaalsContact O-CG 3.31Å; K330-K334 WeakPolarHBondContact O-CG 3.42Å; K330-K334 PolarHBondContact O-N 2.89Å; K330-K334 VanDerWaalsContact O-N 3.07Å
331D91.1Very high86.7Confident42 Ų4256.9 Ų56.923%0.22530%0.296CS..Hα-helixtrans-64.8-41.1178.4-68.2-15.8000111.5R303 Q327 F328 K334 S335R303-D331 IonicContact CZ-OD2 3.33Å; R303-D331 IonicContact NE-OD2 3.46Å; R303-D331 IonicContact NH2-OD2 2.71Å; R303-D331 PolarHBondContact NH2-OD2 3.46Å; Q327-D331 PolarHBondContact NE2-OD1 3.42Å; Q327-D331 PolarHBondContact NE2-OD2 3.28Å; Q327-D331 VanDerWaalsContact O-CG 3.24Å; Q327-D331 PolarHBondContact O-N 2.88Å; F328-D331 PolarHBondContact O-N 3.22Å; D331-K334 PolarHBondContact O-N 2.89Å; D331-S335 PolarHBondContact O-N 2.95Å; D331-S335 PolarHBondContact O-OG 3.18Å
332L90.4Very high85.1Confident3 Ų359.8 Ų59.82%0.01632%0.32CS..Hα-helixtrans-59.6-47.8176.1178.569.2000112.3V202 A226 P273 F328 M329 K334 S335 H336V202-L332 HydrophobicContact CG2-CD2 3.84Å; A226-L332 HydrophobicContact CB-CD1 3.99Å; A226-L332 HydrophobicContact CB-CD2 3.62Å; A226-L332 HydrophobicContact CB-CG 4.44Å; P273-L332 HydrophobicContact CB-CD1 4.03Å; P273-L332 HydrophobicContact CG-CD1 3.8Å; F328-L332 WeakPolarHBondContact O-CB 3.5Å; F328-L332 PolarHBondContact O-N 2.95Å; M329-L332 WeakPolarHBondContact O-CB 3.39Å; M329-L332 PolarHBondContact O-N 3.21Å; M329-L332 HydrophobicContact SD-CD2 4.32Å; L332-K334 VanDerWaalsContact C-N 3.34Å; L332-S335 PolarHBondContact O-N 3.22Å; L332-S335 PolarHBondContact O-OG 2.94Å; L332-H336 PolarHBondContact O-CD2 2.92Å; L332-H336 VanDerWaalsContact O-CD2 3.23Å; L332-H336 PolarHBondContact O-N 3.37Å
333L87.4Confident83.3Confident56 Ų5665.2 Ų65.229%0.29335%0.346SS..Hα-helixtrans-67.9-36.2-179.3-67.3174.6000111.6M329 K330 A337M329-L333 WeakPolarHBondContact O-CG 3.41Å; M329-L333 PolarHBondContact O-N 3.3Å; K330-L333 PolarHBondContact O-N 3.28Å; L333-A337 PolarHBondContact O-N 3.32Å; L333-A337 VanDerWaalsContact O-N 3.09Å
334K86.1Confident81.6Confident128 Ų12862.9 Ų62.956%0.55734%0.342SS*.Hα-helixtrans-65.1-45.2174.4-74.3175.3-177.3178.60112.2K330 D331 L332 H336 A337 H338K330-K334 VanDerWaalsContact O-CG 3.31Å; K330-K334 WeakPolarHBondContact O-CG 3.42Å; K330-K334 PolarHBondContact O-N 2.89Å; K330-K334 VanDerWaalsContact O-N 3.07Å; D331-K334 PolarHBondContact O-N 2.89Å; L332-K334 VanDerWaalsContact C-N 3.34Å; K334-H336 VanDerWaalsContact C-N 3.3Å; K334-H336 PolarHBondContact O-N 2.98Å; K334-A337 PolarHBondContact O-N 2.88Å; K334-H338 PolarHBondContact O-CD2 3.25Å; K334-H338 PolarHBondContact O-N 3.13Å
335S80.1Confident79.7Confident48 Ų4865.5 Ų65.534%0.33636%0.358SS..Hα-helixtrans-61.8-40.5-179.760.10000111.9D331 L332 H338 E339D331-S335 PolarHBondContact O-N 2.95Å; D331-S335 PolarHBondContact O-OG 3.18Å; L332-S335 PolarHBondContact O-N 3.22Å; L332-S335 PolarHBondContact O-OG 2.94Å; S335-H338 PolarHBondContact O-N 2.87Å; S335-E339 PolarHBondContact O-N 3.03Å; S335-E339 VanDerWaalsContact O-N 3.13Å
336H74.5Confident77.8Confident32 Ų3269.3 Ų69.315%0.14839%0.389CS..Hα-helixtrans-70.3-37.1177.7-75-49.8000113.5L332 K334 H338 E339 E340L332-H336 PolarHBondContact O-CD2 2.92Å; L332-H336 VanDerWaalsContact O-CD2 3.23Å; L332-H336 PolarHBondContact O-N 3.37Å; K334-H336 VanDerWaalsContact C-N 3.3Å; K334-H336 PolarHBondContact O-N 2.98Å; H336-H338 PolarHBondContact O-N 3.49Å; H336-E339 IonicContact CE1-OE2 2.7Å; H336-E339 IonicContact ND1-OE2 2.75Å; H336-E339 PolarHBondContact ND1-OE2 3.31Å; H336-E339 PolarHBondContact O-N 3.46Å; H336-E340 WeakPolarHBondContact O-CG 3.4Å; H336-E340 PolarHBondContact O-N 3.28Å
337A73Confident75.5Confident57 Ų5771 Ų7147%0.47141%0.408SS..Hα-helixtrans-60.4-36.6174.800000111.9L333 K334 S341L333-A337 PolarHBondContact O-N 3.32Å; L333-A337 VanDerWaalsContact O-N 3.09Å; K334-A337 PolarHBondContact O-N 2.88Å; A337-S341 VanDerWaalsContact O-CB 3.31Å; A337-S341 WeakPolarHBondContact O-CB 3.36Å; A337-S341 PolarHBondContact O-N 3.42Å; A337-S341 VanDerWaalsContact O-N 3.12Å
338H69.7Low73.2Confident143 Ų14371.8 Ų71.866%0.66242%0.418SS*.Hα-helixtrans-68.8-41.2174-75.6-64.1000112.8K334 S335 H336 A342K334-H338 PolarHBondContact O-CD2 3.25Å; K334-H338 PolarHBondContact O-N 3.13Å; S335-H338 PolarHBondContact O-N 2.87Å; H336-H338 PolarHBondContact O-N 3.49Å; H338-A342 WeakPolarHBondContact O-CB 3.47Å; H338-A342 PolarHBondContact O-N 3.2Å
339E69.8Low70.3Confident112 Ų11277.1 Ų77.152%0.52345%0.451SS..Hα-helixtrans-63.1-46.2176.1-73.2173.2167.800112.1S335 H336 S341 A342 Q343S335-E339 PolarHBondContact O-N 3.03Å; S335-E339 VanDerWaalsContact O-N 3.13Å; H336-E339 IonicContact CE1-OE2 2.7Å; H336-E339 IonicContact ND1-OE2 2.75Å; H336-E339 PolarHBondContact ND1-OE2 3.31Å; H336-E339 PolarHBondContact O-N 3.46Å; E339-S341 PolarHBondContact O-N 3.31Å; E339-A342 PolarHBondContact O-N 2.86Å; E339-Q343 WeakPolarHBondContact O-CB 3.27Å; E339-Q343 PolarHBondContact O-N 3.43Å
340E68.2Low67.6Low103 Ų10384.1 Ų84.148%0.48149%0.487SS..Hα-helixtrans-64.3-40.6179.2-73175-171.900111.7K200 H336 Q343 A344K200-E340 WeakPolarHBondContact CE-OE1 3.23Å; K200-E340 IonicContact NZ-OE1 2.79Å; K200-E340 PolarHBondContact NZ-OE1 2.99Å; H336-E340 WeakPolarHBondContact O-CG 3.4Å; H336-E340 PolarHBondContact O-N 3.28Å; E340-Q343 PolarHBondContact O-N 2.94Å; E340-A344 VanDerWaalsContact O-CB 3.32Å; E340-A344 WeakPolarHBondContact O-CB 3.47Å; E340-A344 PolarHBondContact O-N 2.92Å
341S66Low65.1Low72 Ų7290.7 Ų90.750%0.50352%0.524SS..Hα-helixtrans-66.1-41.1175.8179.80000112.9A337 E339 S345A337-S341 VanDerWaalsContact O-CB 3.31Å; A337-S341 WeakPolarHBondContact O-CB 3.36Å; A337-S341 PolarHBondContact O-N 3.42Å; A337-S341 VanDerWaalsContact O-N 3.12Å; E339-S341 PolarHBondContact O-N 3.31Å; S341-S345 WeakPolarHBondContact O-CB 3.39Å; S341-S345 PolarHBondContact O-N 2.97Å; S341-S345 PolarHBondContact O-OG 3.47Å
342A62.7Low63.8Low61 Ų6193.1 Ų93.150%0.50454%0.538SS..Hα-helixtrans-65.7-41176.100000111.7H338 E339 S345 A346H338-A342 WeakPolarHBondContact O-CB 3.47Å; H338-A342 PolarHBondContact O-N 3.2Å; E339-A342 PolarHBondContact O-N 2.86Å; A342-S345 PolarHBondContact O-N 3.19Å; A342-A346 WeakPolarHBondContact O-CB 3.23Å; A342-A346 PolarHBondContact O-N 2.96Å
343Q60.1Low62.4Low140 Ų14097.8 Ų97.865%0.65457%0.566SS**Hα-helixtrans-70.7-37.8179.1-160.2168.96.600112E339 E340 A346 S347E339-Q343 WeakPolarHBondContact O-CB 3.27Å; E339-Q343 PolarHBondContact O-N 3.43Å; E340-Q343 PolarHBondContact O-N 2.94Å; Q343-A346 PolarHBondContact O-N 2.93Å; Q343-S347 WeakPolarHBondContact O-CB 3.44Å; Q343-S347 PolarHBondContact O-N 3.44Å; Q343-S347 VanDerWaalsContact O-N 3.15Å; Q343-S347 PolarHBondContact O-OG 3.45Å
344A61Low61Low57 Ų57100.2 Ų100.247%0.47158%0.581SS.*Hα-helixtrans-63.8-43.7172.700000111.9E340 A346 S347 V348E340-A344 VanDerWaalsContact O-CB 3.32Å; E340-A344 WeakPolarHBondContact O-CB 3.47Å; E340-A344 PolarHBondContact O-N 2.92Å; A344-A346 VanDerWaalsContact C-N 3.35Å; A344-A346 PolarHBondContact O-N 3.18Å; A344-S347 PolarHBondContact O-N 3.48Å; A344-V348 PolarHBondContact O-N 2.87Å
345S59.6Low59.6Low85 Ų8598.5 Ų98.559%0.59458%0.583SS**Hα-helixtrans-66.1-35.2178.3-57.60000112.7S341 A342 S347S341-S345 WeakPolarHBondContact O-CB 3.39Å; S341-S345 PolarHBondContact O-N 2.97Å; S341-S345 PolarHBondContact O-OG 3.47Å; A342-S345 PolarHBondContact O-N 3.19Å; S345-S347 VanDerWaalsContact C-N 3.31Å
346A56.4Low58.3Low79 Ų79101.7 Ų101.765%0.65360%0.598SS**Hα-helixtrans-72.7-21.9174.800000113.6A342 Q343 A344A342-A346 WeakPolarHBondContact O-CB 3.23Å; A342-A346 PolarHBondContact O-N 2.96Å; Q343-A346 PolarHBondContact O-N 2.93Å; A344-A346 VanDerWaalsContact C-N 3.35Å; A344-A346 PolarHBondContact O-N 3.18Å
347S49.3Very low57.2Low92 Ų92106.3 Ų106.364%0.64363%0.628SS**Hα-helixtrans-85.5-16.5179.7-53.30000113.1Q343 A344 S345 T349Q343-S347 WeakPolarHBondContact O-CB 3.44Å; Q343-S347 PolarHBondContact O-N 3.44Å; Q343-S347 VanDerWaalsContact O-N 3.15Å; Q343-S347 PolarHBondContact O-OG 3.45Å; A344-S347 PolarHBondContact O-N 3.48Å; S345-S347 VanDerWaalsContact C-N 3.31Å; S347-T349 PolarHBondContact O-N 2.93Å
348V47.6Very low56.1Low103 Ų103109.9 Ų109.962%0.62464%0.639SS**  trans-89.682.9175.3-177.60000108.6A344 I350A344-V348 PolarHBondContact O-N 2.87Å; V348-I350 HydrophobicContact CG1-CG1 3.94Å; V348-I350 PolarHBondContact O-N 3.42Å
349T36Very low55Low116 Ų116107.3 Ų107.371%0.71264%0.637SS**  trans-81.5103.1161-540000107.1S347 I351S347-T349 PolarHBondContact O-N 2.93Å; T349-I351 PolarHBondContact O-N 3.44Å
350I39Very low53.8Low152 Ų152106.9 Ų106.978%0.77965%0.647SS**  trans-70.7112.8167.3-56.5178000106.1V348V348-I350 HydrophobicContact CG1-CG1 3.94Å; V348-I350 PolarHBondContact O-N 3.42Å
351I39.6Very low52.5Low223 Ų223107.3 Ų107.3100%1.14466%0.662SS**  trans-830165.5-49.3178.7000108.1T349T349-I351 PolarHBondContact O-N 3.44Å

Retrieved 351 of 351 residues in 173.8 ms (Link to these results)

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