A0A3Q0KMD9_SCHMA Loading...

Thyrotropin-releasing hormone receptor

Receptor for thyrotropin-releasing hormone (TRH). Upon ligand binding, this G protein-coupled receptor triggers activation of the phosphatidylinositol (IP3)-calcium-protein kinase C (PKC) pathway.

AlphaFold DB , UniProt , Accession A0A3Q0KMD9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 354 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
1M33.2Very low38Very low235 Ų235144.5 Ų144.5100%1.15876%0.761SS**  0129.80-73.2167.9-177.100106.8
2D38.4Very low38.7Very low133 Ų133147.7 Ų147.771%0.71176%0.763SS**  trans83.747166-49.7-22.4000121.2
3T43Very low39.3Very low126 Ų126149.2 Ų149.277%0.77377%0.774SS**SBendtrans-94.8-6.2150.843.10000113.8
4N38.4Very low40.6Very low126 Ų126143.1 Ų143.167%0.67474%0.742SS**SBendtrans-91.1-2.6176.1-79.8-8.7000114.1T6N4-T6 PolarHBondContact O-N 3.09Å
5F36.7Very low42.3Very low147 Ų147139.9 Ų139.965%0.64574%0.736SS**THydrogen-bonded Turntrans-80.2-14.5-175.8-152.8-96.8000113.9
6T37.8Very low44.4Very low119 Ų119137.2 Ų137.273%0.7372%0.722SS**THydrogen-bonded Turntrans-88.2-14.2-179.340.90000114.6N4N4-T6 PolarHBondContact O-N 3.09Å
7L38.9Very low46.4Very low144 Ų144132.6 Ų132.675%0.75470%0.697SS**THydrogen-bonded Turntrans-90.8-27.4-179.9-78.2165.9000113.9
8L35.3Very low48.2Very low142 Ų142130 Ų13074%0.74369%0.689SS**THydrogen-bonded Turntrans-86.4-7.7-169.2-75.6164.8000115.5
9N35Very low50Low136 Ų136126.6 Ų126.673%0.72767%0.671SS**THydrogen-bonded Turntrans-110.110-178-110.9-7.4000115.6N11N9-N11 PolarHBondContact O-N 3.5Å; N9-N11 VanDerWaalsContact O-N 3.09Å
10M40.1Very low51.8Low136 Ų136125.1 Ų125.167%0.6766%0.662SS**  trans-83.943.5165.9-68.9-109.1-84.800111K12 I14M10-K12 PolarHBondContact O-N 3.09Å; M10-K12 VanDerWaalsContact O-N 3.09Å; M10-I14 HydrophobicContact CE-CD1 3.67Å; M10-I14 HydrophobicContact SD-CD1 3.65Å
11N41.2Very low53.7Low146 Ų146124 Ų12478%0.78166%0.656SS**  trans-86.140.4-176.7-133.68.9000112.7N9N9-N11 PolarHBondContact O-N 3.5Å; N9-N11 VanDerWaalsContact O-N 3.09Å
12K46.2Very low56.5Low182 Ų182113.3 Ų113.379%0.79160%0.603SS**SBendtrans-134.382.2171.4-81.6-172.6178.3177.10109.8M10 I14M10-K12 PolarHBondContact O-N 3.09Å; M10-K12 VanDerWaalsContact O-N 3.09Å; K12-I14 PolarHBondContact O-N 2.79Å
13N47.5Very low59.2Low168 Ų168110 Ų11090%0.89859%0.59SS**  trans29.255154.5-66.6-10.4000114.8S15N13-S15 VanDerWaalsContact C-N 3.3Å; N13-S15 PolarHBondContact O-N 2.87Å
14I57.2Low61.7Low64 Ų64109.7 Ų109.733%0.32858%0.583SS.*  trans-74.398.3168.1-60.9177.6000103.9M10 K12 L16 Y174M10-I14 HydrophobicContact CE-CD1 3.67Å; M10-I14 HydrophobicContact SD-CD1 3.65Å; K12-I14 PolarHBondContact O-N 2.79Å; I14-L16 VanDerWaalsContact C-N 3.31Å; I14-L16 HydrophobicContact CG2-CD2 4.28Å; I14-L16 PolarHBondContact O-N 2.99Å; I14-Y174 HydrophobicContact CG2-CD2 4.15Å; I14-Y174 HydrophobicContact CG2-CG 3.94Å
15S65.1Low64.5Low94 Ų94107.4 Ų107.466%0.65758%0.575SS**  trans-61.799.3168.555.70000107.2N13 I17N13-S15 VanDerWaalsContact C-N 3.3Å; N13-S15 PolarHBondContact O-N 2.87Å; S15-I17 PolarHBondContact O-N 3.49Å
16L76.4Confident67.4Low97 Ų97100.5 Ų100.551%0.50855%0.545SS..PPolyproline II helixtrans-64.8116.8173.4-67.5169000107.4I14 E176I14-L16 VanDerWaalsContact C-N 3.31Å; I14-L16 HydrophobicContact CG2-CD2 4.28Å; I14-L16 PolarHBondContact O-N 2.99Å; L16-E176 HydrophobicContact CB-CG 4.31Å; L16-E176 HydrophobicContact CD1-CG 4.24Å
17I77.9Confident70.2Confident60 Ų6097 Ų9731%0.30852%0.52SS..PPolyproline II helixtrans-86.4132.1178.3-56.8176.9000107.6S15 L19 Q173 Y174 S175S15-I17 PolarHBondContact O-N 3.49Å; I17-L19 PolarHBondContact O-N 3.01Å; I17-Q173 HydrophobicContact CD1-CB 4.41Å; I17-Q173 HydrophobicContact CD1-CG 4.41Å; I17-Y174 PolarHBondContact N-O 3.47Å; I17-S175 WeakPolarHBondContact O-CA 3.37Å; I17-S175 VanDerWaalsContact O-CB 3.26Å; I17-S175 WeakPolarHBondContact O-CB 3.34Å
18P79.8Confident73Confident85 Ų8594.5 Ų94.555%0.55251%0.507SS*.PPolyproline II helixtrans-61.7139.4174.325.9-34000110.3I20P18-I20 HydrophobicContact CG-CG1 4.46Å; P18-I20 PolarHBondContact O-N 3Å
19L81.7Confident76Confident66 Ų6691 Ų9135%0.34649%0.491SS..  trans-73.899.8175.1-16778000109.5I17 P91 Y177I17-L19 PolarHBondContact O-N 3.01Å; L19-P91 HydrophobicContact CD1-CB 3.48Å; L19-P91 VanDerWaalsContact CD1-CB 3.48Å; L19-P91 HydrophobicContact CD1-CG 3.67Å; L19-P91 HydrophobicContact CD2-CG 4.16Å; L19-P91 HydrophobicContact CG-CB 3.94Å; L19-P91 HydrophobicContact CG-CG 4.08Å; L19-Y177 HydrophobicContact CB-CD2 3.98Å; L19-Y177 HydrophobicContact CB-CE2 4.3Å; L19-Y177 HydrophobicContact CD2-CD2 4.18Å
20I86.4Confident79Confident95 Ų9584.6 Ų84.649%0.48746%0.457SS..PPolyproline II helixtrans-88.3125.9-179-60169.9000109.5P18 Y92P18-I20 HydrophobicContact CG-CG1 4.46Å; P18-I20 PolarHBondContact O-N 3Å; I20-Y92 VanDerWaalsContact O-CB 3.3Å; I20-Y92 WeakPolarHBondContact O-CB 3.34Å; I20-Y92 PolarHBondContact O-N 3.24Å
21L91Very high81.7Confident104 Ų10479.1 Ų79.155%0.54543%0.431SS..BIsolated β-bridgetrans-102147.8170.9-64.8172.1000110.3P91L21-P91 HydrophobicContact CD2-CG 4.37Å
22Y93.4Very high84.4Confident9 Ų977.3 Ų77.34%0.03542%0.42CS..PPolyproline II helixtrans-62.4141.4169.8-71.2-66.7000111.4Y26 K27 E87 F88 Y92 R315Y22-Y26 AromaticContact CD1-CD1 3.39Å; Y22-Y26 HydrophobicContact CD1-CD1 3.39Å; Y22-Y26 AromaticContact CD1-CE1 3.26Å; Y22-Y26 HydrophobicContact CD1-CE1 3.26Å; Y22-Y26 HydrophobicContact CD1-CG 4.31Å; Y22-Y26 HydrophobicContact CE1-CD1 4.07Å; Y22-Y26 AromaticContact CE1-CE1 3.44Å; Y22-Y26 HydrophobicContact CE1-CE1 3.44Å; Y22-Y26 VanDerWaalsContact CE1-CE1 3.44Å; Y22-Y26 AromaticContact CG-CD1 3.82Å; Y22-Y26 HydrophobicContact CG-CD1 3.82Å; Y22-Y26 AromaticContact CG-CE1 3.92Å; Y22-Y26 HydrophobicContact CG-CE1 3.92Å; Y22-K27 WeakPolarHBondContact O-CE 3.42Å; Y22-K27 PolarHBondContact O-NZ 3.21Å; Y22-E87 HydrophobicContact CE2-CG 4.18Å; Y22-E87 WeakPolarHBondContact CE2-O 3.35Å; Y22-E87 PolarHBondContact OH-OE1 2.56Å; Y22-F88 HydrophobicContact CD2-CD1 4.35Å; Y22-F88 HydrophobicContact CE2-CD1 4.41Å; Y22-Y92 HydrophobicContact CD1-CD2 4.43Å; Y22-Y92 AromaticContact CE1-CD2 3.57Å; Y22-Y92 HydrophobicContact CE1-CD2 3.57Å; Y22-Y92 AromaticContact CE1-CE2 3.82Å; Y22-Y92 HydrophobicContact CE1-CE2 3.82Å; Y22-Y92 HydrophobicContact CE2-CD2 4.29Å; Y22-Y92 AromaticContact CZ-CD2 3.49Å; Y22-Y92 VanDerWaalsContact CZ-CD2 3.49Å; Y22-Y92 AromaticContact CZ-CE2 3.91Å; Y22-Y92 WeakPolarHBondContact OH-CD2 3.23Å; Y22-Y92 WeakPolarHBondContact OH-CE2 3.26Å; Y22-R315 PolarHBondContact OH-NH2 3.46Å
23S95Very high86.9Confident64 Ų6470 Ų7045%0.44839%0.392SS..PPolyproline II helixtrans-64.7150.2175.369.50000110.9Y26 K27S23-Y26 PolarHBondContact O-N 3.35Å; S23-Y26 VanDerWaalsContact O-N 3.17Å; S23-Y26 VanDerWaalsContact OG-CB 3.31Å; S23-Y26 WeakPolarHBondContact OG-CB 3.47Å; S23-Y26 PolarHBondContact OG-N 3Å; S23-K27 WeakPolarHBondContact O-CG 3.43Å; S23-K27 PolarHBondContact O-N 2.76Å
24L95.9Very high89.3Confident119 Ų11962 Ų6262%0.62335%0.35SS*.Hα-helixtrans-55.8-45.5179.7179.264.7000112.7Y26 K27 L28L24-Y26 VanDerWaalsContact C-N 3.33Å; L24-Y26 PolarHBondContact O-N 2.9Å; L24-K27 PolarHBondContact O-N 3.27Å; L24-L28 HydrophobicContact CD1-CD1 4.08Å; L24-L28 HydrophobicContact CD1-CD2 4.42Å; L24-L28 HydrophobicContact CD1-CG 3.99Å; L24-L28 HydrophobicContact CG-CD1 3.97Å; L24-L28 HydrophobicContact CG-CG 4.31Å; L24-L28 WeakPolarHBondContact O-CG 3.24Å; L24-L28 PolarHBondContact O-N 2.93Å
25P97.3Very high91.2Very high78 Ų7861 Ų6151%0.50635%0.348SS..Hα-helixtrans-59.8-41.6176.6-24.935.5000113.1L28 V29 W313P25-L28 PolarHBondContact O-N 2.9Å; P25-V29 WeakPolarHBondContact O-CG2 3.24Å; P25-V29 PolarHBondContact O-N 2.93Å; P25-W313 HydrophobicContact CB-CH2 4.3Å; P25-W313 HydrophobicContact CB-CZ2 4.38Å
26Y96.2Very high92.7Very high2 Ų260.6 Ų60.61%0.00834%0.342CS..Hα-helixtrans-63.9-45178.2-176.6-88.2000111.4Y22 S23 L24 G30 F88 L312 W313 M316Y22-Y26 AromaticContact CD1-CD1 3.39Å; Y22-Y26 HydrophobicContact CD1-CD1 3.39Å; Y22-Y26 AromaticContact CD1-CE1 3.26Å; Y22-Y26 HydrophobicContact CD1-CE1 3.26Å; Y22-Y26 HydrophobicContact CD1-CG 4.31Å; Y22-Y26 HydrophobicContact CE1-CD1 4.07Å; Y22-Y26 AromaticContact CE1-CE1 3.44Å; Y22-Y26 HydrophobicContact CE1-CE1 3.44Å; Y22-Y26 VanDerWaalsContact CE1-CE1 3.44Å; Y22-Y26 AromaticContact CG-CD1 3.82Å; Y22-Y26 HydrophobicContact CG-CD1 3.82Å; Y22-Y26 AromaticContact CG-CE1 3.92Å; Y22-Y26 HydrophobicContact CG-CE1 3.92Å; S23-Y26 PolarHBondContact O-N 3.35Å; S23-Y26 VanDerWaalsContact O-N 3.17Å; S23-Y26 VanDerWaalsContact OG-CB 3.31Å; S23-Y26 WeakPolarHBondContact OG-CB 3.47Å; S23-Y26 PolarHBondContact OG-N 3Å; L24-Y26 VanDerWaalsContact C-N 3.33Å; L24-Y26 PolarHBondContact O-N 2.9Å; Y26-G30 PolarHBondContact O-N 3.45Å; Y26-F88 HydrophobicContact CD1-CD1 4.26Å; Y26-F88 HydrophobicContact CD1-CE1 4.23Å; Y26-F88 AromaticContact CE1-CD1 3.77Å; Y26-F88 HydrophobicContact CE1-CD1 3.77Å; Y26-F88 AromaticContact CE1-CE1 3.46Å; Y26-F88 HydrophobicContact CE1-CE1 3.46Å; Y26-F88 VanDerWaalsContact CE1-CE1 3.46Å; Y26-F88 HydrophobicContact CE1-CZ 4.46Å; Y26-L312 HydrophobicContact CD2-CB 4.38Å; Y26-L312 HydrophobicContact CE2-CB 3.86Å; Y26-L312 WeakPolarHBondContact CE2-O 3.35Å; Y26-W313 HydrophobicContact CD2-CD2 4.29Å; Y26-W313 HydrophobicContact CD2-CE3 4.44Å; Y26-M316 HydrophobicContact CD2-CE 3.99Å; Y26-M316 HydrophobicContact CD2-SD 3.97Å; Y26-M316 HydrophobicContact CE1-SD 4.35Å; Y26-M316 HydrophobicContact CE2-CB 3.64Å; Y26-M316 HydrophobicContact CE2-CE 4.09Å; Y26-M316 HydrophobicContact CE2-CG 4.24Å; Y26-M316 HydrophobicContact CE2-SD 3.74Å; Y26-M316 HydrophobicContact CG-SD 4.38Å
27K96.6Very high93.8Very high47 Ų4756.5 Ų56.520%0.20432%0.32CS..Hα-helixtrans-59-47.5174.8-69.1178.8179.2167.50111.6Y22 S23 L24 T31 F88Y22-K27 WeakPolarHBondContact O-CE 3.42Å; Y22-K27 PolarHBondContact O-NZ 3.21Å; S23-K27 WeakPolarHBondContact O-CG 3.43Å; S23-K27 PolarHBondContact O-N 2.76Å; L24-K27 PolarHBondContact O-N 3.27Å; K27-T31 VanDerWaalsContact O-CB 3.26Å; K27-T31 WeakPolarHBondContact O-CB 3.27Å; K27-T31 PolarHBondContact O-N 2.79Å; K27-T31 PolarHBondContact O-OG1 2.87Å; K27-F88 WeakPolarHBondContact CD-O 3.23Å; K27-F88 WeakPolarHBondContact CE-O 3.29Å; K27-F88 HydrophobicContact CG-CB 4.34Å; K27-F88 WeakPolarHBondContact CG-O 3.24Å
28L97.5Very high94.7Very high91 Ų9155.4 Ų55.448%0.47632%0.315SS..Hα-helixtrans-64.2-50.1-178-70175.4000111.9L24 P25 G30 I32L24-L28 HydrophobicContact CD1-CD1 4.08Å; L24-L28 HydrophobicContact CD1-CD2 4.42Å; L24-L28 HydrophobicContact CD1-CG 3.99Å; L24-L28 HydrophobicContact CG-CD1 3.97Å; L24-L28 HydrophobicContact CG-CG 4.31Å; L24-L28 WeakPolarHBondContact O-CG 3.24Å; L24-L28 PolarHBondContact O-N 2.93Å; P25-L28 PolarHBondContact O-N 2.9Å; L28-G30 PolarHBondContact O-N 2.89Å; L28-I32 WeakPolarHBondContact O-CB 3.33Å; L28-I32 WeakPolarHBondContact O-CD1 3.38Å; L28-I32 WeakPolarHBondContact O-CG1 3.39Å; L28-I32 PolarHBondContact O-N 3.09Å
29V98Very high95.5Very high69 Ų6955.1 Ų55.142%0.41831%0.311SS..Hα-helixtrans-61.7-46.8179173.60000110.6P25 S33 W313 M316P25-V29 WeakPolarHBondContact O-CG2 3.24Å; P25-V29 PolarHBondContact O-N 2.93Å; V29-S33 VanDerWaalsContact O-CB 3.28Å; V29-S33 WeakPolarHBondContact O-CB 3.42Å; V29-S33 PolarHBondContact O-N 2.93Å; V29-S33 PolarHBondContact O-OG 3.16Å; V29-W313 HydrophobicContact CB-CZ3 4.27Å; V29-W313 HydrophobicContact CG1-CZ3 4.32Å; V29-W313 HydrophobicContact CG2-CH2 4.33Å; V29-W313 HydrophobicContact CG2-CZ3 4.24Å; V29-M316 HydrophobicContact CB-CE 4.04Å; V29-M316 HydrophobicContact CG1-CE 3.61Å; V29-M316 HydrophobicContact CG1-SD 4.49Å
30G97.9Very high96.2Very high0 Ų054.8 Ų54.80%031%0.312CS..Hα-helixtrans-60.6-54178.100000112.3Y26 L28 I32 S33 L34 M316Y26-G30 PolarHBondContact O-N 3.45Å; L28-G30 PolarHBondContact O-N 2.89Å; G30-I32 PolarHBondContact O-N 3.14Å; G30-S33 PolarHBondContact O-OG 3.15Å; G30-S33 VanDerWaalsContact O-OG 3.09Å; G30-L34 VanDerWaalsContact O-CB 3.28Å; G30-L34 WeakPolarHBondContact O-CB 3.26Å; G30-L34 VanDerWaalsContact O-CG 3.24Å; G30-L34 WeakPolarHBondContact O-CG 3.4Å; G30-L34 PolarHBondContact O-N 3.12Å; G30-M316 VanDerWaalsContact CA-SD 3.57Å
31T97.8Very high96.8Very high21 Ų2150.2 Ų50.213%0.12929%0.288CS..Hα-helixtrans-60.7-48.1-179.1-65.10000111.5K27 S35 Y89K27-T31 VanDerWaalsContact O-CB 3.26Å; K27-T31 WeakPolarHBondContact O-CB 3.27Å; K27-T31 PolarHBondContact O-N 2.79Å; K27-T31 PolarHBondContact O-OG1 2.87Å; T31-S35 WeakPolarHBondContact O-CB 3.48Å; T31-S35 PolarHBondContact O-N 3.04Å; T31-S35 PolarHBondContact O-OG 3.37Å; T31-Y89 HydrophobicContact CG2-CE2 4.35Å; T31-Y89 VanDerWaalsContact CG2-OH 3.23Å; T31-Y89 WeakPolarHBondContact CG2-OH 3.41Å; T31-Y89 WeakPolarHBondContact OG1-CE2 3.35Å; T31-Y89 PolarHBondContact OG1-OH 3.33Å
32I97.9Very high97.1Very high108 Ų10846.7 Ų46.755%0.55427%0.271SS*.Hα-helixtrans-62.8-51.4-177-68168000110.2L28 G30 L34 S35 V36L28-I32 WeakPolarHBondContact O-CB 3.33Å; L28-I32 WeakPolarHBondContact O-CD1 3.38Å; L28-I32 WeakPolarHBondContact O-CG1 3.39Å; L28-I32 PolarHBondContact O-N 3.09Å; G30-I32 PolarHBondContact O-N 3.14Å; I32-L34 PolarHBondContact O-N 2.95Å; I32-S35 PolarHBondContact O-N 3.48Å; I32-V36 WeakPolarHBondContact O-CG2 3.46Å; I32-V36 PolarHBondContact O-N 3.23Å; I32-V36 VanDerWaalsContact O-N 3.11Å
33S98Very high97.2Very high30 Ų3050.3 Ų50.321%0.2129%0.29CS..Hα-helixtrans-61.6-47.3-178.258.90000112.2V29 G30 V36 I37 I320V29-S33 VanDerWaalsContact O-CB 3.28Å; V29-S33 WeakPolarHBondContact O-CB 3.42Å; V29-S33 PolarHBondContact O-N 2.93Å; V29-S33 PolarHBondContact O-OG 3.16Å; G30-S33 PolarHBondContact O-OG 3.15Å; G30-S33 VanDerWaalsContact O-OG 3.09Å; S33-V36 PolarHBondContact O-N 3.35Å; S33-I37 VanDerWaalsContact O-CG1 3.31Å; S33-I37 WeakPolarHBondContact O-CG1 3.45Å; S33-I37 PolarHBondContact O-N 3.15Å; S33-I320 VanDerWaalsContact OG-CD1 3.25Å; S33-I320 WeakPolarHBondContact OG-CD1 3.29Å
34L98.1Very high97.3Very high0 Ų047.9 Ų47.90%028%0.275CS..Hα-helixtrans-71.6-33.5-178.9-64.1-172.4000112.9G30 I32 V36 I37 L38 T81 M84 V85 F88 I320 F323G30-L34 VanDerWaalsContact O-CB 3.28Å; G30-L34 WeakPolarHBondContact O-CB 3.26Å; G30-L34 VanDerWaalsContact O-CG 3.24Å; G30-L34 WeakPolarHBondContact O-CG 3.4Å; G30-L34 PolarHBondContact O-N 3.12Å; I32-L34 PolarHBondContact O-N 2.95Å; L34-V36 VanDerWaalsContact C-N 3.34Å; L34-I37 HydrophobicContact CD2-CD1 4.3Å; L34-I37 PolarHBondContact O-N 3.36Å; L34-L38 WeakPolarHBondContact O-CB 3.35Å; L34-L38 PolarHBondContact O-N 2.92Å; L34-T81 HydrophobicContact CB-CG2 4.11Å; L34-T81 HydrophobicContact CD2-CG2 4.26Å; L34-M84 HydrophobicContact CD1-CB 3.79Å; L34-M84 HydrophobicContact CD1-CE 4.27Å; L34-M84 HydrophobicContact CD1-CG 3.45Å; L34-M84 VanDerWaalsContact CD1-CG 3.45Å; L34-M84 HydrophobicContact CD1-SD 3.56Å; L34-M84 VanDerWaalsContact CD1-SD 3.56Å; L34-V85 HydrophobicContact CB-CG2 3.56Å; L34-V85 HydrophobicContact CD1-CG2 4.08Å; L34-F88 HydrophobicContact CD1-CE2 3.63Å; L34-F88 HydrophobicContact CD1-CZ 3.9Å; L34-F88 HydrophobicContact CG-CE2 4.42Å; L34-I320 HydrophobicContact CD2-CG1 3.8Å; L34-F323 HydrophobicContact CD2-CD2 3.79Å; L34-F323 HydrophobicContact CD2-CE2 4.48Å
35S97.3Very high97.3Very high43 Ų4342.2 Ų42.230%0.30125%0.245SC..Hα-helixtrans-66.6-38.2175.8-60.10000111.5T31 I32 T39T31-S35 WeakPolarHBondContact O-CB 3.48Å; T31-S35 PolarHBondContact O-N 3.04Å; T31-S35 PolarHBondContact O-OG 3.37Å; I32-S35 PolarHBondContact O-N 3.48Å; S35-T39 VanDerWaalsContact O-CB 3.32Å; S35-T39 WeakPolarHBondContact O-CB 3.38Å; S35-T39 PolarHBondContact O-N 3.19Å; S35-T39 PolarHBondContact O-OG1 3.42Å
36V97.6Very high97.3Very high85 Ų8542 Ų4252%0.51524%0.239SC..Hα-helixtrans-64.6-49.1172.6171.80000110.6I32 S33 L34 L38 T39 V40I32-V36 WeakPolarHBondContact O-CG2 3.46Å; I32-V36 PolarHBondContact O-N 3.23Å; I32-V36 VanDerWaalsContact O-N 3.11Å; S33-V36 PolarHBondContact O-N 3.35Å; L34-V36 VanDerWaalsContact C-N 3.34Å; V36-L38 VanDerWaalsContact C-N 3.33Å; V36-L38 PolarHBondContact O-N 3.02Å; V36-T39 PolarHBondContact O-N 3.4Å; V36-V40 HydrophobicContact CG1-CG2 4.32Å; V36-V40 WeakPolarHBondContact O-CB 3.36Å; V36-V40 WeakPolarHBondContact O-CG2 3.34Å; V36-V40 PolarHBondContact O-N 3.02Å
37I98.2Very high97.2Very high10 Ų1046.2 Ų46.25%0.05126%0.258CS..Hα-helixtrans-57.5-46.5177.4-72.9170.1000111S33 L34 G41 L77 I320 F323 L324 A327S33-I37 VanDerWaalsContact O-CG1 3.31Å; S33-I37 WeakPolarHBondContact O-CG1 3.45Å; S33-I37 PolarHBondContact O-N 3.15Å; L34-I37 HydrophobicContact CD2-CD1 4.3Å; L34-I37 PolarHBondContact O-N 3.36Å; I37-G41 WeakPolarHBondContact O-CA 3.2Å; I37-G41 PolarHBondContact O-N 3.29Å; I37-L77 HydrophobicContact CG2-CD2 3.97Å; I37-I320 HydrophobicContact CD1-CG2 3.91Å; I37-F323 HydrophobicContact CG2-CB 4.02Å; I37-L324 HydrophobicContact CD1-CB 4.22Å; I37-L324 HydrophobicContact CD1-CD1 4.25Å; I37-L324 HydrophobicContact CG1-CD1 4.01Å; I37-A327 HydrophobicContact CB-CB 4.49Å; I37-A327 HydrophobicContact CG2-CB 3.82Å; I37-A327 WeakPolarHBondContact O-CB 3.46Å
38L98Very high97.1Very high38 Ų3844 Ų4420%0.19925%0.248CC..Hα-helixtrans-62.8-49.9-179.8-17466.2000110.8L34 V36 G41 V42 L77 T81L34-L38 WeakPolarHBondContact O-CB 3.35Å; L34-L38 PolarHBondContact O-N 2.92Å; V36-L38 VanDerWaalsContact C-N 3.33Å; V36-L38 PolarHBondContact O-N 3.02Å; L38-G41 PolarHBondContact O-N 2.75Å; L38-V42 HydrophobicContact CD1-CG2 3.85Å; L38-V42 HydrophobicContact CG-CG2 4.35Å; L38-V42 VanDerWaalsContact O-CB 3.24Å; L38-V42 WeakPolarHBondContact O-CB 3.48Å; L38-V42 WeakPolarHBondContact O-CG2 3.06Å; L38-V42 PolarHBondContact O-N 3.06Å; L38-L77 HydrophobicContact CD1-CB 4.07Å; L38-T81 HydrophobicContact CB-CG2 4.16Å; L38-T81 HydrophobicContact CD1-CG2 4.32Å
39T96.7Very high96.9Very high79 Ų7942.3 Ų42.349%0.48524%0.238SC..Hα-helixtrans-61.9-51.6-178.6-56.80000111.5S35 V36 I43S35-T39 VanDerWaalsContact O-CB 3.32Å; S35-T39 WeakPolarHBondContact O-CB 3.38Å; S35-T39 PolarHBondContact O-N 3.19Å; S35-T39 PolarHBondContact O-OG1 3.42Å; V36-T39 PolarHBondContact O-N 3.4Å; T39-I43 HydrophobicContact CG2-CD1 3.82Å; T39-I43 WeakPolarHBondContact O-CB 3.46Å; T39-I43 VanDerWaalsContact O-CG1 3.27Å; T39-I43 WeakPolarHBondContact O-CG1 3.31Å; T39-I43 PolarHBondContact O-N 3.17Å
40V96.5Very high96.8Very high58 Ų5842.7 Ų42.735%0.35224%0.238SC..Hα-helixtrans-64.9-45-179.3171.30000111V36 G44 I331V36-V40 HydrophobicContact CG1-CG2 4.32Å; V36-V40 WeakPolarHBondContact O-CB 3.36Å; V36-V40 WeakPolarHBondContact O-CG2 3.34Å; V36-V40 PolarHBondContact O-N 3.02Å; V40-G44 WeakPolarHBondContact O-CA 3.3Å; V40-G44 PolarHBondContact O-N 2.97Å; V40-I331 HydrophobicContact CG1-CD1 3.86Å; V40-I331 HydrophobicContact CG1-CG1 4.26Å
41G97.7Very high96.5Very high0 Ų042.8 Ų42.80%024%0.238CC..Hα-helixtrans-68-44-176.700000112.8I37 L38 N45I37-G41 WeakPolarHBondContact O-CA 3.2Å; I37-G41 PolarHBondContact O-N 3.29Å; L38-G41 PolarHBondContact O-N 2.75Å; G41-N45 WeakPolarHBondContact O-CB 3.4Å; G41-N45 PolarHBondContact O-N 3.09Å; G41-N45 PolarHBondContact O-ND2 3.38Å
42V98Very high96.3Very high30 Ų3042 Ų4218%0.18223%0.233CC..Hα-helixtrans-67-53.4-179.5170.20000110.3L38 G44 N45 I46 L74 L77 M78L38-V42 HydrophobicContact CD1-CG2 3.85Å; L38-V42 HydrophobicContact CG-CG2 4.35Å; L38-V42 VanDerWaalsContact O-CB 3.24Å; L38-V42 WeakPolarHBondContact O-CB 3.48Å; L38-V42 WeakPolarHBondContact O-CG2 3.06Å; L38-V42 PolarHBondContact O-N 3.06Å; V42-G44 VanDerWaalsContact C-N 3.32Å; V42-G44 PolarHBondContact O-N 3.49Å; V42-N45 PolarHBondContact O-N 3.05Å; V42-I46 HydrophobicContact CG1-CD1 3.73Å; V42-I46 WeakPolarHBondContact O-CB 3.49Å; V42-I46 VanDerWaalsContact O-CG1 3.27Å; V42-I46 WeakPolarHBondContact O-CG1 3.06Å; V42-I46 PolarHBondContact O-N 3.07Å; V42-L74 HydrophobicContact CB-CD2 4.33Å; V42-L74 HydrophobicContact CG1-CD2 4.26Å; V42-L74 HydrophobicContact CG2-CD2 4.38Å; V42-L77 HydrophobicContact CG2-CB 4.12Å; V42-L77 HydrophobicContact CG2-CD1 4.17Å; V42-M78 HydrophobicContact CG2-SD 4.09Å
43I96.1Very high96.1Very high85 Ų8539.9 Ų39.944%0.43623%0.226SC..Hα-helixtrans-59.9-46.6179.4-65.5173.1000110.3T39 F47T39-I43 HydrophobicContact CG2-CD1 3.82Å; T39-I43 WeakPolarHBondContact O-CB 3.46Å; T39-I43 VanDerWaalsContact O-CG1 3.27Å; T39-I43 WeakPolarHBondContact O-CG1 3.31Å; T39-I43 PolarHBondContact O-N 3.17Å; I43-F47 HydrophobicContact CG2-CD2 3.71Å; I43-F47 HydrophobicContact CG2-CE2 3.36Å; I43-F47 HydrophobicContact CG2-CZ 4.03Å; I43-F47 WeakPolarHBondContact O-CD2 3.49Å; I43-F47 WeakPolarHBondContact O-CG 3.23Å; I43-F47 PolarHBondContact O-N 2.65Å
44G95.6Very high95.9Very high12 Ų1243.8 Ų43.812%0.12424%0.244CC..Hα-helixtrans-61.5-48.9-177.800000112.9V40 V42 F47 V48V40-G44 WeakPolarHBondContact O-CA 3.3Å; V40-G44 PolarHBondContact O-N 2.97Å; V42-G44 VanDerWaalsContact C-N 3.32Å; V42-G44 PolarHBondContact O-N 3.49Å; G44-F47 PolarHBondContact O-N 3.1Å; G44-V48 VanDerWaalsContact O-CG2 3.31Å; G44-V48 WeakPolarHBondContact O-CG2 2.88Å; G44-V48 PolarHBondContact O-N 2.74Å
45N97.1Very high95.5Very high0 Ų045 Ų450%025%0.252CS..Hα-helixtrans-71.8-34.8-177.8-77.1-63.9000112.4G41 V42 F47 V48 M49 S70 L74 S326 P330G41-N45 WeakPolarHBondContact O-CB 3.4Å; G41-N45 PolarHBondContact O-N 3.09Å; G41-N45 PolarHBondContact O-ND2 3.38Å; V42-N45 PolarHBondContact O-N 3.05Å; N45-F47 VanDerWaalsContact C-N 3.35Å; N45-F47 PolarHBondContact O-N 3.41Å; N45-V48 PolarHBondContact O-N 2.98Å; N45-M49 WeakPolarHBondContact O-CG 3.45Å; N45-M49 PolarHBondContact O-N 2.98Å; N45-S70 WeakPolarHBondContact OD1-CA 3.07Å; N45-S70 WeakPolarHBondContact OD1-CB 3.31Å; N45-S70 PolarHBondContact OD1-OG 2.96Å; N45-L74 HydrophobicContact CB-CD1 4.24Å; N45-L74 HydrophobicContact CB-CD2 3.84Å; N45-L74 HydrophobicContact CB-CG 3.67Å; N45-S326 PolarHBondContact ND2-O 3.14Å; N45-P330 HydrophobicContact CB-CG 4.43Å
46I96.4Very high95.1Very high74 Ų7447.2 Ų47.238%0.37927%0.268SS..Hα-helixtrans-58.6-48.3169.8-71.3169.5000110.1V42 V48 M49 L50 L74V42-I46 HydrophobicContact CG1-CD1 3.73Å; V42-I46 WeakPolarHBondContact O-CB 3.49Å; V42-I46 VanDerWaalsContact O-CG1 3.27Å; V42-I46 WeakPolarHBondContact O-CG1 3.06Å; V42-I46 PolarHBondContact O-N 3.07Å; I46-V48 PolarHBondContact O-N 3.08Å; I46-M49 PolarHBondContact O-N 3.43Å; I46-L50 HydrophobicContact CG2-CD1 3.76Å; I46-L50 HydrophobicContact CG2-CG 4.23Å; I46-L50 WeakPolarHBondContact O-CG 3.24Å; I46-L50 PolarHBondContact O-N 3.33Å; I46-L74 HydrophobicContact CG1-CD1 3.93Å; I46-L74 HydrophobicContact CG1-CD2 4.01Å
47F94.1Very high94.7Very high90 Ų9051.1 Ų51.140%0.39528%0.277SS..Hα-helixtrans-62.8-39.5177.4-75.4-29.2000113.1I43 G44 N45 M49 L50 V51I43-F47 HydrophobicContact CG2-CD2 3.71Å; I43-F47 HydrophobicContact CG2-CE2 3.36Å; I43-F47 HydrophobicContact CG2-CZ 4.03Å; I43-F47 WeakPolarHBondContact O-CD2 3.49Å; I43-F47 WeakPolarHBondContact O-CG 3.23Å; I43-F47 PolarHBondContact O-N 2.65Å; G44-F47 PolarHBondContact O-N 3.1Å; N45-F47 VanDerWaalsContact C-N 3.35Å; N45-F47 PolarHBondContact O-N 3.41Å; F47-M49 VanDerWaalsContact C-N 3.34Å; F47-L50 PolarHBondContact O-N 3.01Å; F47-V51 VanDerWaalsContact O-CB 3.26Å; F47-V51 WeakPolarHBondContact O-CB 3.31Å; F47-V51 WeakPolarHBondContact O-CG2 3.11Å; F47-V51 PolarHBondContact O-N 3.03Å
48V94Very high94.3Very high2 Ų251.6 Ų51.61%0.01228%0.28CS..Hα-helixtrans-59.2-48.9175.11710000110.1G44 N45 I46 V51 L52 S70 P330 Y333 F340G44-V48 VanDerWaalsContact O-CG2 3.31Å; G44-V48 WeakPolarHBondContact O-CG2 2.88Å; G44-V48 PolarHBondContact O-N 2.74Å; N45-V48 PolarHBondContact O-N 2.98Å; I46-V48 PolarHBondContact O-N 3.08Å; V48-V51 PolarHBondContact O-N 2.98Å; V48-L52 HydrophobicContact CG1-CD1 3.79Å; V48-L52 HydrophobicContact CG1-CG 4.39Å; V48-L52 WeakPolarHBondContact O-CB 3.43Å; V48-L52 WeakPolarHBondContact O-CG 3.31Å; V48-L52 PolarHBondContact O-N 2.78Å; V48-S70 VanDerWaalsContact CG1-OG 3.28Å; V48-S70 WeakPolarHBondContact CG1-OG 3.3Å; V48-P330 HydrophobicContact CG2-CB 3.92Å; V48-P330 HydrophobicContact CG2-CG 4.12Å; V48-Y333 HydrophobicContact CG1-CD2 4.24Å; V48-Y333 HydrophobicContact CG1-CE2 4.42Å; V48-Y333 HydrophobicContact CG2-CD2 3.81Å; V48-Y333 HydrophobicContact CG2-CE2 4.49Å; V48-F340 HydrophobicContact CG2-CE2 4.19Å; V48-F340 HydrophobicContact CG2-CZ 3.83Å
49M95.1Very high94.1Very high54 Ų5454.5 Ų54.527%0.26629%0.292SS..Hα-helixtrans-58.7-53.2177.4-70.7-179.965.500111.4N45 I46 F47 V51 L52 T53 I67 A71 L74N45-M49 WeakPolarHBondContact O-CG 3.45Å; N45-M49 PolarHBondContact O-N 2.98Å; I46-M49 PolarHBondContact O-N 3.43Å; F47-M49 VanDerWaalsContact C-N 3.34Å; M49-V51 PolarHBondContact O-N 3.47Å; M49-L52 PolarHBondContact O-N 2.88Å; M49-T53 WeakPolarHBondContact O-CB 3.49Å; M49-T53 VanDerWaalsContact O-CG2 3.31Å; M49-T53 WeakPolarHBondContact O-CG2 3.38Å; M49-T53 PolarHBondContact O-N 2.86Å; M49-T53 PolarHBondContact O-OG1 2.03Å; M49-I67 HydrophobicContact CE-CG2 4.29Å; M49-I67 HydrophobicContact CG-CG2 4.38Å; M49-A71 HydrophobicContact CE-CB 4.26Å; M49-A71 HydrophobicContact SD-CB 4.19Å; M49-L74 HydrophobicContact SD-CD1 3.67Å
50L94.2Very high94Very high77 Ų7753.1 Ų53.140%0.40328%0.284SS..Hα-helixtrans-58.7-45.4-179.7-69.4175.2000112.7I46 F47 L52 T53 L54I46-L50 HydrophobicContact CG2-CD1 3.76Å; I46-L50 HydrophobicContact CG2-CG 4.23Å; I46-L50 WeakPolarHBondContact O-CG 3.24Å; I46-L50 PolarHBondContact O-N 3.33Å; F47-L50 PolarHBondContact O-N 3.01Å; L50-L52 VanDerWaalsContact C-N 3.31Å; L50-L52 PolarHBondContact O-N 3.48Å; L50-T53 PolarHBondContact O-N 3.41Å; L50-T53 PolarHBondContact O-OG1 2.85Å; L50-L54 HydrophobicContact CB-CD1 4.34Å; L50-L54 HydrophobicContact CD2-CD1 4.37Å; L50-L54 WeakPolarHBondContact O-CB 3.43Å; L50-L54 WeakPolarHBondContact O-CG 3.46Å; L50-L54 PolarHBondContact O-N 3.49Å
51V92.5Very high93.9Very high2 Ų251.1 Ų51.11%0.01227%0.272CS..Hα-helixtrans-62.2-41.6179.8170.90000111.1F47 V48 M49 S55 L58 F340 A343 L344 L347F47-V51 VanDerWaalsContact O-CB 3.26Å; F47-V51 WeakPolarHBondContact O-CB 3.31Å; F47-V51 WeakPolarHBondContact O-CG2 3.11Å; F47-V51 PolarHBondContact O-N 3.03Å; V48-V51 PolarHBondContact O-N 2.98Å; M49-V51 PolarHBondContact O-N 3.47Å; V51-S55 WeakPolarHBondContact O-CB 3.26Å; V51-S55 PolarHBondContact O-N 3.42Å; V51-L58 HydrophobicContact CG1-CD1 3.81Å; V51-F340 HydrophobicContact CB-CE2 3.85Å; V51-F340 HydrophobicContact CB-CZ 4.3Å; V51-F340 HydrophobicContact CG1-CD2 3.84Å; V51-F340 HydrophobicContact CG1-CE2 3.66Å; V51-F340 HydrophobicContact CG1-CZ 4.35Å; V51-F340 HydrophobicContact CG2-CE2 4.28Å; V51-F340 HydrophobicContact CG2-CZ 4.24Å; V51-A343 HydrophobicContact CG1-CB 3.77Å; V51-L344 HydrophobicContact CG2-CB 4.3Å; V51-L344 HydrophobicContact CG2-CD1 3.86Å; V51-L347 HydrophobicContact CB-CD1 4.08Å; V51-L347 HydrophobicContact CG1-CD1 4.44Å; V51-L347 HydrophobicContact CG2-CD1 3.65Å
52L92.9Very high93.6Very high5 Ų551.4 Ų51.43%0.02627%0.274CS..Hα-helixtrans-78.1-31.7-176.7-66.1-177000113V48 M49 L50 L58 H59 N63 L66 I67V48-L52 HydrophobicContact CG1-CD1 3.79Å; V48-L52 HydrophobicContact CG1-CG 4.39Å; V48-L52 WeakPolarHBondContact O-CB 3.43Å; V48-L52 WeakPolarHBondContact O-CG 3.31Å; V48-L52 PolarHBondContact O-N 2.78Å; M49-L52 PolarHBondContact O-N 2.88Å; L50-L52 VanDerWaalsContact C-N 3.31Å; L50-L52 PolarHBondContact O-N 3.48Å; L52-L58 HydrophobicContact CD2-CB 4.22Å; L52-L58 HydrophobicContact CD2-CD1 3.99Å; L52-H59 PolarHBondContact O-CD2 3.14Å; L52-N63 HydrophobicContact CD1-CB 4.11Å; L52-N63 HydrophobicContact CD2-CB 3.94Å; L52-N63 HydrophobicContact CG-CB 4.44Å; L52-L66 HydrophobicContact CD1-CB 3.62Å; L52-L66 HydrophobicContact CD1-CD1 4.23Å; L52-I67 HydrophobicContact CB-CD1 3.81Å; L52-I67 HydrophobicContact CB-CG1 3.73Å; L52-I67 HydrophobicContact CD1-CG1 4.02Å
53T94.1Very high93.4Very high64 Ų6451.1 Ų51.139%0.39327%0.272SS..Hα-helixtrans-79.3-44.7177.355.60000112M49 L50 H59 I67M49-T53 WeakPolarHBondContact O-CB 3.49Å; M49-T53 VanDerWaalsContact O-CG2 3.31Å; M49-T53 WeakPolarHBondContact O-CG2 3.38Å; M49-T53 PolarHBondContact O-N 2.86Å; M49-T53 PolarHBondContact O-OG1 2.03Å; L50-T53 PolarHBondContact O-N 3.41Å; L50-T53 PolarHBondContact O-OG1 2.85Å; T53-H59 PolarHBondContact O-NE2 3.29Å; T53-I67 HydrophobicContact CG2-CD1 3.77Å; T53-I67 HydrophobicContact CG2-CG1 4.42Å
54L92.9Very high93.5Very high112 Ų11248.1 Ų48.159%0.58626%0.258SS*.Hα-helixtrans-79.3-23.7-174.3-60.2175.5000113.3L50 S56 L347L50-L54 HydrophobicContact CB-CD1 4.34Å; L50-L54 HydrophobicContact CD2-CD1 4.37Å; L50-L54 WeakPolarHBondContact O-CB 3.43Å; L50-L54 WeakPolarHBondContact O-CG 3.46Å; L50-L54 PolarHBondContact O-N 3.49Å; L54-S56 PolarHBondContact O-N 3.3Å; L54-L347 HydrophobicContact CB-CD2 4.29Å; L54-L347 HydrophobicContact CD1-CD2 4.15Å
55S90.8Very high93.5Very high26 Ų2647.7 Ų47.718%0.18225%0.252CS..  trans-92.998.1-179.6-160.90000111.9V51 K57 L58 H59V51-S55 WeakPolarHBondContact O-CB 3.26Å; V51-S55 PolarHBondContact O-N 3.42Å; S55-K57 PolarHBondContact O-N 3.32Å; S55-K57 VanDerWaalsContact O-N 3.1Å; S55-L58 WeakPolarHBondContact O-CA 3.21Å; S55-L58 WeakPolarHBondContact O-CB 3.3Å; S55-L58 PolarHBondContact O-N 3.13Å; S55-H59 PolarHBondContact O-CD2 2.88Å; S55-H59 PolarHBondContact O-N 2.96Å
56S89.1Confident93.4Very high89 Ų8948.4 Ų48.462%0.62226%0.256SS*.G310 helixtrans-53.1-34176.260.60000113.8L54 L58 H59L54-S56 PolarHBondContact O-N 3.3Å; S56-L58 PolarHBondContact O-N 3.38Å; S56-L58 VanDerWaalsContact O-N 3.14Å; S56-H59 WeakPolarHBondContact O-CB 3.28Å; S56-H59 PolarHBondContact O-N 3.3Å
57K89.5Confident93.4Very high166 Ų16646.9 Ų46.972%0.72225%0.248SC*.G310 helixtrans-65.3-13.9175.4-64.6-176.8-179.6178.50113.9S55S55-K57 PolarHBondContact O-N 3.32Å; S55-K57 VanDerWaalsContact O-N 3.1Å
58L89.8Confident93.6Very high20 Ų2042.8 Ų42.811%0.10523%0.231CC..G310 helixtrans-105.40.7176.4-61.1-176.7000112.3V51 L52 S55 S56 T60 N63 K339 A343V51-L58 HydrophobicContact CG1-CD1 3.81Å; L52-L58 HydrophobicContact CD2-CB 4.22Å; L52-L58 HydrophobicContact CD2-CD1 3.99Å; S55-L58 WeakPolarHBondContact O-CA 3.21Å; S55-L58 WeakPolarHBondContact O-CB 3.3Å; S55-L58 PolarHBondContact O-N 3.13Å; S56-L58 PolarHBondContact O-N 3.38Å; S56-L58 VanDerWaalsContact O-N 3.14Å; L58-T60 PolarHBondContact O-N 3.44Å; L58-T60 PolarHBondContact O-OG1 3.08Å; L58-N63 WeakPolarHBondContact O-CB 3.27Å; L58-N63 PolarHBondContact O-ND2 3.42Å; L58-K339 HydrophobicContact CD2-CB 4.49Å; L58-A343 HydrophobicContact CD1-CB 3.61Å; L58-A343 HydrophobicContact CG-CB 4.5Å
59H93.7Very high93.8Very high99 Ų9942.9 Ų42.946%0.45823%0.231SC..  trans-67.2101.2175.1-67.3179.5000109.8L52 T53 S55 S56 I143L52-H59 PolarHBondContact O-CD2 3.14Å; T53-H59 PolarHBondContact O-NE2 3.29Å; S55-H59 PolarHBondContact O-CD2 2.88Å; S55-H59 PolarHBondContact O-N 2.96Å; S56-H59 WeakPolarHBondContact O-CB 3.28Å; S56-H59 PolarHBondContact O-N 3.3Å; H59-I143 HydrophobicContact CB-CD1 4.2Å
60T93.3Very high93.9Very high51 Ų5140.3 Ų40.331%0.31322%0.219SC..  trans-144.7152.6-179.262.10000108.7L58 T62 N63 C64L58-T60 PolarHBondContact O-N 3.44Å; L58-T60 PolarHBondContact O-OG1 3.08Å; T60-T62 PolarHBondContact O-N 3.31Å; T60-T62 VanDerWaalsContact O-N 3.12Å; T60-N63 PolarHBondContact O-N 3.36Å; T60-N63 VanDerWaalsContact OG1-CG 3.24Å; T60-N63 PolarHBondContact OG1-N 2.83Å; T60-N63 PolarHBondContact OG1-ND2 3.29Å; T60-C64 PolarHBondContact O-N 3.07Å; T60-C64 PolarHBondContact O-SG 3.07Å
61P94.3Very high94.1Very high15 Ų1538 Ų3810%0.09721%0.211CC..Hα-helixtrans-53.2-39.1-179-18.122.8000112.6N63 C64 Y65 E126 C141 I143 A146P61-N63 PolarHBondContact O-N 3.09Å; P61-C64 VanDerWaalsContact O-CB 3.29Å; P61-C64 WeakPolarHBondContact O-CB 3.34Å; P61-C64 PolarHBondContact O-N 2.81Å; P61-Y65 VanDerWaalsContact O-CD2 3.28Å; P61-Y65 WeakPolarHBondContact O-CD2 3.3Å; P61-Y65 PolarHBondContact O-N 3.39Å; P61-E126 HydrophobicContact CB-CG 4.36Å; P61-C141 HydrophobicContact CG-CB 4.41Å; P61-C141 WeakPolarHBondContact CG-O 3.47Å; P61-I143 HydrophobicContact CG-CG1 4.32Å; P61-A146 HydrophobicContact CB-CB 3.96Å
62T92.8Very high94.4Very high7 Ų737.9 Ų37.94%0.04321%0.21CC..Hα-helixtrans-60.4-43.6177.4-52.10000113.3T60 C64 Y65 L66 F123 R127T60-T62 PolarHBondContact O-N 3.31Å; T60-T62 VanDerWaalsContact O-N 3.12Å; T62-C64 PolarHBondContact O-N 2.84Å; T62-Y65 PolarHBondContact O-N 2.94Å; T62-L66 PolarHBondContact O-N 3.03Å; T62-L66 VanDerWaalsContact O-N 3.12Å; T62-F123 HydrophobicContact CG2-CD2 3.77Å; T62-F123 HydrophobicContact CG2-CE2 3.22Å; T62-F123 HydrophobicContact CG2-CZ 4.05Å; T62-R127 PolarHBondContact OG1-NE 3.35Å; T62-R127 PolarHBondContact OG1-NH1 2.9Å; T62-R127 PolarHBondContact OG1-NH2 2.66Å
63N93.6Very high94.6Very high24 Ų2437.7 Ų37.713%0.12821%0.209CC..Hα-helixtrans-73.2-22.4-177.8-70.5-7.7000110.9L52 L58 T60 P61 L66 I67L52-N63 HydrophobicContact CD1-CB 4.11Å; L52-N63 HydrophobicContact CD2-CB 3.94Å; L52-N63 HydrophobicContact CG-CB 4.44Å; L58-N63 WeakPolarHBondContact O-CB 3.27Å; L58-N63 PolarHBondContact O-ND2 3.42Å; T60-N63 PolarHBondContact O-N 3.36Å; T60-N63 VanDerWaalsContact OG1-CG 3.24Å; T60-N63 PolarHBondContact OG1-N 2.83Å; T60-N63 PolarHBondContact OG1-ND2 3.29Å; P61-N63 PolarHBondContact O-N 3.09Å; N63-L66 PolarHBondContact O-N 3.43Å; N63-I67 VanDerWaalsContact O-CG1 3.29Å; N63-I67 WeakPolarHBondContact O-CG1 3.07Å; N63-I67 PolarHBondContact O-N 2.92Å
64C97.3Very high94.8Very high21 Ų2136 Ų3614%0.14220%0.198CC..Hα-helixtrans-60.7-45.6167.4-55.80000111.2T60 P61 T62 L66 I67 S68 A146 I150T60-C64 PolarHBondContact O-N 3.07Å; T60-C64 PolarHBondContact O-SG 3.07Å; P61-C64 VanDerWaalsContact O-CB 3.29Å; P61-C64 WeakPolarHBondContact O-CB 3.34Å; P61-C64 PolarHBondContact O-N 2.81Å; T62-C64 PolarHBondContact O-N 2.84Å; C64-L66 VanDerWaalsContact C-N 3.33Å; C64-L66 PolarHBondContact O-N 3.29Å; C64-I67 PolarHBondContact O-N 3.48Å; C64-S68 PolarHBondContact O-N 3.16Å; C64-A146 HydrophobicContact CB-CB 4.09Å; C64-I150 VanDerWaalsContact C-CD1 3.41Å; C64-I150 HydrophobicContact CB-CD1 3.63Å; C64-I150 WeakPolarHBondContact O-CD1 3.14Å
65Y96.6Very high95.1Very high3 Ų332.7 Ų32.71%0.01218%0.18CC..Hα-helixtrans-66.2-34.9176.4-61.3-66000112.6P61 T62 I67 S68 L69 A122 F123 E126 A146 I149 I150P61-Y65 VanDerWaalsContact O-CD2 3.28Å; P61-Y65 WeakPolarHBondContact O-CD2 3.3Å; P61-Y65 PolarHBondContact O-N 3.39Å; T62-Y65 PolarHBondContact O-N 2.94Å; Y65-I67 VanDerWaalsContact C-N 3.34Å; Y65-S68 WeakPolarHBondContact O-CB 3.41Å; Y65-S68 PolarHBondContact O-N 2.97Å; Y65-L69 WeakPolarHBondContact O-CB 3.34Å; Y65-L69 PolarHBondContact O-N 3.31Å; Y65-A122 HydrophobicContact CD1-CB 3.73Å; Y65-A122 HydrophobicContact CE1-CB 3.47Å; Y65-A122 VanDerWaalsContact CE1-CB 3.47Å; Y65-F123 HydrophobicContact CG-CB 4.41Å; Y65-E126 HydrophobicContact CD2-CB 4.13Å; Y65-E126 HydrophobicContact CD2-CG 4.18Å; Y65-E126 HydrophobicContact CE2-CB 3.69Å; Y65-E126 HydrophobicContact CE2-CG 3.76Å; Y65-A146 HydrophobicContact CE1-CB 4.45Å; Y65-A146 HydrophobicContact CE2-CB 3.86Å; Y65-I149 HydrophobicContact CE1-CB 4.21Å; Y65-I149 HydrophobicContact CE1-CG2 3.86Å; Y65-I149 VanDerWaalsContact OH-CD1 3.25Å; Y65-I149 WeakPolarHBondContact OH-CD1 3.3Å; Y65-I150 HydrophobicContact CD1-CD1 3.87Å; Y65-I150 HydrophobicContact CD1-CG1 3.61Å; Y65-I150 HydrophobicContact CE1-CD1 4.23Å; Y65-I150 HydrophobicContact CE1-CG1 3.79Å; Y65-I150 HydrophobicContact CG-CD1 4.45Å
66L94.9Very high95.4Very high16 Ų1631.5 Ų31.58%0.08417%0.172CC..Hα-helixtrans-65.3-37.1173.7-66.9-177.7000112.4L52 T62 N63 C64 L69 S70 F123 Y333L52-L66 HydrophobicContact CD1-CB 3.62Å; L52-L66 HydrophobicContact CD1-CD1 4.23Å; T62-L66 PolarHBondContact O-N 3.03Å; T62-L66 VanDerWaalsContact O-N 3.12Å; N63-L66 PolarHBondContact O-N 3.43Å; C64-L66 VanDerWaalsContact C-N 3.33Å; C64-L66 PolarHBondContact O-N 3.29Å; L66-L69 PolarHBondContact O-N 3.48Å; L66-S70 WeakPolarHBondContact O-CB 3.32Å; L66-S70 PolarHBondContact O-N 3.04Å; L66-S70 PolarHBondContact O-OG 2.88Å; L66-F123 HydrophobicContact CD1-CE2 4.32Å; L66-F123 HydrophobicContact CD2-CD2 3.81Å; L66-F123 HydrophobicContact CD2-CE2 3.59Å; L66-F123 HydrophobicContact CD2-CZ 4.38Å; L66-F123 HydrophobicContact CG-CD2 4.1Å; L66-F123 HydrophobicContact CG-CE2 3.86Å; L66-Y333 HydrophobicContact CD2-CE1 3.77Å; L66-Y333 HydrophobicContact CD2-CE2 4.35Å; L66-Y333 WeakPolarHBondContact CD2-OH 3.28Å
67I96.8Very high95.9Very high41 Ų4127.3 Ų27.321%0.2114%0.142CC..Hα-helixtrans-63.6-46.3172.8-69162000110.2M49 L52 T53 N63 C64 Y65 L69 S70 A71M49-I67 HydrophobicContact CE-CG2 4.29Å; M49-I67 HydrophobicContact CG-CG2 4.38Å; L52-I67 HydrophobicContact CB-CD1 3.81Å; L52-I67 HydrophobicContact CB-CG1 3.73Å; L52-I67 HydrophobicContact CD1-CG1 4.02Å; T53-I67 HydrophobicContact CG2-CD1 3.77Å; T53-I67 HydrophobicContact CG2-CG1 4.42Å; N63-I67 VanDerWaalsContact O-CG1 3.29Å; N63-I67 WeakPolarHBondContact O-CG1 3.07Å; N63-I67 PolarHBondContact O-N 2.92Å; C64-I67 PolarHBondContact O-N 3.48Å; Y65-I67 VanDerWaalsContact C-N 3.34Å; I67-L69 VanDerWaalsContact C-N 3.33Å; I67-L69 PolarHBondContact O-N 2.95Å; I67-S70 PolarHBondContact O-N 2.83Å; I67-A71 WeakPolarHBondContact O-CB 3.45Å; I67-A71 PolarHBondContact O-N 3.42Å
68S98.1Very high96.2Very high5 Ų524.5 Ų24.54%0.03513%0.133CC..Hα-helixtrans-57.6-46.6175.8-1740000111.6C64 Y65 A71 S72 S119 W154C64-S68 PolarHBondContact O-N 3.16Å; Y65-S68 WeakPolarHBondContact O-CB 3.41Å; Y65-S68 PolarHBondContact O-N 2.97Å; S68-A71 WeakPolarHBondContact O-CB 3.2Å; S68-A71 PolarHBondContact O-N 3.41Å; S68-S72 PolarHBondContact O-N 3.37Å; S68-S72 PolarHBondContact O-OG 3.2Å; S68-S119 PolarHBondContact OG-OG 3.48Å; S68-S119 VanDerWaalsContact OG-OG 3.07Å; S68-W154 PolarHBondContact OG-NE1 2.85Å
69L97.1Very high96.5Very high3 Ų324.4 Ų24.42%0.01613%0.133CC..Hα-helixtrans-60.1-46.9177.5179.957.2000112Y65 L66 I67 A71 S72 D73 S116 I120 Y333Y65-L69 WeakPolarHBondContact O-CB 3.34Å; Y65-L69 PolarHBondContact O-N 3.31Å; L66-L69 PolarHBondContact O-N 3.48Å; I67-L69 VanDerWaalsContact C-N 3.33Å; I67-L69 PolarHBondContact O-N 2.95Å; L69-A71 VanDerWaalsContact C-N 3.31Å; L69-A71 PolarHBondContact O-N 3.46Å; L69-S72 WeakPolarHBondContact CA-OG 3.28Å; L69-S72 PolarHBondContact O-N 2.9Å; L69-S72 PolarHBondContact O-OG 3.11Å; L69-D73 WeakPolarHBondContact O-CB 3.08Å; L69-D73 VanDerWaalsContact O-CG 3.29Å; L69-D73 PolarHBondContact O-N 3.18Å; L69-S116 WeakPolarHBondContact CD1-OG 3.2Å; L69-I120 HydrophobicContact CD1-CD1 4.23Å; L69-I120 HydrophobicContact CD1-CG1 3.9Å; L69-I120 HydrophobicContact CD2-CG1 4.02Å; L69-Y333 VanDerWaalsContact CD2-OH 3.28Å; L69-Y333 WeakPolarHBondContact CD2-OH 3.47Å
70S97.6Very high96.7Very high0 Ų019.9 Ų19.90%011%0.113CC..Hα-helixtrans-64.8-33.6176.1-75.10000113N45 V48 L66 I67 D73 L74N45-S70 WeakPolarHBondContact OD1-CA 3.07Å; N45-S70 WeakPolarHBondContact OD1-CB 3.31Å; N45-S70 PolarHBondContact OD1-OG 2.96Å; V48-S70 VanDerWaalsContact CG1-OG 3.28Å; V48-S70 WeakPolarHBondContact CG1-OG 3.3Å; L66-S70 WeakPolarHBondContact O-CB 3.32Å; L66-S70 PolarHBondContact O-N 3.04Å; L66-S70 PolarHBondContact O-OG 2.88Å; I67-S70 PolarHBondContact O-N 2.83Å; S70-D73 PolarHBondContact O-N 2.85Å; S70-L74 WeakPolarHBondContact O-CB 3.35Å; S70-L74 VanDerWaalsContact O-CG 3.32Å; S70-L74 WeakPolarHBondContact O-CG 3.11Å; S70-L74 PolarHBondContact O-N 3.02Å
71A98.4Very high96.9Very high29 Ų2917.5 Ų17.524%0.2410%0.098CC..Hα-helixtrans-67.4-43.2174.500000111.8M49 I67 S68 L69 L74 L75 W154M49-A71 HydrophobicContact CE-CB 4.26Å; M49-A71 HydrophobicContact SD-CB 4.19Å; I67-A71 WeakPolarHBondContact O-CB 3.45Å; I67-A71 PolarHBondContact O-N 3.42Å; S68-A71 WeakPolarHBondContact O-CB 3.2Å; S68-A71 PolarHBondContact O-N 3.41Å; L69-A71 VanDerWaalsContact C-N 3.31Å; L69-A71 PolarHBondContact O-N 3.46Å; A71-L74 PolarHBondContact O-N 2.68Å; A71-L75 PolarHBondContact O-N 3.27Å; A71-W154 HydrophobicContact CB-CZ2 4.17Å
72S98.4Very high97Very high0 Ų018.5 Ų18.50%010%0.104CC..Hα-helixtrans-64.6-40.8173.347.90000112.3S68 L69 L74 L75 V76 S112 S116S68-S72 PolarHBondContact O-N 3.37Å; S68-S72 PolarHBondContact O-OG 3.2Å; L69-S72 WeakPolarHBondContact CA-OG 3.28Å; L69-S72 PolarHBondContact O-N 2.9Å; L69-S72 PolarHBondContact O-OG 3.11Å; S72-L74 PolarHBondContact O-N 2.9Å; S72-L75 WeakPolarHBondContact O-CB 3.09Å; S72-L75 PolarHBondContact O-N 2.66Å; S72-L75 VanDerWaalsContact O-N 3.12Å; S72-V76 WeakPolarHBondContact O-CG2 3.27Å; S72-V76 PolarHBondContact O-N 2.93Å; S72-S112 WeakPolarHBondContact CB-O 3.29Å; S72-S116 WeakPolarHBondContact OG-CA 3.48Å
73D98Very high97.1Very high0 Ų019.7 Ų19.70%011%0.11CC..Hα-helixtrans-64.6-40.3177.7-75.5-22.7000111.7L69 S70 L75 V76 L77 S116 S326 N329L69-D73 WeakPolarHBondContact O-CB 3.08Å; L69-D73 VanDerWaalsContact O-CG 3.29Å; L69-D73 PolarHBondContact O-N 3.18Å; S70-D73 PolarHBondContact O-N 2.85Å; D73-L75 VanDerWaalsContact C-N 3.3Å; D73-L75 PolarHBondContact O-N 3.3Å; D73-V76 PolarHBondContact O-N 3.03Å; D73-L77 WeakPolarHBondContact O-CG 3.37Å; D73-L77 PolarHBondContact O-N 3.32Å; D73-S116 PolarHBondContact OD1-OG 3.19Å; D73-S326 WeakPolarHBondContact OD1-CA 3.47Å; D73-S326 WeakPolarHBondContact OD1-CB 3.33Å; D73-S326 PolarHBondContact OD1-OG 2.94Å; D73-N329 PolarHBondContact OD2-ND2 2.84Å
74L98.2Very high97.2Very high30 Ų3018.6 Ų18.616%0.15710%0.104CC..Hα-helixtrans-60.1-41.8171.3-76.8172.2000111.6V42 N45 I46 M49 S70 A71 S72 L77 M78V42-L74 HydrophobicContact CB-CD2 4.33Å; V42-L74 HydrophobicContact CG1-CD2 4.26Å; V42-L74 HydrophobicContact CG2-CD2 4.38Å; N45-L74 HydrophobicContact CB-CD1 4.24Å; N45-L74 HydrophobicContact CB-CD2 3.84Å; N45-L74 HydrophobicContact CB-CG 3.67Å; I46-L74 HydrophobicContact CG1-CD1 3.93Å; I46-L74 HydrophobicContact CG1-CD2 4.01Å; M49-L74 HydrophobicContact SD-CD1 3.67Å; S70-L74 WeakPolarHBondContact O-CB 3.35Å; S70-L74 VanDerWaalsContact O-CG 3.32Å; S70-L74 WeakPolarHBondContact O-CG 3.11Å; S70-L74 PolarHBondContact O-N 3.02Å; A71-L74 PolarHBondContact O-N 2.68Å; S72-L74 PolarHBondContact O-N 2.9Å; L74-L77 PolarHBondContact O-N 2.98Å; L74-M78 WeakPolarHBondContact O-CB 3.28Å; L74-M78 VanDerWaalsContact O-CG 3.24Å; L74-M78 WeakPolarHBondContact O-CG 3.33Å; L74-M78 PolarHBondContact O-N 3.32Å
75L98.1Very high97.1Very high42 Ų4218.8 Ų18.822%0.2211%0.105CC..Hα-helixtrans-64.9-41.9178.4-169.761.6000111.4A71 S72 D73 L77 M78 T79 L108 L111 W154A71-L75 PolarHBondContact O-N 3.27Å; S72-L75 WeakPolarHBondContact O-CB 3.09Å; S72-L75 PolarHBondContact O-N 2.66Å; S72-L75 VanDerWaalsContact O-N 3.12Å; D73-L75 VanDerWaalsContact C-N 3.3Å; D73-L75 PolarHBondContact O-N 3.3Å; L75-L77 PolarHBondContact O-N 3.45Å; L75-M78 PolarHBondContact O-N 3.44Å; L75-T79 HydrophobicContact CD1-CG2 3.63Å; L75-T79 HydrophobicContact CG-CG2 4.25Å; L75-T79 VanDerWaalsContact O-CB 3.32Å; L75-T79 WeakPolarHBondContact O-CB 3.38Å; L75-T79 WeakPolarHBondContact O-CG2 3.39Å; L75-T79 PolarHBondContact O-N 3.12Å; L75-T79 PolarHBondContact O-OG1 3.42Å; L75-L108 HydrophobicContact CD2-CD2 4.3Å; L75-L111 HydrophobicContact CD2-CD2 3.97Å; L75-W154 HydrophobicContact CD2-CZ3 4.38Å
76V98.1Very high97Very high1 Ų122 Ų221%0.00612%0.12CC..Hα-helixtrans-56.9-49.6172.5172.50000110.5S72 D73 S80 T81 S112 V113 F323S72-V76 WeakPolarHBondContact O-CG2 3.27Å; S72-V76 PolarHBondContact O-N 2.93Å; D73-V76 PolarHBondContact O-N 3.03Å; V76-S80 WeakPolarHBondContact O-CA 3.42Å; V76-S80 WeakPolarHBondContact O-CB 3.42Å; V76-S80 PolarHBondContact O-N 3.48Å; V76-S80 PolarHBondContact O-OG 3.47Å; V76-T81 PolarHBondContact O-N 3.29Å; V76-S112 VanDerWaalsContact CG2-OG 3.23Å; V76-S112 WeakPolarHBondContact CG2-OG 3.41Å; V76-V113 HydrophobicContact CG2-CG2 3.96Å; V76-F323 HydrophobicContact CG1-CD1 4.04Å; V76-F323 HydrophobicContact CG1-CE1 4.43Å
77L98.4Very high97Very high0 Ų022.6 Ų22.60%012%0.122CC..Iπ-helixtrans-63.4-45.7-177.3-68.8168.4000111.9I37 L38 V42 D73 L74 L75 T81 T82I37-L77 HydrophobicContact CG2-CD2 3.97Å; L38-L77 HydrophobicContact CD1-CB 4.07Å; V42-L77 HydrophobicContact CG2-CB 4.12Å; V42-L77 HydrophobicContact CG2-CD1 4.17Å; D73-L77 WeakPolarHBondContact O-CG 3.37Å; D73-L77 PolarHBondContact O-N 3.32Å; L74-L77 PolarHBondContact O-N 2.98Å; L75-L77 PolarHBondContact O-N 3.45Å; L77-T81 VanDerWaalsContact O-CB 3.3Å; L77-T81 WeakPolarHBondContact O-CB 3.36Å; L77-T81 PolarHBondContact O-N 2.97Å; L77-T82 PolarHBondContact O-N 3.38Å; L77-T82 VanDerWaalsContact O-N 3.11Å; L77-T82 PolarHBondContact O-OG1 3.35Å
78M96.9Very high96.9Very high108 Ų10820.7 Ų20.753%0.53211%0.112SC..Iπ-helixtrans-71.6-37.5-177.9-66.8-54.4-64.400112.8V42 L74 L75 T82V42-M78 HydrophobicContact CG2-SD 4.09Å; L74-M78 WeakPolarHBondContact O-CB 3.28Å; L74-M78 VanDerWaalsContact O-CG 3.24Å; L74-M78 WeakPolarHBondContact O-CG 3.33Å; L74-M78 PolarHBondContact O-N 3.32Å; L75-M78 PolarHBondContact O-N 3.44Å; M78-T82 WeakPolarHBondContact O-CB 3.3Å; M78-T82 PolarHBondContact O-OG1 2.99Å
79T96.1Very high96.7Very high18 Ų1827 Ų2711%0.1114%0.136CC..Iπ-helixtrans-96-24.7-174.264.10000113.9L75 L83 L108L75-T79 HydrophobicContact CD1-CG2 3.63Å; L75-T79 HydrophobicContact CG-CG2 4.25Å; L75-T79 VanDerWaalsContact O-CB 3.32Å; L75-T79 WeakPolarHBondContact O-CB 3.38Å; L75-T79 WeakPolarHBondContact O-CG2 3.39Å; L75-T79 PolarHBondContact O-N 3.12Å; L75-T79 PolarHBondContact O-OG1 3.42Å; T79-L83 WeakPolarHBondContact O-CD1 3.26Å; T79-L83 VanDerWaalsContact O-CG 3.28Å; T79-L83 WeakPolarHBondContact O-CG 3.48Å; T79-L108 HydrophobicContact CG2-CB 3.99Å; T79-L108 HydrophobicContact CG2-CD1 4Å
80S96.8Very high96.4Very high4 Ų429.1 Ų29.13%0.02815%0.146CC..Iπ-helixtrans-107.7-55.5-177.2-31.30000111.3V76 L83 M84 Q109V76-S80 WeakPolarHBondContact O-CA 3.42Å; V76-S80 WeakPolarHBondContact O-CB 3.42Å; V76-S80 PolarHBondContact O-N 3.48Å; V76-S80 PolarHBondContact O-OG 3.47Å; S80-L83 PolarHBondContact O-N 2.98Å; S80-M84 PolarHBondContact O-N 2.9Å; S80-Q109 WeakPolarHBondContact OG-CG 3.27Å
81T97.7Very high96Very high0 Ų030.1 Ų30.10%015%0.153CC..Iπ-helixtrans-68.5-44.8-173-520000111.2L34 L38 V76 L77 L83 M84 V85 F323L34-T81 HydrophobicContact CB-CG2 4.11Å; L34-T81 HydrophobicContact CD2-CG2 4.26Å; L38-T81 HydrophobicContact CB-CG2 4.16Å; L38-T81 HydrophobicContact CD1-CG2 4.32Å; V76-T81 PolarHBondContact O-N 3.29Å; L77-T81 VanDerWaalsContact O-CB 3.3Å; L77-T81 WeakPolarHBondContact O-CB 3.36Å; L77-T81 PolarHBondContact O-N 2.97Å; T81-L83 PolarHBondContact O-N 2.84Å; T81-M84 PolarHBondContact O-N 2.62Å; T81-V85 WeakPolarHBondContact O-CG2 3.33Å; T81-V85 PolarHBondContact O-N 3.37Å; T81-F323 HydrophobicContact CG2-CD2 4.27Å; T81-F323 WeakPolarHBondContact OG1-CG 3.45Å
82T96.7Very high95.5Very high36 Ų3631.6 Ų31.622%0.22115%0.153CC..Hα-helixtrans-58.6-44.8175.6-55.60000112L77 M78 M84 V85 Q86L77-T82 PolarHBondContact O-N 3.38Å; L77-T82 VanDerWaalsContact O-N 3.11Å; L77-T82 PolarHBondContact O-OG1 3.35Å; M78-T82 WeakPolarHBondContact O-CB 3.3Å; M78-T82 PolarHBondContact O-OG1 2.99Å; T82-M84 VanDerWaalsContact C-N 3.33Å; T82-M84 PolarHBondContact O-N 2.99Å; T82-V85 PolarHBondContact O-N 3.28Å; T82-Q86 WeakPolarHBondContact O-CG 3.49Å; T82-Q86 PolarHBondContact O-N 3.49Å; T82-Q86 VanDerWaalsContact O-N 3.14Å
83L95.6Very high95Very high33 Ų3334.9 Ų34.917%0.17317%0.17CC..Hα-helixtrans-65.1-37.4178-68.8-173.5000111.8T79 S80 T81 Q86 E87 W95 L97T79-L83 WeakPolarHBondContact O-CD1 3.26Å; T79-L83 VanDerWaalsContact O-CG 3.28Å; T79-L83 WeakPolarHBondContact O-CG 3.48Å; S80-L83 PolarHBondContact O-N 2.98Å; T81-L83 PolarHBondContact O-N 2.84Å; L83-Q86 PolarHBondContact O-N 3.39Å; L83-E87 PolarHBondContact O-N 3.19Å; L83-W95 HydrophobicContact CD1-CH2 3.84Å; L83-W95 HydrophobicContact CD1-CZ3 4.04Å; L83-W95 HydrophobicContact CD2-CH2 4.37Å; L83-W95 HydrophobicContact CD2-CZ3 4.49Å; L83-L97 HydrophobicContact CD2-CD1 3.82Å
84M95.3Very high94.7Very high0 Ų037.3 Ų37.30%018%0.182CC..Hα-helixtrans-66.2-38.9176.2-170.7170.3-177.500112.7L34 S80 T81 T82 Q86 E87 F88 M316 R319 F323L34-M84 HydrophobicContact CD1-CB 3.79Å; L34-M84 HydrophobicContact CD1-CE 4.27Å; L34-M84 HydrophobicContact CD1-CG 3.45Å; L34-M84 VanDerWaalsContact CD1-CG 3.45Å; L34-M84 HydrophobicContact CD1-SD 3.56Å; L34-M84 VanDerWaalsContact CD1-SD 3.56Å; S80-M84 PolarHBondContact O-N 2.9Å; T81-M84 PolarHBondContact O-N 2.62Å; T82-M84 VanDerWaalsContact C-N 3.33Å; T82-M84 PolarHBondContact O-N 2.99Å; M84-Q86 VanDerWaalsContact C-N 3.3Å; M84-Q86 PolarHBondContact O-N 2.9Å; M84-E87 VanDerWaalsContact O-CB 3.26Å; M84-E87 WeakPolarHBondContact O-CB 3.45Å; M84-E87 PolarHBondContact O-N 3.18Å; M84-F88 HydrophobicContact CE-CE1 4.07Å; M84-F88 HydrophobicContact CE-CZ 3.72Å; M84-F88 HydrophobicContact CG-CE1 4.34Å; M84-F88 HydrophobicContact CG-CE2 4.43Å; M84-F88 HydrophobicContact CG-CZ 3.93Å; M84-F88 HydrophobicContact SD-CZ 4.49Å; M84-M316 HydrophobicContact CE-CG 4.25Å; M84-R319 HydrophobicContact CE-CB 3.81Å; M84-R319 HydrophobicContact CE-CG 4.29Å; M84-R319 HydrophobicContact SD-CB 3.65Å; M84-R319 HydrophobicContact SD-CG 4.22Å; M84-R319 PolarHBondContact SD-NE 3.48Å; M84-F323 HydrophobicContact CB-CE2 4.15Å; M84-F323 HydrophobicContact CG-CE2 4.49Å; M84-F323 HydrophobicContact SD-CD2 4.32Å; M84-F323 HydrophobicContact SD-CE2 3.51Å; M84-F323 VanDerWaalsContact SD-CE2 3.51Å; M84-F323 HydrophobicContact SD-CZ 4.36Å
85V96.3Very high94.6Very high26 Ų2637.5 Ų37.516%0.15818%0.18CC..Hα-helixtrans-61.9-42.1174.4173.60000110.5L34 T81 T82 E87 F88 Y89L34-V85 HydrophobicContact CB-CG2 3.56Å; L34-V85 HydrophobicContact CD1-CG2 4.08Å; T81-V85 WeakPolarHBondContact O-CG2 3.33Å; T81-V85 PolarHBondContact O-N 3.37Å; T82-V85 PolarHBondContact O-N 3.28Å; V85-E87 VanDerWaalsContact C-N 3.32Å; V85-E87 PolarHBondContact O-N 2.81Å; V85-F88 PolarHBondContact O-N 3.4Å; V85-Y89 VanDerWaalsContact O-CD2 3.32Å; V85-Y89 WeakPolarHBondContact O-CD2 3.39Å
86Q94.2Very high94.3Very high69 Ų6942.8 Ų42.832%0.32220%0.197SC..Hα-helixtrans-63.8-36.7177.1-69178.7-3.200112.6T82 L83 M84 F88 Y89T82-Q86 WeakPolarHBondContact O-CG 3.49Å; T82-Q86 PolarHBondContact O-N 3.49Å; T82-Q86 VanDerWaalsContact O-N 3.14Å; L83-Q86 PolarHBondContact O-N 3.39Å; M84-Q86 VanDerWaalsContact C-N 3.3Å; M84-Q86 PolarHBondContact O-N 2.9Å; Q86-F88 PolarHBondContact O-N 3.09Å; Q86-Y89 PolarHBondContact O-N 2.87Å; Q86-Y89 VanDerWaalsContact O-N 3.17Å
87E93.9Very high94.2Very high30 Ų3046.8 Ų46.814%0.1422%0.218CC..Hα-helixtrans-55-36.8178.5-161.8-168.5137.400112.4Y22 L83 M84 V85 Y89 Q90 R319Y22-E87 HydrophobicContact CE2-CG 4.18Å; Y22-E87 WeakPolarHBondContact CE2-O 3.35Å; Y22-E87 PolarHBondContact OH-OE1 2.56Å; L83-E87 PolarHBondContact O-N 3.19Å; M84-E87 VanDerWaalsContact O-CB 3.26Å; M84-E87 WeakPolarHBondContact O-CB 3.45Å; M84-E87 PolarHBondContact O-N 3.18Å; V85-E87 VanDerWaalsContact C-N 3.32Å; V85-E87 PolarHBondContact O-N 2.81Å; E87-Y89 PolarHBondContact O-N 2.77Å; E87-Q90 PolarHBondContact O-N 2.79Å; E87-R319 IonicContact OE1-NH1 3.57Å; E87-R319 IonicContact OE2-CZ 3.2Å; E87-R319 IonicContact OE2-NH1 2.9Å; E87-R319 PolarHBondContact OE2-NH1 2.86Å; E87-R319 IonicContact OE2-NH2 2.79Å; E87-R319 PolarHBondContact OE2-NH2 3.4Å
88F94.3Very high94.1Very high0 Ų048 Ų480%023%0.231CC..THydrogen-bonded Turntrans-67.4-20.1-177.8-60-35.9000114.4Y22 Y26 K27 L34 M84 V85 Q86 M316Y22-F88 HydrophobicContact CD2-CD1 4.35Å; Y22-F88 HydrophobicContact CE2-CD1 4.41Å; Y26-F88 HydrophobicContact CD1-CD1 4.26Å; Y26-F88 HydrophobicContact CD1-CE1 4.23Å; Y26-F88 AromaticContact CE1-CD1 3.77Å; Y26-F88 HydrophobicContact CE1-CD1 3.77Å; Y26-F88 AromaticContact CE1-CE1 3.46Å; Y26-F88 HydrophobicContact CE1-CE1 3.46Å; Y26-F88 VanDerWaalsContact CE1-CE1 3.46Å; Y26-F88 HydrophobicContact CE1-CZ 4.46Å; K27-F88 WeakPolarHBondContact CD-O 3.23Å; K27-F88 WeakPolarHBondContact CE-O 3.29Å; K27-F88 HydrophobicContact CG-CB 4.34Å; K27-F88 WeakPolarHBondContact CG-O 3.24Å; L34-F88 HydrophobicContact CD1-CE2 3.63Å; L34-F88 HydrophobicContact CD1-CZ 3.9Å; L34-F88 HydrophobicContact CG-CE2 4.42Å; M84-F88 HydrophobicContact CE-CE1 4.07Å; M84-F88 HydrophobicContact CE-CZ 3.72Å; M84-F88 HydrophobicContact CG-CE1 4.34Å; M84-F88 HydrophobicContact CG-CE2 4.43Å; M84-F88 HydrophobicContact CG-CZ 3.93Å; M84-F88 HydrophobicContact SD-CZ 4.49Å; V85-F88 PolarHBondContact O-N 3.4Å; Q86-F88 PolarHBondContact O-N 3.09Å; F88-M316 HydrophobicContact CZ-SD 4.42Å
89Y93.7Very high94.1Very high137 Ų13745.5 Ų45.554%0.53722%0.22SC..THydrogen-bonded Turntrans-103.513.7-178.1-63.2-83.7000112.9T31 V85 Q86 E87T31-Y89 HydrophobicContact CG2-CE2 4.35Å; T31-Y89 VanDerWaalsContact CG2-OH 3.23Å; T31-Y89 WeakPolarHBondContact CG2-OH 3.41Å; T31-Y89 WeakPolarHBondContact OG1-CE2 3.35Å; T31-Y89 PolarHBondContact OG1-OH 3.33Å; V85-Y89 VanDerWaalsContact O-CD2 3.32Å; V85-Y89 WeakPolarHBondContact O-CD2 3.39Å; Q86-Y89 PolarHBondContact O-N 2.87Å; Q86-Y89 VanDerWaalsContact O-N 3.17Å; E87-Y89 PolarHBondContact O-N 2.77Å
90Q91.5Very high94.2Very high48 Ų4851.8 Ų51.822%0.22425%0.246CC..SBendtrans-125.8165.7178.4-60.5-66.8-3400109.3E87 H94E87-Q90 PolarHBondContact O-N 2.79Å; Q90-H94 HydrophobicContact CB-CB 4.07Å
91P89.6Confident94.2Very high22 Ų2252.8 Ų52.814%0.14325%0.254CS..BIsolated β-bridgetrans-54.3152.5165.2-22.433.3000111.8L19 L21 N93 H94L19-P91 HydrophobicContact CD1-CB 3.48Å; L19-P91 VanDerWaalsContact CD1-CB 3.48Å; L19-P91 HydrophobicContact CD1-CG 3.67Å; L19-P91 HydrophobicContact CD2-CG 4.16Å; L19-P91 HydrophobicContact CG-CB 3.94Å; L19-P91 HydrophobicContact CG-CG 4.08Å; L21-P91 HydrophobicContact CD2-CG 4.37Å; P91-N93 PolarHBondContact O-N 3.45Å; P91-H94 HydrophobicContact CB-CB 4.04Å; P91-H94 HydrophobicContact CG-CB 4.36Å; P91-H94 WeakPolarHBondContact O-CB 3.48Å; P91-H94 PolarHBondContact O-N 2.96Å
92Y88.3Confident94.2Very high59 Ų5952.8 Ų52.823%0.23125%0.254CS..THydrogen-bonded Turntrans-52.2128.3-177.8-174.1-96.8000111.6I20 Y22 H94 L312 R315I20-Y92 VanDerWaalsContact O-CB 3.3Å; I20-Y92 WeakPolarHBondContact O-CB 3.34Å; I20-Y92 PolarHBondContact O-N 3.24Å; Y22-Y92 HydrophobicContact CD1-CD2 4.43Å; Y22-Y92 AromaticContact CE1-CD2 3.57Å; Y22-Y92 HydrophobicContact CE1-CD2 3.57Å; Y22-Y92 AromaticContact CE1-CE2 3.82Å; Y22-Y92 HydrophobicContact CE1-CE2 3.82Å; Y22-Y92 HydrophobicContact CE2-CD2 4.29Å; Y22-Y92 AromaticContact CZ-CD2 3.49Å; Y22-Y92 VanDerWaalsContact CZ-CD2 3.49Å; Y22-Y92 AromaticContact CZ-CE2 3.91Å; Y22-Y92 WeakPolarHBondContact OH-CD2 3.23Å; Y22-Y92 WeakPolarHBondContact OH-CE2 3.26Å; Y92-H94 PolarHBondContact O-N 2.94Å; Y92-H94 VanDerWaalsContact O-N 3.07Å; Y92-L312 HydrophobicContact CE2-CD2 3.68Å; Y92-R315 PolarHBondContact OH-NH1 2.92Å; Y92-R315 PolarHBondContact OH-NH2 2.92Å
93N86.7Confident94.3Very high70 Ų7052.8 Ų52.837%0.37425%0.252SS..THydrogen-bonded Turntrans57.410.8-176-63-20.6000116.3P91 W95 T182P91-N93 PolarHBondContact O-N 3.45Å; N93-W95 PolarHBondContact O-N 2.9Å; N93-T182 HydrophobicContact CB-CG2 4.13Å; N93-T182 WeakPolarHBondContact O-CA 3.28Å; N93-T182 WeakPolarHBondContact O-CG2 3.21Å
94H93Very high94.4Very high51 Ų5154.4 Ų54.424%0.23626%0.26CS..BIsolated β-bridgetrans-65.5129.9179.9-17485.5000111.5Q90 P91 Y92 F180Q90-H94 HydrophobicContact CB-CB 4.07Å; P91-H94 HydrophobicContact CB-CB 4.04Å; P91-H94 HydrophobicContact CG-CB 4.36Å; P91-H94 WeakPolarHBondContact O-CB 3.48Å; P91-H94 PolarHBondContact O-N 2.96Å; Y92-H94 PolarHBondContact O-N 2.94Å; Y92-H94 VanDerWaalsContact O-N 3.07Å; H94-F180 VanDerWaalsContact CE1-CB 3.45Å; H94-F180 WeakPolarHBondContact CE1-CB 3.28Å; H94-F180 WeakPolarHBondContact ND1-CB 3.24Å; H94-F180 AromaticContact ND1-CD2 3.73Å; H94-F180 AromaticContact ND1-CG 3.78Å
95W95Very high94.5Very high33 Ų3355 Ų5513%0.12527%0.265CS..  trans-124.8119.8-178.2-176.7-94000111.3L83 N93 L97 G98 A101 C102 S105 T170 E181 C183L83-W95 HydrophobicContact CD1-CH2 3.84Å; L83-W95 HydrophobicContact CD1-CZ3 4.04Å; L83-W95 HydrophobicContact CD2-CH2 4.37Å; L83-W95 HydrophobicContact CD2-CZ3 4.49Å; N93-W95 PolarHBondContact O-N 2.9Å; W95-L97 HydrophobicContact CH2-CD1 3.96Å; W95-L97 HydrophobicContact CZ2-CB 3.71Å; W95-L97 HydrophobicContact CZ2-CD1 3.96Å; W95-L97 HydrophobicContact CZ2-CG 4.27Å; W95-G98 PolarHBondContact NE1-O 2.97Å; W95-A101 VanDerWaalsContact CZ2-C 3.5Å; W95-A101 HydrophobicContact CZ2-CB 3.9Å; W95-C102 VanDerWaalsContact CZ2-CA 3.44Å; W95-C102 HydrophobicContact CZ2-CB 4.01Å; W95-C102 VanDerWaalsContact CZ2-N 3.29Å; W95-S105 WeakPolarHBondContact CH2-OG 3.34Å; W95-T170 VanDerWaalsContact CD1-CG2 3.48Å; W95-T170 HydrophobicContact CG-CG2 4.31Å; W95-E181 PolarHBondContact N-O 3.08Å; W95-C183 HydrophobicContact CB-CB 3.93Å; W95-C183 HydrophobicContact CD2-CB 3.53Å; W95-C183 HydrophobicContact CE3-CB 3.72Å; W95-C183 HydrophobicContact CG-CB 3.62Å; W95-C183 HydrophobicContact CZ3-CB 4.43Å
96R93Very high94.5Very high153 Ų15354.6 Ų54.658%0.57726%0.262SS*.  trans-111.3-6.3-174.167.2-179.7-178.8169.61.9115.5G98R96-G98 VanDerWaalsContact C-N 3.31Å; R96-G98 PolarHBondContact O-N 3.2Å
97L94.9Very high94.7Very high85 Ų8551.6 Ų51.645%0.44525%0.249SC..SBendtrans-892.7-172.3-58.4174.4000113.1L83 W95 A101L83-L97 HydrophobicContact CD2-CD1 3.82Å; W95-L97 HydrophobicContact CH2-CD1 3.96Å; W95-L97 HydrophobicContact CZ2-CB 3.71Å; W95-L97 HydrophobicContact CZ2-CD1 3.96Å; W95-L97 HydrophobicContact CZ2-CG 4.27Å; L97-A101 HydrophobicContact CB-CB 3.52Å; L97-A101 VanDerWaalsContact O-CB 3.23Å; L97-A101 WeakPolarHBondContact O-CB 3.08Å
98G96.3Very high94.9Very high27 Ų2752.2 Ų52.228%0.27825%0.253SS..Hα-helixtrans77.7172.4-179.700000114.5W95 R96 F100 A101 C102W95-G98 PolarHBondContact NE1-O 2.97Å; R96-G98 VanDerWaalsContact C-N 3.31Å; R96-G98 PolarHBondContact O-N 3.2Å; G98-F100 PolarHBondContact O-N 2.99Å; G98-A101 PolarHBondContact O-N 3.21Å; G98-C102 PolarHBondContact O-N 3.3Å; G98-C102 VanDerWaalsContact O-N 3.14Å
99N97.7Very high95.1Very high54 Ų5454.7 Ų54.729%0.28926%0.264SS..Hα-helixtrans-63.1-43.3-171.7-174.569.1000113.5A101 C102 Q103 T169 T170N99-A101 PolarHBondContact O-N 2.79Å; N99-C102 WeakPolarHBondContact O-CB 3.21Å; N99-C102 PolarHBondContact O-N 3.33Å; N99-Q103 VanDerWaalsContact ND2-CD 3.32Å; N99-Q103 PolarHBondContact ND2-NE2 2.96Å; N99-Q103 VanDerWaalsContact ND2-NE2 3.15Å; N99-Q103 PolarHBondContact ND2-OE1 2.86Å; N99-Q103 WeakPolarHBondContact O-CG 3.34Å; N99-Q103 PolarHBondContact O-N 3.3Å; N99-T169 VanDerWaalsContact OD1-CA 3.27Å; N99-T169 WeakPolarHBondContact OD1-CA 3.11Å; N99-T169 PolarHBondContact OD1-OG1 3.33Å; N99-T169 VanDerWaalsContact OD1-OG1 3.12Å; N99-T170 HydrophobicContact CB-CG2 4.42Å; N99-T170 PolarHBondContact OD1-N 3.36Å
100F97.6Very high95.3Very high150 Ų15049.5 Ų49.566%0.65824%0.244SC*.Hα-helixtrans-60-44.5179.3175.5-102.7000112.2G98 C102 Q103 L104G98-F100 PolarHBondContact O-N 2.99Å; F100-C102 VanDerWaalsContact C-N 3.34Å; F100-C102 PolarHBondContact O-N 2.99Å; F100-Q103 PolarHBondContact O-N 3.23Å; F100-L104 HydrophobicContact CE1-CD2 3.87Å; F100-L104 HydrophobicContact CZ-CD2 4.04Å; F100-L104 VanDerWaalsContact O-CB 3.31Å; F100-L104 WeakPolarHBondContact O-CB 3.43Å; F100-L104 PolarHBondContact O-N 3.28Å
101A97.1Very high95.6Very high25 Ų2547.6 Ų47.621%0.20724%0.235CC..Hα-helixtrans-67.5-34.917800000112W95 L97 G98 N99 S105W95-A101 VanDerWaalsContact CZ2-C 3.5Å; W95-A101 HydrophobicContact CZ2-CB 3.9Å; L97-A101 HydrophobicContact CB-CB 3.52Å; L97-A101 VanDerWaalsContact O-CB 3.23Å; L97-A101 WeakPolarHBondContact O-CB 3.08Å; G98-A101 PolarHBondContact O-N 3.21Å; N99-A101 PolarHBondContact O-N 2.79Å; A101-S105 WeakPolarHBondContact O-CB 3.43Å; A101-S105 PolarHBondContact O-N 3.47Å; A101-S105 PolarHBondContact O-OG 3.01Å
102C97.9Very high96.1Very high0 Ų046.5 Ų46.50%023%0.228CC..Hα-helixtrans-59.4-51.8173.7171.30000109.6W95 G98 N99 F100 S105 V106 T169 T170 C183W95-C102 VanDerWaalsContact CZ2-CA 3.44Å; W95-C102 HydrophobicContact CZ2-CB 4.01Å; W95-C102 VanDerWaalsContact CZ2-N 3.29Å; G98-C102 PolarHBondContact O-N 3.3Å; G98-C102 VanDerWaalsContact O-N 3.14Å; N99-C102 WeakPolarHBondContact O-CB 3.21Å; N99-C102 PolarHBondContact O-N 3.33Å; F100-C102 VanDerWaalsContact C-N 3.34Å; F100-C102 PolarHBondContact O-N 2.99Å; C102-S105 PolarHBondContact O-N 3.4Å; C102-S105 PolarHBondContact O-OG 3.39Å; C102-V106 VanDerWaalsContact O-CG2 3.3Å; C102-V106 WeakPolarHBondContact O-CG2 3.37Å; C102-V106 PolarHBondContact O-N 3.25Å; C102-T169 PolarHBondContact SG-O 3.37Å; C102-T170 HydrophobicContact CB-CG2 3.81Å; C102-C183 VanDerWaalsContact CA-SG 3.54Å; C102-C183 HydrophobicContact CB-CB 3.78Å; C102-C183 WeakPolarHBondContact CB-SG 3.34Å; C102-C183 WeakPolarHBondContact SG-CA 3.28Å; C102-C183 WeakPolarHBondContact SG-CB 3.32Å; C102-C183 CovalentContact SG-SG 2.03Å; C102-C183 PolarHBondContact SG-SG 2.71Å
103Q98.2Very high96.5Very high37 Ų3744.5 Ų44.517%0.17322%0.222CC..Hα-helixtrans-59.4-53179.5-69.7173.8-24.500112.7N99 F100 S105 V106 C107 I165 S168N99-Q103 VanDerWaalsContact ND2-CD 3.32Å; N99-Q103 PolarHBondContact ND2-NE2 2.96Å; N99-Q103 VanDerWaalsContact ND2-NE2 3.15Å; N99-Q103 PolarHBondContact ND2-OE1 2.86Å; N99-Q103 WeakPolarHBondContact O-CG 3.34Å; N99-Q103 PolarHBondContact O-N 3.3Å; F100-Q103 PolarHBondContact O-N 3.23Å; Q103-S105 PolarHBondContact O-N 3.28Å; Q103-V106 PolarHBondContact O-N 3.45Å; Q103-C107 WeakPolarHBondContact O-CB 3.33Å; Q103-C107 PolarHBondContact O-N 3.17Å; Q103-C107 VanDerWaalsContact O-N 3.08Å; Q103-I165 HydrophobicContact CB-CD1 4.28Å; Q103-I165 HydrophobicContact CB-CG2 4.4Å; Q103-I165 VanDerWaalsContact CG-O 3.24Å; Q103-I165 WeakPolarHBondContact CG-O 3.34Å; Q103-I165 PolarHBondContact NE2-O 3.24Å; Q103-I165 VanDerWaalsContact NE2-O 3.15Å; Q103-I165 WeakPolarHBondContact O-CD1 3.41Å; Q103-S168 WeakPolarHBondContact CA-OG 3.48Å; Q103-S168 WeakPolarHBondContact CG-O 3.46Å; Q103-S168 PolarHBondContact NE2-O 3.2Å; Q103-S168 VanDerWaalsContact NE2-O 3.16Å
104L97.8Very high97.1Very high66 Ų6641.2 Ų41.235%0.34620%0.204SC..Hα-helixtrans-61.9-44.3-179.4-178.561.9000111.6F100 C107 L108F100-L104 HydrophobicContact CE1-CD2 3.87Å; F100-L104 HydrophobicContact CZ-CD2 4.04Å; F100-L104 VanDerWaalsContact O-CB 3.31Å; F100-L104 WeakPolarHBondContact O-CB 3.43Å; F100-L104 PolarHBondContact O-N 3.28Å; L104-C107 PolarHBondContact O-N 2.86Å; L104-L108 HydrophobicContact CD1-CD1 3.91Å; L104-L108 HydrophobicContact CD1-CG 3.99Å; L104-L108 HydrophobicContact CD2-CD1 4.46Å; L104-L108 HydrophobicContact CG-CD1 3.83Å; L104-L108 HydrophobicContact CG-CG 4.29Å; L104-L108 WeakPolarHBondContact O-CB 3.28Å; L104-L108 VanDerWaalsContact O-CG 3.3Å; L104-L108 WeakPolarHBondContact O-CG 3.31Å; L104-L108 PolarHBondContact O-N 3.33Å
105S97.3Very high97.3Very high14 Ų1438.8 Ų38.810%0.09819%0.193CC..Hα-helixtrans-65.2-42.3-179.166.90000112W95 A101 C102 Q103 L108 Q109W95-S105 WeakPolarHBondContact CH2-OG 3.34Å; A101-S105 WeakPolarHBondContact O-CB 3.43Å; A101-S105 PolarHBondContact O-N 3.47Å; A101-S105 PolarHBondContact O-OG 3.01Å; C102-S105 PolarHBondContact O-N 3.4Å; C102-S105 PolarHBondContact O-OG 3.39Å; Q103-S105 PolarHBondContact O-N 3.28Å; S105-L108 PolarHBondContact O-N 3.48Å; S105-Q109 WeakPolarHBondContact O-CB 3.33Å; S105-Q109 WeakPolarHBondContact O-CG 3.21Å; S105-Q109 PolarHBondContact O-N 3.48Å; S105-Q109 PolarHBondContact O-NE2 3.44Å
106V97.5Very high97.4Very high16 Ų1637.4 Ų37.410%0.09719%0.188CC..Hα-helixtrans-61.5-47.5176.3174.60000110C102 Q103 L108 Q109 Y110 W164 F185C102-V106 VanDerWaalsContact O-CG2 3.3Å; C102-V106 WeakPolarHBondContact O-CG2 3.37Å; C102-V106 PolarHBondContact O-N 3.25Å; Q103-V106 PolarHBondContact O-N 3.45Å; V106-L108 PolarHBondContact O-N 3.39Å; V106-Q109 PolarHBondContact O-N 3.01Å; V106-Y110 HydrophobicContact CG1-CD2 4.02Å; V106-Y110 HydrophobicContact CG1-CE2 3.95Å; V106-Y110 WeakPolarHBondContact O-CD2 3.08Å; V106-Y110 PolarHBondContact O-N 3.05Å; V106-W164 HydrophobicContact CG1-CB 4.1Å; V106-W164 HydrophobicContact CG1-CD2 4.29Å; V106-W164 HydrophobicContact CG1-CE3 4.16Å; V106-W164 HydrophobicContact CG1-CG 4.29Å; V106-F185 HydrophobicContact CG1-CE1 4.02Å
107C98.3Very high97.6Very high6 Ų630.1 Ų30.14%0.04116%0.161CC..Hα-helixtrans-58.1-49.7177.7179.30000112.4Q103 L104 Q109 Y110 L111 N161 W164 I165Q103-C107 WeakPolarHBondContact O-CB 3.33Å; Q103-C107 PolarHBondContact O-N 3.17Å; Q103-C107 VanDerWaalsContact O-N 3.08Å; L104-C107 PolarHBondContact O-N 2.86Å; C107-Q109 VanDerWaalsContact C-N 3.32Å; C107-Q109 PolarHBondContact O-N 2.63Å; C107-Y110 PolarHBondContact O-N 2.79Å; C107-L111 WeakPolarHBondContact O-CB 3.49Å; C107-L111 PolarHBondContact O-N 2.9Å; C107-N161 PolarHBondContact SG-O 2.95Å; C107-N161 VanDerWaalsContact SG-O 3.38Å; C107-W164 HydrophobicContact CB-CB 4.14Å; C107-I165 HydrophobicContact CB-CD1 3.53Å; C107-I165 HydrophobicContact CB-CG1 3.97Å
108L98.4Very high97.8Very high44 Ų4427.6 Ų27.623%0.2315%0.148CC..Hα-helixtrans-65.6-33.5-180-68.7176.4000112.9L75 T79 L104 S105 V106 S112L75-L108 HydrophobicContact CD2-CD2 4.3Å; T79-L108 HydrophobicContact CG2-CB 3.99Å; T79-L108 HydrophobicContact CG2-CD1 4Å; L104-L108 HydrophobicContact CD1-CD1 3.91Å; L104-L108 HydrophobicContact CD1-CG 3.99Å; L104-L108 HydrophobicContact CD2-CD1 4.46Å; L104-L108 HydrophobicContact CG-CD1 3.83Å; L104-L108 HydrophobicContact CG-CG 4.29Å; L104-L108 WeakPolarHBondContact O-CB 3.28Å; L104-L108 VanDerWaalsContact O-CG 3.3Å; L104-L108 WeakPolarHBondContact O-CG 3.31Å; L104-L108 PolarHBondContact O-N 3.33Å; S105-L108 PolarHBondContact O-N 3.48Å; V106-L108 PolarHBondContact O-N 3.39Å; L108-S112 WeakPolarHBondContact O-CB 3.31Å; L108-S112 PolarHBondContact O-N 3.45Å; L108-S112 PolarHBondContact O-OG 2.94Å
109Q97.8Very high97.8Very high51 Ų5126.3 Ų26.324%0.23814%0.135CC..Hα-helixtrans-61.8-52.6175.7-76.5173.77500111S80 S105 V106 C107 S112 V113S80-Q109 WeakPolarHBondContact OG-CG 3.27Å; S105-Q109 WeakPolarHBondContact O-CB 3.33Å; S105-Q109 WeakPolarHBondContact O-CG 3.21Å; S105-Q109 PolarHBondContact O-N 3.48Å; S105-Q109 PolarHBondContact O-NE2 3.44Å; V106-Q109 PolarHBondContact O-N 3.01Å; C107-Q109 VanDerWaalsContact C-N 3.32Å; C107-Q109 PolarHBondContact O-N 2.63Å; Q109-S112 PolarHBondContact O-OG 3.28Å; Q109-V113 VanDerWaalsContact O-CG2 3.29Å; Q109-V113 WeakPolarHBondContact O-CG2 3.36Å; Q109-V113 PolarHBondContact O-N 3.44Å
110Y97.9Very high97.7Very high29 Ų2924 Ų2411%0.11412%0.122CC..Hα-helixtrans-65.9-46.6177.4-75.9-84.3000111.9V106 C107 S112 V113 D114 N161 W164V106-Y110 HydrophobicContact CG1-CD2 4.02Å; V106-Y110 HydrophobicContact CG1-CE2 3.95Å; V106-Y110 WeakPolarHBondContact O-CD2 3.08Å; V106-Y110 PolarHBondContact O-N 3.05Å; C107-Y110 PolarHBondContact O-N 2.79Å; Y110-S112 VanDerWaalsContact C-N 3.3Å; Y110-S112 PolarHBondContact O-N 3.49Å; Y110-V113 PolarHBondContact O-N 3.33Å; Y110-D114 WeakPolarHBondContact O-CB 3.32Å; Y110-D114 PolarHBondContact O-N 3.14Å; Y110-N161 WeakPolarHBondContact CB-OD1 3.25Å; Y110-W164 HydrophobicContact CD1-CZ2 4.17Å; Y110-W164 AromaticContact CD2-CD1 3.93Å; Y110-W164 AromaticContact CD2-CD2 3.98Å; Y110-W164 HydrophobicContact CD2-CD2 3.98Å; Y110-W164 AromaticContact CD2-CE2 3.66Å; Y110-W164 HydrophobicContact CD2-CG 4.17Å; Y110-W164 HydrophobicContact CD2-CZ2 4.12Å; Y110-W164 AromaticContact CD2-NE1 3.61Å; Y110-W164 AromaticContact CE1-CZ2 3.96Å; Y110-W164 HydrophobicContact CE1-CZ2 3.96Å; Y110-W164 HydrophobicContact CE2-CD2 4.14Å; Y110-W164 AromaticContact CE2-CE2 3.85Å; Y110-W164 HydrophobicContact CE2-CE3 4.41Å; Y110-W164 HydrophobicContact CE2-CH2 4.22Å; Y110-W164 AromaticContact CE2-CZ2 3.91Å; Y110-W164 HydrophobicContact CE2-CZ2 3.91Å; Y110-W164 HydrophobicContact CE2-CZ3 4.45Å; Y110-W164 AromaticContact CG-CE2 3.87Å; Y110-W164 HydrophobicContact CG-CZ2 4.28Å; Y110-W164 AromaticContact CG-NE1 3.48Å; Y110-W164 AromaticContact CZ-CZ2 3.83Å
111L98.5Very high97.7Very high7 Ų717.6 Ų17.64%0.03710%0.096CC..Hα-helixtrans-52.6-47178.3179.9162.7000112.6L75 C107 D114 A115 W154 L158 N161L75-L111 HydrophobicContact CD2-CD2 3.97Å; C107-L111 WeakPolarHBondContact O-CB 3.49Å; C107-L111 PolarHBondContact O-N 2.9Å; L111-D114 PolarHBondContact O-N 3.05Å; L111-A115 VanDerWaalsContact O-CB 3.24Å; L111-A115 WeakPolarHBondContact O-CB 3.47Å; L111-A115 PolarHBondContact O-N 2.82Å; L111-W154 HydrophobicContact CD2-CE3 4.08Å; L111-W154 HydrophobicContact CD2-CZ3 3.72Å; L111-L158 HydrophobicContact CD1-CB 4.05Å; L111-L158 HydrophobicContact CD1-CD1 3.55Å; L111-L158 HydrophobicContact CD1-CG 4.42Å; L111-N161 WeakPolarHBondContact CA-ND2 3.2Å; L111-N161 HydrophobicContact CB-CB 4.06Å
112S98.3Very high97.7Very high0 Ų017 Ų170%09%0.091CC..Hα-helixtrans-67.7-39.8-176.758.90000112.5S72 V76 L108 Q109 Y110 S116S72-S112 WeakPolarHBondContact CB-O 3.29Å; V76-S112 VanDerWaalsContact CG2-OG 3.23Å; V76-S112 WeakPolarHBondContact CG2-OG 3.41Å; L108-S112 WeakPolarHBondContact O-CB 3.31Å; L108-S112 PolarHBondContact O-N 3.45Å; L108-S112 PolarHBondContact O-OG 2.94Å; Q109-S112 PolarHBondContact O-OG 3.28Å; Y110-S112 VanDerWaalsContact C-N 3.3Å; Y110-S112 PolarHBondContact O-N 3.49Å; S112-S116 WeakPolarHBondContact O-CB 3.38Å; S112-S116 PolarHBondContact O-N 3.06Å
113V97.6Very high97.5Very high17 Ų1717.6 Ų17.610%0.1039%0.094CC..Hα-helixtrans-63.7-45.6174.9173.20000111.1V76 Q109 Y110 S116 A117 W292V76-V113 HydrophobicContact CG2-CG2 3.96Å; Q109-V113 VanDerWaalsContact O-CG2 3.29Å; Q109-V113 WeakPolarHBondContact O-CG2 3.36Å; Q109-V113 PolarHBondContact O-N 3.44Å; Y110-V113 PolarHBondContact O-N 3.33Å; V113-S116 WeakPolarHBondContact O-CB 3.31Å; V113-S116 PolarHBondContact O-N 2.86Å; V113-A117 PolarHBondContact O-N 2.92Å; V113-W292 HydrophobicContact CB-CH2 4.03Å; V113-W292 HydrophobicContact CB-CZ2 4.19Å; V113-W292 HydrophobicContact CG1-CE3 4.49Å; V113-W292 HydrophobicContact CG1-CH2 3.44Å; V113-W292 VanDerWaalsContact CG1-CH2 3.44Å; V113-W292 HydrophobicContact CG1-CZ2 3.52Å; V113-W292 HydrophobicContact CG1-CZ3 3.94Å; V113-W292 HydrophobicContact CG2-CH2 3.32Å; V113-W292 HydrophobicContact CG2-CZ2 3.68Å; V113-W292 HydrophobicContact CG2-CZ3 4.33Å
114D98.4Very high97.3Very high0 Ų015.8 Ų15.80%09%0.085CC..Hα-helixtrans-66.9-41.7-178.5-66.2-12.1000111.8Y110 L111 S116 A117 L118 T157 N161 F203Y110-D114 WeakPolarHBondContact O-CB 3.32Å; Y110-D114 PolarHBondContact O-N 3.14Å; L111-D114 PolarHBondContact O-N 3.05Å; D114-S116 VanDerWaalsContact C-N 3.3Å; D114-S116 PolarHBondContact O-N 2.85Å; D114-A117 PolarHBondContact O-N 3.3Å; D114-L118 PolarHBondContact O-N 2.88Å; D114-T157 HydrophobicContact CB-CG2 3.88Å; D114-N161 PolarHBondContact OD2-ND2 2.78Å; D114-N161 PolarHBondContact OD2-OD1 3.44Å; D114-F203 HydrophobicContact CB-CD1 3.54Å; D114-F203 HydrophobicContact CB-CD2 4.26Å; D114-F203 HydrophobicContact CB-CE1 3.61Å; D114-F203 HydrophobicContact CB-CE2 4.34Å; D114-F203 HydrophobicContact CB-CG 3.87Å; D114-F203 HydrophobicContact CB-CZ 4.03Å; D114-F203 WeakPolarHBondContact OD1-CG 3.41Å
115A98.6Very high97.2Very high0 Ų015.2 Ų15.20%08%0.084CC..Hα-helixtrans-62.8-37.4174.900000111.8L111 S119 W154 T157L111-A115 VanDerWaalsContact O-CB 3.24Å; L111-A115 WeakPolarHBondContact O-CB 3.47Å; L111-A115 PolarHBondContact O-N 2.82Å; A115-S119 WeakPolarHBondContact O-CB 3.4Å; A115-S119 PolarHBondContact O-N 3.48Å; A115-S119 PolarHBondContact O-OG 3.34Å; A115-W154 HydrophobicContact CB-CH2 4.47Å; A115-W154 HydrophobicContact CB-CZ2 4.49Å; A115-T157 HydrophobicContact CB-CG2 4.36Å
116S97.1Very high97Very high4 Ų414.6 Ų14.63%0.0288%0.08CC..Hα-helixtrans-63.4-49.6174.7-176.50000111L69 S72 D73 S112 V113 D114 L118 S119 I120L69-S116 WeakPolarHBondContact CD1-OG 3.2Å; S72-S116 WeakPolarHBondContact OG-CA 3.48Å; D73-S116 PolarHBondContact OD1-OG 3.19Å; S112-S116 WeakPolarHBondContact O-CB 3.38Å; S112-S116 PolarHBondContact O-N 3.06Å; V113-S116 WeakPolarHBondContact O-CB 3.31Å; V113-S116 PolarHBondContact O-N 2.86Å; D114-S116 VanDerWaalsContact C-N 3.3Å; D114-S116 PolarHBondContact O-N 2.85Å; S116-L118 PolarHBondContact O-N 3.47Å; S116-S119 WeakPolarHBondContact O-CB 3.31Å; S116-S119 PolarHBondContact O-N 3.31Å; S116-I120 WeakPolarHBondContact O-CG1 3.03Å; S116-I120 PolarHBondContact O-N 3.43Å
117A97.4Very high96.9Very high0 Ų016.6 Ų16.60%09%0.086CC..Hα-helixtrans-59.2-45.9179.100000113V113 D114 I120 C121 F203 F288V113-A117 PolarHBondContact O-N 2.92Å; D114-A117 PolarHBondContact O-N 3.3Å; A117-I120 PolarHBondContact O-N 3.22Å; A117-C121 PolarHBondContact O-N 3.17Å; A117-C121 VanDerWaalsContact O-N 3.11Å; A117-C121 PolarHBondContact O-SG 3.35Å; A117-C121 VanDerWaalsContact O-SG 3.34Å; A117-F203 HydrophobicContact CB-CB 4.38Å; A117-F203 WeakPolarHBondContact CB-O 3.32Å; A117-F288 HydrophobicContact CB-CE2 3.9Å; A117-F288 HydrophobicContact CB-CZ 3.82Å
118L97.9Very high96.7Very high32 Ų3218.9 Ų18.917%0.1689%0.094CC..Hα-helixtrans-69.5-34.3176.8-67.3-171.5000112.5D114 S116 I120 C121 A122 I153 F156 T157 F203D114-L118 PolarHBondContact O-N 2.88Å; S116-L118 PolarHBondContact O-N 3.47Å; L118-I120 VanDerWaalsContact C-N 3.34Å; L118-I120 PolarHBondContact O-N 3.07Å; L118-C121 WeakPolarHBondContact O-CB 3.37Å; L118-C121 PolarHBondContact O-N 3.28Å; L118-A122 WeakPolarHBondContact O-CB 3.38Å; L118-A122 PolarHBondContact O-N 2.93Å; L118-I153 HydrophobicContact CB-CD1 4.19Å; L118-I153 HydrophobicContact CB-CG1 4.11Å; L118-I153 HydrophobicContact CB-CG2 3.75Å; L118-I153 HydrophobicContact CD1-CG1 4.49Å; L118-I153 HydrophobicContact CD1-CG2 4.15Å; L118-F156 HydrophobicContact CD1-CD1 3.69Å; L118-F156 HydrophobicContact CD1-CE1 4.03Å; L118-T157 HydrophobicContact CD1-CG2 3.86Å; L118-F203 HydrophobicContact CD1-CD1 4.4Å; L118-F203 HydrophobicContact CD1-CE1 3.77Å; L118-F203 HydrophobicContact CD2-CD1 4.24Å; L118-F203 HydrophobicContact CD2-CE1 4.29Å; L118-F203 HydrophobicContact CG-CD1 3.99Å; L118-F203 HydrophobicContact CG-CE1 3.88Å
119S97Very high96.5Very high0 Ų017.6 Ų17.60%09%0.088CC..Hα-helixtrans-62.4-40.8173.7-65.10000111.4S68 A115 S116 A122 F123S68-S119 PolarHBondContact OG-OG 3.48Å; S68-S119 VanDerWaalsContact OG-OG 3.07Å; A115-S119 WeakPolarHBondContact O-CB 3.4Å; A115-S119 PolarHBondContact O-N 3.48Å; A115-S119 PolarHBondContact O-OG 3.34Å; S116-S119 WeakPolarHBondContact O-CB 3.31Å; S116-S119 PolarHBondContact O-N 3.31Å; S119-A122 PolarHBondContact O-N 3.17Å; S119-F123 WeakPolarHBondContact O-CB 3.43Å; S119-F123 PolarHBondContact O-N 3.02Å
120I95Very high96.3Very high6 Ų616.4 Ų16.43%0.0319%0.088CC..Hα-helixtrans-62.9-41.3174.2-68.2167000111.1L69 S116 A117 L118 S124 T211 F288L69-I120 HydrophobicContact CD1-CD1 4.23Å; L69-I120 HydrophobicContact CD1-CG1 3.9Å; L69-I120 HydrophobicContact CD2-CG1 4.02Å; S116-I120 WeakPolarHBondContact O-CG1 3.03Å; S116-I120 PolarHBondContact O-N 3.43Å; A117-I120 PolarHBondContact O-N 3.22Å; L118-I120 VanDerWaalsContact C-N 3.34Å; L118-I120 PolarHBondContact O-N 3.07Å; I120-S124 WeakPolarHBondContact O-CB 3.08Å; I120-S124 PolarHBondContact O-N 3.25Å; I120-S124 PolarHBondContact O-OG 2.71Å; I120-T211 HydrophobicContact CG2-CG2 4.3Å; I120-F288 HydrophobicContact CD1-CB 4.38Å; I120-F288 HydrophobicContact CD1-CD2 3.72Å; I120-F288 HydrophobicContact CD1-CE2 4.34Å; I120-F288 HydrophobicContact CD1-CG 4.2Å
121C96.8Very high96Very high15 Ų1517 Ų1710%0.1019%0.094CC..Hα-helixtrans-62.7-53.2175.8-69.40000112A117 L118 F123 S124 V125 P207A117-C121 PolarHBondContact O-N 3.17Å; A117-C121 VanDerWaalsContact O-N 3.11Å; A117-C121 PolarHBondContact O-SG 3.35Å; A117-C121 VanDerWaalsContact O-SG 3.34Å; L118-C121 WeakPolarHBondContact O-CB 3.37Å; L118-C121 PolarHBondContact O-N 3.28Å; C121-F123 VanDerWaalsContact C-N 3.29Å; C121-F123 PolarHBondContact O-N 3.44Å; C121-S124 WeakPolarHBondContact O-CA 3.21Å; C121-S124 WeakPolarHBondContact O-CB 3.39Å; C121-S124 PolarHBondContact O-N 2.96Å; C121-V125 WeakPolarHBondContact O-CG2 3.43Å; C121-V125 PolarHBondContact O-N 3.17Å; C121-P207 WeakPolarHBondContact SG-CA 3.43Å; C121-P207 WeakPolarHBondContact SG-CB 3.42Å
122A96.9Very high95.8Very high13 Ų1317.3 Ų17.311%0.10710%0.096CC..Hα-helixtrans-61.7-40.4-178.600000111.5Y65 L118 S119 S124 V125 E126 I149 I153Y65-A122 HydrophobicContact CD1-CB 3.73Å; Y65-A122 HydrophobicContact CE1-CB 3.47Å; Y65-A122 VanDerWaalsContact CE1-CB 3.47Å; L118-A122 WeakPolarHBondContact O-CB 3.38Å; L118-A122 PolarHBondContact O-N 2.93Å; S119-A122 PolarHBondContact O-N 3.17Å; A122-S124 VanDerWaalsContact C-N 3.33Å; A122-S124 PolarHBondContact O-N 3.03Å; A122-V125 PolarHBondContact O-N 3.42Å; A122-E126 VanDerWaalsContact O-CB 3.32Å; A122-E126 WeakPolarHBondContact O-CB 3.36Å; A122-E126 PolarHBondContact O-N 3.33Å; A122-I149 HydrophobicContact CB-CG2 4.08Å; A122-I153 HydrophobicContact CB-CD1 3.9Å
123F94.1Very high95.5Very high12 Ų1221.6 Ų21.65%0.05311%0.112CC..Hα-helixtrans-56.1-47.1169.9173-88000111.6T62 Y65 L66 S119 C121 E126 R127 L281T62-F123 HydrophobicContact CG2-CD2 3.77Å; T62-F123 HydrophobicContact CG2-CE2 3.22Å; T62-F123 HydrophobicContact CG2-CZ 4.05Å; Y65-F123 HydrophobicContact CG-CB 4.41Å; L66-F123 HydrophobicContact CD1-CE2 4.32Å; L66-F123 HydrophobicContact CD2-CD2 3.81Å; L66-F123 HydrophobicContact CD2-CE2 3.59Å; L66-F123 HydrophobicContact CD2-CZ 4.38Å; L66-F123 HydrophobicContact CG-CD2 4.1Å; L66-F123 HydrophobicContact CG-CE2 3.86Å; S119-F123 WeakPolarHBondContact O-CB 3.43Å; S119-F123 PolarHBondContact O-N 3.02Å; C121-F123 VanDerWaalsContact C-N 3.29Å; C121-F123 PolarHBondContact O-N 3.44Å; F123-E126 WeakPolarHBondContact O-CB 3.48Å; F123-E126 PolarHBondContact O-N 2.95Å; F123-R127 HydrophobicContact CD1-CG 4.28Å; F123-R127 HydrophobicContact CE1-CG 3.8Å; F123-R127 HydrophobicContact CE2-CG 4.38Å; F123-R127 HydrophobicContact CZ-CG 3.83Å; F123-R127 VanDerWaalsContact O-CG 3.24Å; F123-R127 WeakPolarHBondContact O-CG 3.38Å; F123-R127 PolarHBondContact O-N 3.29Å; F123-L281 HydrophobicContact CE1-CB 4.31Å; F123-L281 HydrophobicContact CE1-CD1 3.54Å; F123-L281 HydrophobicContact CE1-CD2 3.37Å; F123-L281 HydrophobicContact CE1-CG 3.82Å; F123-L281 HydrophobicContact CZ-CD1 3.78Å; F123-L281 HydrophobicContact CZ-CD2 3.27Å; F123-L281 HydrophobicContact CZ-CG 4.05Å
124S94.6Very high95Very high0 Ų024.3 Ų24.30%013%0.131CC..Hα-helixtrans-67.6-40.5-178.4-580000112.4I120 C121 A122 E126 R127 W128 Y215I120-S124 WeakPolarHBondContact O-CB 3.08Å; I120-S124 PolarHBondContact O-N 3.25Å; I120-S124 PolarHBondContact O-OG 2.71Å; C121-S124 WeakPolarHBondContact O-CA 3.21Å; C121-S124 WeakPolarHBondContact O-CB 3.39Å; C121-S124 PolarHBondContact O-N 2.96Å; A122-S124 VanDerWaalsContact C-N 3.33Å; A122-S124 PolarHBondContact O-N 3.03Å; S124-E126 PolarHBondContact O-N 3.38Å; S124-R127 PolarHBondContact O-N 2.95Å; S124-W128 VanDerWaalsContact O-CB 3.31Å; S124-W128 WeakPolarHBondContact O-CB 3.49Å; S124-W128 PolarHBondContact O-N 3.05Å; S124-Y215 WeakPolarHBondContact CB-OH 3.39Å; S124-Y215 VanDerWaalsContact OG-CE2 3.27Å; S124-Y215 WeakPolarHBondContact OG-CE2 3.44Å; S124-Y215 PolarHBondContact OG-OH 3.47Å
125V95.2Very high94.5Very high54 Ų5432.3 Ų32.333%0.32717%0.17SC..Hα-helixtrans-58.1-48172.1173.70000110.5C121 A122 R127 W128 V129 M214C121-V125 WeakPolarHBondContact O-CG2 3.43Å; C121-V125 PolarHBondContact O-N 3.17Å; A122-V125 PolarHBondContact O-N 3.42Å; V125-R127 VanDerWaalsContact C-N 3.28Å; V125-R127 PolarHBondContact O-N 3.22Å; V125-W128 PolarHBondContact O-N 3.03Å; V125-V129 HydrophobicContact CG1-CG2 4.42Å; V125-V129 WeakPolarHBondContact O-CG2 3.38Å; V125-V129 PolarHBondContact O-N 2.9Å; V125-M214 HydrophobicContact CB-CE 4.36Å; V125-M214 HydrophobicContact CB-SD 4.28Å; V125-M214 HydrophobicContact CG2-CE 3.5Å; V125-M214 HydrophobicContact CG2-SD 3.69Å
126E94.7Very high94Very high1 Ų139.2 Ų39.21%0.00520%0.196CC..Hα-helixtrans-59.1-39178.7-178.666.8-136.200112P61 Y65 A122 F123 S124 G130 C141 R145P61-E126 HydrophobicContact CB-CG 4.36Å; Y65-E126 HydrophobicContact CD2-CB 4.13Å; Y65-E126 HydrophobicContact CD2-CG 4.18Å; Y65-E126 HydrophobicContact CE2-CB 3.69Å; Y65-E126 HydrophobicContact CE2-CG 3.76Å; A122-E126 VanDerWaalsContact O-CB 3.32Å; A122-E126 WeakPolarHBondContact O-CB 3.36Å; A122-E126 PolarHBondContact O-N 3.33Å; F123-E126 WeakPolarHBondContact O-CB 3.48Å; F123-E126 PolarHBondContact O-N 2.95Å; S124-E126 PolarHBondContact O-N 3.38Å; E126-G130 PolarHBondContact O-N 3.05Å; E126-G130 VanDerWaalsContact O-N 3.11Å; E126-C141 WeakPolarHBondContact OE1-CA 3.46Å; E126-C141 WeakPolarHBondContact OE1-CB 3.24Å; E126-C141 PolarHBondContact OE1-SG 3.38Å; E126-R145 IonicContact OE1-NH2 3.79Å; E126-R145 IonicContact OE2-CZ 3.8Å; E126-R145 IonicContact OE2-NH2 3.36Å; E126-R145 PolarHBondContact OE2-NH2 3.38Å
127R93.5Very high93.5Very high58 Ų5839.8 Ų39.822%0.21920%0.201CC..Hα-helixtrans-73.1-39.9175.9-62-65.975.4179.2-10.6112.4T62 F123 S124 V125 G130 I131 I218 L281T62-R127 PolarHBondContact OG1-NE 3.35Å; T62-R127 PolarHBondContact OG1-NH1 2.9Å; T62-R127 PolarHBondContact OG1-NH2 2.66Å; F123-R127 HydrophobicContact CD1-CG 4.28Å; F123-R127 HydrophobicContact CE1-CG 3.8Å; F123-R127 HydrophobicContact CE2-CG 4.38Å; F123-R127 HydrophobicContact CZ-CG 3.83Å; F123-R127 VanDerWaalsContact O-CG 3.24Å; F123-R127 WeakPolarHBondContact O-CG 3.38Å; F123-R127 PolarHBondContact O-N 3.29Å; S124-R127 PolarHBondContact O-N 2.95Å; V125-R127 VanDerWaalsContact C-N 3.28Å; V125-R127 PolarHBondContact O-N 3.22Å; R127-G130 PolarHBondContact O-N 3.07Å; R127-I131 WeakPolarHBondContact O-CB 3.41Å; R127-I131 WeakPolarHBondContact O-CG1 3.23Å; R127-I131 PolarHBondContact O-N 3.18Å; R127-I218 HydrophobicContact CB-CD1 4.35Å; R127-L281 HydrophobicContact CB-CD1 4.04Å; R127-L281 HydrophobicContact CG-CD1 3.57Å
128W94.8Very high92.9Very high54 Ų5448 Ų4821%0.20524%0.239CC..Hα-helixtrans-62-49.5176.5175.280.1000111.5S124 V125 G130 I131 C132 Y133 M214 I218S124-W128 VanDerWaalsContact O-CB 3.31Å; S124-W128 WeakPolarHBondContact O-CB 3.49Å; S124-W128 PolarHBondContact O-N 3.05Å; V125-W128 PolarHBondContact O-N 3.03Å; W128-G130 PolarHBondContact O-N 3.21Å; W128-I131 PolarHBondContact O-N 2.96Å; W128-C132 WeakPolarHBondContact O-CB 3.45Å; W128-C132 PolarHBondContact O-N 3.49Å; W128-Y133 HydrophobicContact CD2-CE2 4.23Å; W128-Y133 AromaticContact CE2-CE2 3.74Å; W128-Y133 HydrophobicContact CE3-CE2 4.33Å; W128-Y133 HydrophobicContact CH2-CD2 4.43Å; W128-Y133 AromaticContact CH2-CE2 3.52Å; W128-Y133 HydrophobicContact CH2-CE2 3.52Å; W128-Y133 AromaticContact CZ2-CE2 3.41Å; W128-Y133 HydrophobicContact CZ2-CE2 3.41Å; W128-Y133 VanDerWaalsContact CZ2-CE2 3.41Å; W128-Y133 AromaticContact CZ2-CZ 3.96Å; W128-Y133 HydrophobicContact CZ3-CD2 4.49Å; W128-Y133 AromaticContact CZ3-CE2 3.99Å; W128-Y133 HydrophobicContact CZ3-CE2 3.99Å; W128-M214 HydrophobicContact CB-CB 4.12Å; W128-M214 HydrophobicContact CB-CG 4.08Å; W128-M214 HydrophobicContact CB-SD 4.2Å; W128-M214 HydrophobicContact CD2-CG 4.36Å; W128-M214 HydrophobicContact CG-CB 4.19Å; W128-M214 HydrophobicContact CG-CG 3.92Å; W128-M214 HydrophobicContact CG-SD 4.47Å; W128-I218 HydrophobicContact CB-CD1 4.02Å; W128-I218 HydrophobicContact CB-CG1 4.25Å
129V95.2Very high92.2Very high17 Ų1752.4 Ų52.410%0.10325%0.254CS..Hα-helixtrans-59.2-48.2174.9175.70000110.8V125 I131 Y133 M140V125-V129 HydrophobicContact CG1-CG2 4.42Å; V125-V129 WeakPolarHBondContact O-CG2 3.38Å; V125-V129 PolarHBondContact O-N 2.9Å; V129-I131 VanDerWaalsContact C-N 3.26Å; V129-I131 PolarHBondContact O-N 2.87Å; V129-Y133 CarbonylContact O-C 3.45Å; V129-Y133 WeakPolarHBondContact O-CA 3.21Å; V129-Y133 PolarHBondContact O-N 2.74Å; V129-M140 HydrophobicContact CG1-CB 3.81Å; V129-M140 HydrophobicContact CG1-CG 4.36Å
130G93.3Very high91.5Very high25 Ų2556.1 Ų56.126%0.25827%0.273SS..Hα-helixtrans-60.2-30.4-177.800000114.9E126 R127 W128E126-G130 PolarHBondContact O-N 3.05Å; E126-G130 VanDerWaalsContact O-N 3.11Å; R127-G130 PolarHBondContact O-N 3.07Å; W128-G130 PolarHBondContact O-N 3.21Å
131I91.7Very high91.4Very high43 Ų4357.1 Ų57.122%0.22128%0.28CS..Hα-helixtrans-100.8-44.1-176.2-64.1171.2000111.9R127 W128 V129 I218 L222 V278R127-I131 WeakPolarHBondContact O-CB 3.41Å; R127-I131 WeakPolarHBondContact O-CG1 3.23Å; R127-I131 PolarHBondContact O-N 3.18Å; W128-I131 PolarHBondContact O-N 2.96Å; V129-I131 VanDerWaalsContact C-N 3.26Å; V129-I131 PolarHBondContact O-N 2.87Å; I131-I218 HydrophobicContact CD1-CG2 3.78Å; I131-I218 HydrophobicContact CG2-CG2 4.26Å; I131-L222 HydrophobicContact CG2-CD2 3.8Å; I131-L222 HydrophobicContact CG2-CG 3.92Å; I131-V278 HydrophobicContact CD1-CG2 3.77Å
132C93.3Very high91.3Very high12 Ų1258.9 Ų58.98%0.08129%0.29CS..Hα-helixtrans-80.7-27.1-174.3-60.10000112.5W128W128-C132 WeakPolarHBondContact O-CB 3.45Å; W128-C132 PolarHBondContact O-N 3.49Å
133Y92.9Very high91.2Very high90 Ų9061.4 Ų61.435%0.35330%0.301SS..  trans-129.866.7-176.5-55.2-85.2000111.7W128 V129 M135 R136 A137W128-Y133 HydrophobicContact CD2-CE2 4.23Å; W128-Y133 AromaticContact CE2-CE2 3.74Å; W128-Y133 HydrophobicContact CE3-CE2 4.33Å; W128-Y133 HydrophobicContact CH2-CD2 4.43Å; W128-Y133 AromaticContact CH2-CE2 3.52Å; W128-Y133 HydrophobicContact CH2-CE2 3.52Å; W128-Y133 AromaticContact CZ2-CE2 3.41Å; W128-Y133 HydrophobicContact CZ2-CE2 3.41Å; W128-Y133 VanDerWaalsContact CZ2-CE2 3.41Å; W128-Y133 AromaticContact CZ2-CZ 3.96Å; W128-Y133 HydrophobicContact CZ3-CD2 4.49Å; W128-Y133 AromaticContact CZ3-CE2 3.99Å; W128-Y133 HydrophobicContact CZ3-CE2 3.99Å; V129-Y133 CarbonylContact O-C 3.45Å; V129-Y133 WeakPolarHBondContact O-CA 3.21Å; V129-Y133 PolarHBondContact O-N 2.74Å; Y133-M135 VanDerWaalsContact C-N 3.3Å; Y133-M135 PolarHBondContact O-N 3.12Å; Y133-R136 CarbonylContact O-C 3.43Å; Y133-R136 WeakPolarHBondContact O-CA 3.3Å; Y133-R136 PolarHBondContact O-N 2.92Å; Y133-A137 PolarHBondContact O-N 3.49Å
134P87.9Confident91.4Very high75 Ų7569 Ų6949%0.48734%0.335SS..Hα-helixtrans-59.3-36.8-173.623.5-34.6000113.7R136 A137P134-R136 PolarHBondContact O-N 3.31Å; P134-A137 WeakPolarHBondContact O-CB 3.48Å; P134-A137 PolarHBondContact O-N 2.99Å
135M87.5Confident91.4Very high168 Ų16872 Ų7283%0.82835%0.345SS*.Hα-helixtrans-65.5-31.9175.1-59.2-55-69.700111.7Y133Y133-M135 VanDerWaalsContact C-N 3.3Å; Y133-M135 PolarHBondContact O-N 3.12Å
136R87.6Confident91.5Very high144 Ų14469.4 Ų69.454%0.54333%0.33SS..Hα-helixtrans-82.5-28.6177.8-53.6-164.9167.4168.3-1.7113.7Y133 P134 H138 Y139 M140Y133-R136 CarbonylContact O-C 3.43Å; Y133-R136 WeakPolarHBondContact O-CA 3.3Å; Y133-R136 PolarHBondContact O-N 2.92Å; P134-R136 PolarHBondContact O-N 3.31Å; R136-H138 PolarHBondContact O-N 3.47Å; R136-Y139 VanDerWaalsContact CA-CZ 3.49Å; R136-Y139 HydrophobicContact CB-CE1 3.83Å; R136-Y139 HydrophobicContact CB-CE2 4.24Å; R136-Y139 VanDerWaalsContact CB-CZ 3.49Å; R136-Y139 WeakPolarHBondContact CB-OH 3.23Å; R136-Y139 WeakPolarHBondContact CD-OH 3.42Å; R136-Y139 HydrophobicContact CG-CE1 4.12Å; R136-Y139 WeakPolarHBondContact CG-OH 3.43Å; R136-Y139 WeakPolarHBondContact O-CD1 3.32Å; R136-Y139 PolarHBondContact O-N 3.3Å; R136-M140 WeakPolarHBondContact O-CB 3.48Å; R136-M140 PolarHBondContact O-N 3.45Å
137A87.2Confident91.7Very high16 Ų1673.5 Ų73.513%0.13235%0.351CS..Hα-helixtrans-58.6-34.1-178.100000112.5Y133 P134 Y139 M140 C141Y133-A137 PolarHBondContact O-N 3.49Å; P134-A137 WeakPolarHBondContact O-CB 3.48Å; P134-A137 PolarHBondContact O-N 2.99Å; A137-Y139 VanDerWaalsContact C-N 3.29Å; A137-Y139 PolarHBondContact O-N 3.34Å; A137-M140 PolarHBondContact O-N 2.94Å; A137-C141 WeakPolarHBondContact O-CB 3.39Å; A137-C141 PolarHBondContact O-N 3.26Å
138H83Confident91.9Very high172 Ų17278.6 Ų78.680%0.79638%0.375SS*.Hα-helixtrans-58.1-39.4-179.3-176.2-90.4000113.2R136R136-H138 PolarHBondContact O-N 3.47Å
139Y83.5Confident92.1Very high125 Ų12579.1 Ų79.149%0.4938%0.381SS..Hα-helixtrans-96-26.3179.959.6-100.5000113.1R136 A137R136-Y139 VanDerWaalsContact CA-CZ 3.49Å; R136-Y139 HydrophobicContact CB-CE1 3.83Å; R136-Y139 HydrophobicContact CB-CE2 4.24Å; R136-Y139 VanDerWaalsContact CB-CZ 3.49Å; R136-Y139 WeakPolarHBondContact CB-OH 3.23Å; R136-Y139 WeakPolarHBondContact CD-OH 3.42Å; R136-Y139 HydrophobicContact CG-CE1 4.12Å; R136-Y139 WeakPolarHBondContact CG-OH 3.43Å; R136-Y139 WeakPolarHBondContact O-CD1 3.32Å; R136-Y139 PolarHBondContact O-N 3.3Å; A137-Y139 VanDerWaalsContact C-N 3.29Å; A137-Y139 PolarHBondContact O-N 3.34Å
140M83.7Confident92.3Very high78 Ų7879.4 Ų79.438%0.38438%0.382SS..Hα-helixtrans-81.4-51.6-179.2-78.2-64153.600111.6V129 R136 A137 T142 R145V129-M140 HydrophobicContact CG1-CB 3.81Å; V129-M140 HydrophobicContact CG1-CG 4.36Å; R136-M140 WeakPolarHBondContact O-CB 3.48Å; R136-M140 PolarHBondContact O-N 3.45Å; A137-M140 PolarHBondContact O-N 2.94Å; M140-T142 VanDerWaalsContact C-N 3.29Å; M140-T142 PolarHBondContact O-N 3.47Å; M140-R145 VanDerWaalsContact C-CZ 3.4Å; M140-R145 VanDerWaalsContact CA-NH1 3.3Å; M140-R145 PolarHBondContact O-NE 3.17Å; M140-R145 PolarHBondContact O-NH1 2.85Å; M140-R145 PolarHBondContact O-NH2 2.93Å; M140-R145 VanDerWaalsContact O-NH2 3.08Å; M140-R145 PolarHBondContact SD-NH1 3.45Å
141C91.3Very high92.5Very high27 Ų2781.8 Ų81.818%0.18239%0.391CS..SBendtrans-78.871.1-169.5-630000112.3P61 E126 A137P61-C141 HydrophobicContact CG-CB 4.41Å; P61-C141 WeakPolarHBondContact CG-O 3.47Å; E126-C141 WeakPolarHBondContact OE1-CA 3.46Å; E126-C141 WeakPolarHBondContact OE1-CB 3.24Å; E126-C141 PolarHBondContact OE1-SG 3.38Å; A137-C141 WeakPolarHBondContact O-CB 3.39Å; A137-C141 PolarHBondContact O-N 3.26Å
142T95.3Very high92.9Very high53 Ų5381.4 Ų81.433%0.32540%0.398SS..  trans-115.1146.6-178.270.10000112.6M140 K144 R145 A146M140-T142 VanDerWaalsContact C-N 3.29Å; M140-T142 PolarHBondContact O-N 3.47Å; T142-K144 PolarHBondContact O-N 2.89Å; T142-R145 PolarHBondContact O-N 3.01Å; T142-R145 VanDerWaalsContact OG1-CB 3.3Å; T142-R145 WeakPolarHBondContact OG1-CB 3.48Å; T142-R145 PolarHBondContact OG1-N 3.2Å; T142-A146 PolarHBondContact O-N 3.27Å
143I95.9Very high93.1Very high65 Ų6581.6 Ų81.633%0.33340%0.398SS..Hα-helixtrans-62.2-44.1179.3-67.6172.9000110.7H59 P61 R145 A146 I147H59-I143 HydrophobicContact CB-CD1 4.2Å; P61-I143 HydrophobicContact CG-CG1 4.32Å; I143-R145 VanDerWaalsContact C-N 3.28Å; I143-R145 PolarHBondContact O-N 3.5Å; I143-A146 PolarHBondContact O-N 3.07Å; I143-A146 VanDerWaalsContact O-N 3.12Å; I143-I147 HydrophobicContact CG2-CD1 3.77Å; I143-I147 HydrophobicContact CG2-CG1 4.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.31Å; I143-I147 PolarHBondContact O-N 2.7Å
144K96.5Very high93.4Very high173 Ų17380.7 Ų80.775%0.75239%0.394SS*.Hα-helixtrans-56.3-42.8178.6-68.1-175.5178.7-178.60111.7T142 K148T142-K144 PolarHBondContact O-N 2.89Å; K144-K148 WeakPolarHBondContact O-CG 3.39Å; K144-K148 PolarHBondContact O-N 3.11Å
145R96.2Very high93.9Very high61 Ų6182 Ų8223%0.2340%0.396CS..Hα-helixtrans-67.4-45.2176-171.6-168.372.7-177.1-1.7111.6E126 M140 T142 I143 I147 K148 I149E126-R145 IonicContact OE1-NH2 3.79Å; E126-R145 IonicContact OE2-CZ 3.8Å; E126-R145 IonicContact OE2-NH2 3.36Å; E126-R145 PolarHBondContact OE2-NH2 3.38Å; M140-R145 VanDerWaalsContact C-CZ 3.4Å; M140-R145 VanDerWaalsContact CA-NH1 3.3Å; M140-R145 PolarHBondContact O-NE 3.17Å; M140-R145 PolarHBondContact O-NH1 2.85Å; M140-R145 PolarHBondContact O-NH2 2.93Å; M140-R145 VanDerWaalsContact O-NH2 3.08Å; M140-R145 PolarHBondContact SD-NH1 3.45Å; T142-R145 PolarHBondContact O-N 3.01Å; T142-R145 VanDerWaalsContact OG1-CB 3.3Å; T142-R145 WeakPolarHBondContact OG1-CB 3.48Å; T142-R145 PolarHBondContact OG1-N 3.2Å; I143-R145 VanDerWaalsContact C-N 3.28Å; I143-R145 PolarHBondContact O-N 3.5Å; R145-I147 VanDerWaalsContact C-N 3.3Å; R145-I147 PolarHBondContact O-N 3.39Å; R145-K148 PolarHBondContact O-N 2.92Å; R145-I149 HydrophobicContact CG-CD1 3.87Å; R145-I149 HydrophobicContact CG-CG1 4.42Å; R145-I149 WeakPolarHBondContact O-CG1 3.15Å; R145-I149 PolarHBondContact O-N 2.93Å
146A97.7Very high94.5Very high0 Ų078.7 Ų78.70%038%0.377CS..Hα-helixtrans-57.7-43.917900000111.7P61 C64 Y65 T142 I143 K148 I149 I150P61-A146 HydrophobicContact CB-CB 3.96Å; C64-A146 HydrophobicContact CB-CB 4.09Å; Y65-A146 HydrophobicContact CE1-CB 4.45Å; Y65-A146 HydrophobicContact CE2-CB 3.86Å; T142-A146 PolarHBondContact O-N 3.27Å; I143-A146 PolarHBondContact O-N 3.07Å; I143-A146 VanDerWaalsContact O-N 3.12Å; A146-K148 PolarHBondContact O-N 3.32Å; A146-I149 PolarHBondContact O-N 2.72Å; A146-I150 WeakPolarHBondContact O-CB 3.45Å; A146-I150 WeakPolarHBondContact O-CD1 3.24Å; A146-I150 VanDerWaalsContact O-CG1 3.23Å; A146-I150 WeakPolarHBondContact O-CG1 3.32Å; A146-I150 PolarHBondContact O-N 3.26Å
147I98.2Very high95Very high88 Ų8871.8 Ų71.845%0.45135%0.351SS..Hα-helixtrans-60.3-47.2175.6-66.5169.7000111I143 R145 I149 I150 T151I143-I147 HydrophobicContact CG2-CD1 3.77Å; I143-I147 HydrophobicContact CG2-CG1 4.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.31Å; I143-I147 PolarHBondContact O-N 2.7Å; R145-I147 VanDerWaalsContact C-N 3.3Å; R145-I147 PolarHBondContact O-N 3.39Å; I147-I149 VanDerWaalsContact C-N 3.33Å; I147-I149 PolarHBondContact O-N 3.37Å; I147-I150 PolarHBondContact O-N 2.94Å; I147-T151 PolarHBondContact O-N 3.43Å; I147-T151 PolarHBondContact O-OG1 2.75Å; I147-T151 VanDerWaalsContact O-OG1 3.05Å
148K98.3Very high95.5Very high165 Ų16575.1 Ų75.172%0.71737%0.366SS*.Hα-helixtrans-58-43.5176.7-72.3-178.6178.6-170.10112.6K144 R145 A146 T151 G152K144-K148 WeakPolarHBondContact O-CG 3.39Å; K144-K148 PolarHBondContact O-N 3.11Å; R145-K148 PolarHBondContact O-N 2.92Å; A146-K148 PolarHBondContact O-N 3.32Å; K148-T151 PolarHBondContact O-N 2.9Å; K148-G152 PolarHBondContact O-N 3.28Å
149I98.4Very high96.2Very high65 Ų6571.1 Ų71.133%0.33335%0.354SS..Hα-helixtrans-64.2-45.3177.7-68.6168.2000110.3Y65 A122 R145 A146 I147 G152 I153Y65-I149 HydrophobicContact CE1-CB 4.21Å; Y65-I149 HydrophobicContact CE1-CG2 3.86Å; Y65-I149 VanDerWaalsContact OH-CD1 3.25Å; Y65-I149 WeakPolarHBondContact OH-CD1 3.3Å; A122-I149 HydrophobicContact CB-CG2 4.08Å; R145-I149 HydrophobicContact CG-CD1 3.87Å; R145-I149 HydrophobicContact CG-CG1 4.42Å; R145-I149 WeakPolarHBondContact O-CG1 3.15Å; R145-I149 PolarHBondContact O-N 2.93Å; A146-I149 PolarHBondContact O-N 2.72Å; I147-I149 VanDerWaalsContact C-N 3.33Å; I147-I149 PolarHBondContact O-N 3.37Å; I149-G152 PolarHBondContact O-N 3.32Å; I149-I153 HydrophobicContact CG2-CD1 4.01Å; I149-I153 HydrophobicContact CG2-CG1 4.47Å; I149-I153 WeakPolarHBondContact O-CG1 3.31Å; I149-I153 PolarHBondContact O-N 2.84Å
150I98.7Very high97Very high23 Ų2368 Ų6812%0.11834%0.342CS..Hα-helixtrans-59.5-50.4177-70161.8000110.3C64 Y65 A146 I147 G152 I153 W154C64-I150 VanDerWaalsContact C-CD1 3.41Å; C64-I150 HydrophobicContact CB-CD1 3.63Å; C64-I150 WeakPolarHBondContact O-CD1 3.14Å; Y65-I150 HydrophobicContact CD1-CD1 3.87Å; Y65-I150 HydrophobicContact CD1-CG1 3.61Å; Y65-I150 HydrophobicContact CE1-CD1 4.23Å; Y65-I150 HydrophobicContact CE1-CG1 3.79Å; Y65-I150 HydrophobicContact CG-CD1 4.45Å; A146-I150 WeakPolarHBondContact O-CB 3.45Å; A146-I150 WeakPolarHBondContact O-CD1 3.24Å; A146-I150 VanDerWaalsContact O-CG1 3.23Å; A146-I150 WeakPolarHBondContact O-CG1 3.32Å; A146-I150 PolarHBondContact O-N 3.26Å; I147-I150 PolarHBondContact O-N 2.94Å; I150-G152 VanDerWaalsContact C-N 3.25Å; I150-G152 PolarHBondContact O-N 3.43Å; I150-I153 WeakPolarHBondContact O-CB 3.27Å; I150-I153 PolarHBondContact O-N 2.84Å; I150-W154 PolarHBondContact O-N 3.36Å
151T98.7Very high97.6Very high74 Ų7464.3 Ų64.345%0.45432%0.324SS..Hα-helixtrans-54.8-43.3175.8-580000111.5I147 K148 W154 I155I147-T151 PolarHBondContact O-N 3.43Å; I147-T151 PolarHBondContact O-OG1 2.75Å; I147-T151 VanDerWaalsContact O-OG1 3.05Å; K148-T151 PolarHBondContact O-N 2.9Å; T151-W154 PolarHBondContact O-N 3.42Å; T151-I155 HydrophobicContact CG2-CD1 3.87Å; T151-I155 VanDerWaalsContact O-CG1 3.31Å; T151-I155 WeakPolarHBondContact O-CG1 3.44Å; T151-I155 PolarHBondContact O-N 3.34Å
152G98.7Very high98Very high36 Ų3666.7 Ų66.737%0.37133%0.333SS..Hα-helixtrans-61.7-42174.600000113.7K148 I149 I150 I155 F156K148-G152 PolarHBondContact O-N 3.28Å; I149-G152 PolarHBondContact O-N 3.32Å; I150-G152 VanDerWaalsContact C-N 3.25Å; I150-G152 PolarHBondContact O-N 3.43Å; G152-I155 PolarHBondContact O-N 3.05Å; G152-F156 VanDerWaalsContact O-CB 3.26Å; G152-F156 WeakPolarHBondContact O-CB 3.48Å; G152-F156 PolarHBondContact O-N 3.28Å
153I98.8Very high98Very high15 Ų1566.8 Ų66.88%0.07734%0.335CS..Hα-helixtrans-58.2-50.8175.3-71.8166.6000110.1L118 A122 I149 I150 I155 F156 T157L118-I153 HydrophobicContact CB-CD1 4.19Å; L118-I153 HydrophobicContact CB-CG1 4.11Å; L118-I153 HydrophobicContact CB-CG2 3.75Å; L118-I153 HydrophobicContact CD1-CG1 4.49Å; L118-I153 HydrophobicContact CD1-CG2 4.15Å; A122-I153 HydrophobicContact CB-CD1 3.9Å; I149-I153 HydrophobicContact CG2-CD1 4.01Å; I149-I153 HydrophobicContact CG2-CG1 4.47Å; I149-I153 WeakPolarHBondContact O-CG1 3.31Å; I149-I153 PolarHBondContact O-N 2.84Å; I150-I153 WeakPolarHBondContact O-CB 3.27Å; I150-I153 PolarHBondContact O-N 2.84Å; I153-I155 PolarHBondContact O-N 3.37Å; I153-F156 PolarHBondContact O-N 3.11Å; I153-T157 HydrophobicContact CG2-CG2 4.35Å; I153-T157 WeakPolarHBondContact O-CG2 3.33Å; I153-T157 PolarHBondContact O-N 3.46Å; I153-T157 PolarHBondContact O-OG1 2.85Å; I153-T157 VanDerWaalsContact O-OG1 3.09Å
154W98.8Very high98.1Very high72 Ų7263.9 Ų63.927%0.27332%0.32SS..Hα-helixtrans-65.1-39.6-178.3-76.494.1000112.6S68 A71 L75 L111 A115 I150 T151 T157 L158S68-W154 PolarHBondContact OG-NE1 2.85Å; A71-W154 HydrophobicContact CB-CZ2 4.17Å; L75-W154 HydrophobicContact CD2-CZ3 4.38Å; L111-W154 HydrophobicContact CD2-CE3 4.08Å; L111-W154 HydrophobicContact CD2-CZ3 3.72Å; A115-W154 HydrophobicContact CB-CH2 4.47Å; A115-W154 HydrophobicContact CB-CZ2 4.49Å; I150-W154 PolarHBondContact O-N 3.36Å; T151-W154 PolarHBondContact O-N 3.42Å; W154-T157 PolarHBondContact O-OG1 3.33Å; W154-L158 WeakPolarHBondContact O-CB 3.3Å; W154-L158 PolarHBondContact O-N 2.91Å
155I98.7Very high98.1Very high102 Ų10257.7 Ų57.752%0.52330%0.295SS..Hα-helixtrans-63.8-45.2174.7-69.4169.3000110.5T151 G152 I153 T159T151-I155 HydrophobicContact CG2-CD1 3.87Å; T151-I155 VanDerWaalsContact O-CG1 3.31Å; T151-I155 WeakPolarHBondContact O-CG1 3.44Å; T151-I155 PolarHBondContact O-N 3.34Å; G152-I155 PolarHBondContact O-N 3.05Å; I153-I155 PolarHBondContact O-N 3.37Å; I155-T159 WeakPolarHBondContact O-CB 3.29Å; I155-T159 PolarHBondContact O-N 3.3Å; I155-T159 PolarHBondContact O-OG1 2.93Å
156F98.6Very high98.1Very high98 Ų9861.7 Ų61.743%0.4331%0.314SS..Hα-helixtrans-64-49.7-179.8174.5-108.8000111.8L118 G152 I153 L158 T159 Y160 F203L118-F156 HydrophobicContact CD1-CD1 3.69Å; L118-F156 HydrophobicContact CD1-CE1 4.03Å; G152-F156 VanDerWaalsContact O-CB 3.26Å; G152-F156 WeakPolarHBondContact O-CB 3.48Å; G152-F156 PolarHBondContact O-N 3.28Å; I153-F156 PolarHBondContact O-N 3.11Å; F156-L158 PolarHBondContact O-N 3.18Å; F156-T159 PolarHBondContact O-N 3.33Å; F156-Y160 VanDerWaalsContact O-CB 3.27Å; F156-Y160 WeakPolarHBondContact O-CB 3.45Å; F156-Y160 PolarHBondContact O-N 3.26Å; F156-F203 HydrophobicContact CD1-CZ 4.47Å; F156-F203 AromaticContact CE1-CE1 3.93Å; F156-F203 HydrophobicContact CE1-CE1 3.93Å; F156-F203 AromaticContact CE1-CZ 3.68Å; F156-F203 HydrophobicContact CE1-CZ 3.68Å; F156-F203 HydrophobicContact CZ-CZ 4.36Å
157T98.6Very high98.1Very high0 Ų063 Ų630%032%0.321CS..Hα-helixtrans-68.9-34.4-17958.20000112.3D114 A115 L118 I153 W154 N161 F203D114-T157 HydrophobicContact CB-CG2 3.88Å; A115-T157 HydrophobicContact CB-CG2 4.36Å; L118-T157 HydrophobicContact CD1-CG2 3.86Å; I153-T157 HydrophobicContact CG2-CG2 4.35Å; I153-T157 WeakPolarHBondContact O-CG2 3.33Å; I153-T157 PolarHBondContact O-N 3.46Å; I153-T157 PolarHBondContact O-OG1 2.85Å; I153-T157 VanDerWaalsContact O-OG1 3.09Å; W154-T157 PolarHBondContact O-OG1 3.33Å; T157-N161 VanDerWaalsContact O-CB 3.28Å; T157-N161 WeakPolarHBondContact O-CB 3.39Å; T157-N161 PolarHBondContact O-N 3.38Å; T157-N161 PolarHBondContact O-ND2 2.92Å; T157-F203 HydrophobicContact CG2-CE1 4.13Å
158L98.4Very high98Very high85 Ų8558.9 Ų58.945%0.44530%0.299SS..Hα-helixtrans-60.9-53170.8179.664.8000110.5L111 W154 F156 Y160 N161 I162L111-L158 HydrophobicContact CD1-CB 4.05Å; L111-L158 HydrophobicContact CD1-CD1 3.55Å; L111-L158 HydrophobicContact CD1-CG 4.42Å; W154-L158 WeakPolarHBondContact O-CB 3.3Å; W154-L158 PolarHBondContact O-N 2.91Å; F156-L158 PolarHBondContact O-N 3.18Å; L158-Y160 VanDerWaalsContact C-N 3.33Å; L158-Y160 PolarHBondContact O-N 3.38Å; L158-N161 PolarHBondContact O-N 2.93Å; L158-N161 VanDerWaalsContact O-N 3.16Å; L158-I162 HydrophobicContact CG-CD1 4.48Å; L158-I162 WeakPolarHBondContact O-CG1 3.45Å; L158-I162 PolarHBondContact O-N 3.46Å
159T98.3Very high98Very high88 Ų8852.7 Ų52.754%0.5428%0.276SS..Hα-helixtrans-60.8-42.9-178.8-53.80000111.7I155 F156 N161I155-T159 WeakPolarHBondContact O-CB 3.29Å; I155-T159 PolarHBondContact O-N 3.3Å; I155-T159 PolarHBondContact O-OG1 2.93Å; F156-T159 PolarHBondContact O-N 3.33Å; T159-N161 VanDerWaalsContact C-N 3.3Å; T159-N161 PolarHBondContact O-N 2.84Å
160Y98.3Very high98Very high61 Ų6150.8 Ų50.824%0.23927%0.267CS..Hα-helixtrans-62.2-35.9177.7-179.1-90.7000112.5F156 L158 P163 D199 F203F156-Y160 VanDerWaalsContact O-CB 3.27Å; F156-Y160 WeakPolarHBondContact O-CB 3.45Å; F156-Y160 PolarHBondContact O-N 3.26Å; L158-Y160 VanDerWaalsContact C-N 3.33Å; L158-Y160 PolarHBondContact O-N 3.38Å; Y160-P163 VanDerWaalsContact O-CD 3.28Å; Y160-P163 WeakPolarHBondContact O-CD 3.37Å; Y160-D199 WeakPolarHBondContact OH-CA 3.27Å; Y160-D199 PolarHBondContact OH-N 2.99Å; Y160-F203 AromaticContact CD1-CE2 3.64Å; Y160-F203 HydrophobicContact CD1-CE2 3.64Å; Y160-F203 AromaticContact CD1-CZ 3.96Å; Y160-F203 HydrophobicContact CD1-CZ 3.96Å; Y160-F203 HydrophobicContact CD2-CE2 4.29Å; Y160-F203 HydrophobicContact CD2-CZ 4.46Å; Y160-F203 HydrophobicContact CE1-CD2 4.2Å; Y160-F203 AromaticContact CE1-CE2 3.39Å; Y160-F203 HydrophobicContact CE1-CE2 3.39Å; Y160-F203 HydrophobicContact CE1-CZ 4.19Å; Y160-F203 HydrophobicContact CE2-CE2 4.06Å; Y160-F203 HydrophobicContact CG-CE2 4.1Å; Y160-F203 HydrophobicContact CG-CZ 4.12Å; Y160-F203 AromaticContact CZ-CE2 3.62Å
161N98.3Very high97.8Very high0 Ų052.8 Ų52.80%028%0.28CS..Hα-helixtrans-95.7-10.3-174.6-75.6-67.5000115.3C107 Y110 L111 D114 T157 L158 T159 P163 W164C107-N161 PolarHBondContact SG-O 2.95Å; C107-N161 VanDerWaalsContact SG-O 3.38Å; Y110-N161 WeakPolarHBondContact CB-OD1 3.25Å; L111-N161 WeakPolarHBondContact CA-ND2 3.2Å; L111-N161 HydrophobicContact CB-CB 4.06Å; D114-N161 PolarHBondContact OD2-ND2 2.78Å; D114-N161 PolarHBondContact OD2-OD1 3.44Å; T157-N161 VanDerWaalsContact O-CB 3.28Å; T157-N161 WeakPolarHBondContact O-CB 3.39Å; T157-N161 PolarHBondContact O-N 3.38Å; T157-N161 PolarHBondContact O-ND2 2.92Å; L158-N161 PolarHBondContact O-N 2.93Å; L158-N161 VanDerWaalsContact O-N 3.16Å; T159-N161 VanDerWaalsContact C-N 3.3Å; T159-N161 PolarHBondContact O-N 2.84Å; N161-P163 VanDerWaalsContact C-N 3.29Å; N161-W164 WeakPolarHBondContact O-CB 3.25Å; N161-W164 VanDerWaalsContact O-CD1 3.27Å; N161-W164 PolarHBondContact O-N 2.9Å; N161-W164 PolarHBondContact OD1-NE1 2.86Å; N161-W164 VanDerWaalsContact OD1-NE1 3.09Å
162I97.6Very high97.5Very high76 Ų7655.2 Ų55.239%0.3928%0.284SS..THydrogen-bonded Turntrans-48.8-40.8172.9-81.9167.6000113.7L158 W164 I165 F166L158-I162 HydrophobicContact CG-CD1 4.48Å; L158-I162 WeakPolarHBondContact O-CG1 3.45Å; L158-I162 PolarHBondContact O-N 3.46Å; I162-W164 PolarHBondContact O-N 2.99Å; I162-I165 VanDerWaalsContact O-CB 3.31Å; I162-I165 WeakPolarHBondContact O-CB 3.45Å; I162-I165 WeakPolarHBondContact O-CG1 3.34Å; I162-I165 PolarHBondContact O-N 3.38Å; I162-F166 HydrophobicContact CG2-CE2 4.01Å
163P96.9Very high97.1Very high56 Ų5656.2 Ų56.236%0.36428%0.279SS..Hα-helixtrans-53.4-29.8178.6-29.537.3000114.2Y160 N161 I165 F166 M167Y160-P163 VanDerWaalsContact O-CD 3.28Å; Y160-P163 WeakPolarHBondContact O-CD 3.37Å; N161-P163 VanDerWaalsContact C-N 3.29Å; P163-I165 PolarHBondContact O-N 2.89Å; P163-F166 PolarHBondContact O-N 3.49Å; P163-M167 HydrophobicContact CB-SD 4.01Å; P163-M167 WeakPolarHBondContact O-CB 3.28Å; P163-M167 VanDerWaalsContact O-CG 3.23Å; P163-M167 WeakPolarHBondContact O-CG 3.32Å; P163-M167 PolarHBondContact O-N 3.49Å
164W97.1Very high96.7Very high4 Ų460.9 Ų60.92%0.01530%0.297CS..Hα-helixtrans-58.6-29.6177.1-68.5119.4000113.3V106 C107 Y110 N161 I162 F166 M167 S168 F185 Y192 I195 Y196V106-W164 HydrophobicContact CG1-CB 4.1Å; V106-W164 HydrophobicContact CG1-CD2 4.29Å; V106-W164 HydrophobicContact CG1-CE3 4.16Å; V106-W164 HydrophobicContact CG1-CG 4.29Å; C107-W164 HydrophobicContact CB-CB 4.14Å; Y110-W164 HydrophobicContact CD1-CZ2 4.17Å; Y110-W164 AromaticContact CD2-CD1 3.93Å; Y110-W164 AromaticContact CD2-CD2 3.98Å; Y110-W164 HydrophobicContact CD2-CD2 3.98Å; Y110-W164 AromaticContact CD2-CE2 3.66Å; Y110-W164 HydrophobicContact CD2-CG 4.17Å; Y110-W164 HydrophobicContact CD2-CZ2 4.12Å; Y110-W164 AromaticContact CD2-NE1 3.61Å; Y110-W164 AromaticContact CE1-CZ2 3.96Å; Y110-W164 HydrophobicContact CE1-CZ2 3.96Å; Y110-W164 HydrophobicContact CE2-CD2 4.14Å; Y110-W164 AromaticContact CE2-CE2 3.85Å; Y110-W164 HydrophobicContact CE2-CE3 4.41Å; Y110-W164 HydrophobicContact CE2-CH2 4.22Å; Y110-W164 AromaticContact CE2-CZ2 3.91Å; Y110-W164 HydrophobicContact CE2-CZ2 3.91Å; Y110-W164 HydrophobicContact CE2-CZ3 4.45Å; Y110-W164 AromaticContact CG-CE2 3.87Å; Y110-W164 HydrophobicContact CG-CZ2 4.28Å; Y110-W164 AromaticContact CG-NE1 3.48Å; Y110-W164 AromaticContact CZ-CZ2 3.83Å; N161-W164 WeakPolarHBondContact O-CB 3.25Å; N161-W164 VanDerWaalsContact O-CD1 3.27Å; N161-W164 PolarHBondContact O-N 2.9Å; N161-W164 PolarHBondContact OD1-NE1 2.86Å; N161-W164 VanDerWaalsContact OD1-NE1 3.09Å; I162-W164 PolarHBondContact O-N 2.99Å; W164-F166 PolarHBondContact O-N 3.11Å; W164-M167 PolarHBondContact O-N 3.37Å; W164-S168 WeakPolarHBondContact O-CB 3.46Å; W164-S168 PolarHBondContact O-N 2.95Å; W164-S168 VanDerWaalsContact O-N 3.1Å; W164-S168 PolarHBondContact O-OG 3.38Å; W164-F185 HydrophobicContact CE3-CD1 4.27Å; W164-F185 AromaticContact CE3-CE1 3.77Å; W164-F185 HydrophobicContact CE3-CE1 3.77Å; W164-F185 HydrophobicContact CH2-CE1 4.38Å; W164-F185 AromaticContact CZ3-CD1 3.9Å; W164-F185 HydrophobicContact CZ3-CD1 3.9Å; W164-F185 AromaticContact CZ3-CE1 3.43Å; W164-F185 HydrophobicContact CZ3-CE1 3.43Å; W164-F185 VanDerWaalsContact CZ3-CE1 3.43Å; W164-F185 HydrophobicContact CZ3-CZ 4.2Å; W164-Y192 HydrophobicContact CH2-CD1 4.06Å; W164-Y192 AromaticContact CZ3-CD1 3.7Å; W164-Y192 HydrophobicContact CZ3-CD1 3.7Å; W164-Y192 AromaticContact CZ3-CE1 3.83Å; W164-Y192 HydrophobicContact CZ3-CE1 3.83Å; W164-I195 HydrophobicContact CH2-CG2 4.03Å; W164-I195 HydrophobicContact CZ2-CG2 3.69Å; W164-Y196 HydrophobicContact CH2-CD1 4.37Å; W164-Y196 AromaticContact CH2-CE1 3.67Å; W164-Y196 HydrophobicContact CH2-CE1 3.67Å; W164-Y196 HydrophobicContact CZ2-CE1 4.34Å
165I97.6Very high96.1Very high42 Ų4258 Ų5822%0.21529%0.287CS..Hα-helixtrans-59.3-37.8174.5-61.4-65.4000111.2Q103 C107 I162 P163Q103-I165 HydrophobicContact CB-CD1 4.28Å; Q103-I165 HydrophobicContact CB-CG2 4.4Å; Q103-I165 VanDerWaalsContact CG-O 3.24Å; Q103-I165 WeakPolarHBondContact CG-O 3.34Å; Q103-I165 PolarHBondContact NE2-O 3.24Å; Q103-I165 VanDerWaalsContact NE2-O 3.15Å; Q103-I165 WeakPolarHBondContact O-CD1 3.41Å; C107-I165 HydrophobicContact CB-CD1 3.53Å; C107-I165 HydrophobicContact CB-CG1 3.97Å; I162-I165 VanDerWaalsContact O-CB 3.31Å; I162-I165 WeakPolarHBondContact O-CB 3.45Å; I162-I165 WeakPolarHBondContact O-CG1 3.34Å; I162-I165 PolarHBondContact O-N 3.38Å; P163-I165 PolarHBondContact O-N 2.89Å
166F96.1Very high95.4Very high145 Ų14560 Ų6064%0.63629%0.294SS*.Hα-helixtrans-91.7-21.3-178.3-55.2-72.7000113.2I162 P163 W164I162-F166 HydrophobicContact CG2-CE2 4.01Å; P163-F166 PolarHBondContact O-N 3.49Å; W164-F166 PolarHBondContact O-N 3.11Å
167M96.3Very high94.6Very high29 Ų2964.1 Ų64.114%0.14331%0.308CS..Hα-helixtrans-97.1-3.3-175.3-61.9178.27600114.1P163 W164 K186 F187 Y192 I195P163-M167 HydrophobicContact CB-SD 4.01Å; P163-M167 WeakPolarHBondContact O-CB 3.28Å; P163-M167 VanDerWaalsContact O-CG 3.23Å; P163-M167 WeakPolarHBondContact O-CG 3.32Å; P163-M167 PolarHBondContact O-N 3.49Å; W164-M167 PolarHBondContact O-N 3.37Å; M167-K186 PolarHBondContact O-N 2.86Å; M167-F187 HydrophobicContact CG-CE2 4.44Å; M167-Y192 HydrophobicContact CB-CE1 3.86Å; M167-Y192 HydrophobicContact CE-CD1 3.51Å; M167-Y192 HydrophobicContact CE-CE1 3.22Å; M167-Y192 HydrophobicContact CE-CG 4.45Å; M167-Y192 PolarHBondContact O-OH 2.92Å; M167-Y192 HydrophobicContact SD-CE1 4.35Å; M167-I195 HydrophobicContact CE-CD1 3.27Å; M167-I195 HydrophobicContact SD-CD1 3.68Å
168S97.2Very high94.1Very high0 Ų066 Ų660%033%0.327CS..EExtended strand (participates in β ladder)trans-116.8152.517359.30000111.1Q103 W164 T184Q103-S168 WeakPolarHBondContact CA-OG 3.48Å; Q103-S168 WeakPolarHBondContact CG-O 3.46Å; Q103-S168 PolarHBondContact NE2-O 3.2Å; Q103-S168 VanDerWaalsContact NE2-O 3.16Å; W164-S168 WeakPolarHBondContact O-CB 3.46Å; W164-S168 PolarHBondContact O-N 2.95Å; W164-S168 VanDerWaalsContact O-N 3.1Å; W164-S168 PolarHBondContact O-OG 3.38Å; S168-T184 WeakPolarHBondContact CA-O 3.26Å
169T97.9Very high93.7Very high36 Ų3665.7 Ų65.722%0.22133%0.333CS..EExtended strand (participates in β ladder)trans-161.4165.4-175.4-165.60000111.3N99 C102 V171 T184 K186N99-T169 VanDerWaalsContact OD1-CA 3.27Å; N99-T169 WeakPolarHBondContact OD1-CA 3.11Å; N99-T169 PolarHBondContact OD1-OG1 3.33Å; N99-T169 VanDerWaalsContact OD1-OG1 3.12Å; C102-T169 PolarHBondContact SG-O 3.37Å; T169-V171 HydrophobicContact CG2-CG2 4.2Å; T169-T184 PolarHBondContact N-O 2.94Å; T169-T184 PolarHBondContact O-N 3.16Å; T169-K186 HydrophobicContact CG2-CB 4.24Å
170T97.4Very high93.3Very high24 Ų2462.4 Ų62.415%0.14731%0.311CS..EExtended strand (participates in β ladder)trans-92.4141164.958.30000112W95 N99 C102 E181 T182W95-T170 VanDerWaalsContact CD1-CG2 3.48Å; W95-T170 HydrophobicContact CG-CG2 4.31Å; N99-T170 HydrophobicContact CB-CG2 4.42Å; N99-T170 PolarHBondContact OD1-N 3.36Å; C102-T170 HydrophobicContact CB-CG2 3.81Å; T170-E181 WeakPolarHBondContact CB-OE2 3.39Å; T170-E181 PolarHBondContact OG1-OE2 3.3Å; T170-T182 CarbonylContact C-O 3.54Å; T170-T182 WeakPolarHBondContact CA-O 3.47Å
171V94.9Very high93.1Very high65 Ų6562.2 Ų62.239%0.39431%0.312SS..EExtended strand (participates in β ladder)trans-122.2128.1174.7177.90000109T169 E181 T182 T184T169-V171 HydrophobicContact CG2-CG2 4.2Å; V171-E181 WeakPolarHBondContact O-CA 3.47Å; V171-T182 PolarHBondContact N-O 3.36Å; V171-T182 PolarHBondContact O-N 3.49Å; V171-T182 PolarHBondContact O-OG1 2.98Å; V171-T184 HydrophobicContact CB-CG2 4.21Å; V171-T184 HydrophobicContact CG2-CG2 3.58Å
172K93.4Very high92.9Very high126 Ų12662.5 Ų62.555%0.54831%0.314SS..EExtended strand (participates in β ladder)trans-71.9126.6172.5-70.6-175.7-179.6-175.40110F180 E181K172-F180 CarbonylContact C-O 3.52Å; K172-F180 WeakPolarHBondContact CA-O 3.08Å; K172-E181 WeakPolarHBondContact CE-OE1 3.48Å; K172-E181 HydrophobicContact CG-CG 3.85Å
173Q89.9Confident92.8Very high56 Ų5660.8 Ų60.826%0.26231%0.308SS..EExtended strand (participates in β ladder)trans-112.9148.7172.4-65.2-167.7-2100109.1I17 S179 F180 T182I17-Q173 HydrophobicContact CD1-CB 4.41Å; I17-Q173 HydrophobicContact CD1-CG 4.41Å; Q173-S179 CarbonylContact O-C 3.57Å; Q173-S179 VanDerWaalsContact O-CA 3.24Å; Q173-S179 WeakPolarHBondContact O-CA 3.21Å; Q173-F180 HydrophobicContact CB-CD1 4.28Å; Q173-F180 HydrophobicContact CB-CD2 4.35Å; Q173-F180 HydrophobicContact CB-CE1 3.84Å; Q173-F180 HydrophobicContact CB-CE2 3.95Å; Q173-F180 HydrophobicContact CB-CZ 3.67Å; Q173-F180 HydrophobicContact CG-CE2 4.42Å; Q173-F180 HydrophobicContact CG-CZ 4.42Å; Q173-F180 PolarHBondContact N-O 3.09Å; Q173-F180 PolarHBondContact O-N 2.69Å; Q173-T182 VanDerWaalsContact CD-CG2 3.45Å; Q173-T182 HydrophobicContact CG-CG2 4.01Å; Q173-T182 VanDerWaalsContact OE1-CG2 3.32Å
174Y90.4Very high92.7Very high114 Ų11460.8 Ų60.845%0.44731%0.307SS..EExtended strand (participates in β ladder)trans-112.7126.4-178.9-62.4-87.8000109I14 I17I14-Y174 HydrophobicContact CG2-CD2 4.15Å; I14-Y174 HydrophobicContact CG2-CG 3.94Å; I17-Y174 PolarHBondContact N-O 3.47Å
175S85.7Confident92.6Very high10 Ų1063.9 Ų63.97%0.0732%0.321CS..EExtended strand (participates in β ladder)trans-117.8168.717469.80000109.8I17 Y177 G178I17-S175 WeakPolarHBondContact O-CA 3.37Å; I17-S175 VanDerWaalsContact O-CB 3.26Å; I17-S175 WeakPolarHBondContact O-CB 3.34Å; S175-Y177 PolarHBondContact O-N 2.97Å; S175-Y177 VanDerWaalsContact O-N 3.14Å; S175-Y177 PolarHBondContact OG-N 3.49Å; S175-G178 PolarHBondContact N-O 3.05Å; S175-G178 PolarHBondContact O-N 2.82Å; S175-G178 VanDerWaalsContact O-N 3.09Å; S175-G178 PolarHBondContact OG-O 3.15Å
176E83.7Confident92.5Very high144 Ų14468 Ų6867%0.67334%0.337SS*.THydrogen-bonded Turntrans-56.3-26172.2-65.6178.8175.300112.8L16L16-E176 HydrophobicContact CB-CG 4.31Å; L16-E176 HydrophobicContact CD1-CG 4.24Å
177Y83.7Confident92.3Very high186 Ų18666.3 Ų66.373%0.72933%0.33SS*.THydrogen-bonded Turntrans-95.99.4-179.3-57.3-75.6000114L19 S175L19-Y177 HydrophobicContact CB-CD2 3.98Å; L19-Y177 HydrophobicContact CB-CE2 4.3Å; L19-Y177 HydrophobicContact CD2-CD2 4.18Å; S175-Y177 PolarHBondContact O-N 2.97Å; S175-Y177 VanDerWaalsContact O-N 3.14Å; S175-Y177 PolarHBondContact OG-N 3.49Å
178G87.1Confident92Very high38 Ų3873 Ų7339%0.39236%0.358SS..EExtended strand (participates in β ladder)trans115.4-169.4-178.100000113.3S175S175-G178 PolarHBondContact N-O 3.05Å; S175-G178 PolarHBondContact O-N 2.82Å; S175-G178 VanDerWaalsContact O-N 3.09Å; S175-G178 PolarHBondContact OG-O 3.15Å
179S89.2Confident91.6Very high80 Ų8077.6 Ų77.656%0.55938%0.375SS*.EExtended strand (participates in β ladder)trans-93.9144.2-178.164.80000112.2Q173Q173-S179 CarbonylContact O-C 3.57Å; Q173-S179 VanDerWaalsContact O-CA 3.24Å; Q173-S179 WeakPolarHBondContact O-CA 3.21Å
180F90.7Very high91.2Very high19 Ų1980.8 Ų80.88%0.08340%0.395CS..EExtended strand (participates in β ladder)trans-135.9161.5170.164.7-82.9000112.1H94 K172 Q173 T182H94-F180 VanDerWaalsContact CE1-CB 3.45Å; H94-F180 WeakPolarHBondContact CE1-CB 3.28Å; H94-F180 WeakPolarHBondContact ND1-CB 3.24Å; H94-F180 AromaticContact ND1-CD2 3.73Å; H94-F180 AromaticContact ND1-CG 3.78Å; K172-F180 CarbonylContact C-O 3.52Å; K172-F180 WeakPolarHBondContact CA-O 3.08Å; Q173-F180 HydrophobicContact CB-CD1 4.28Å; Q173-F180 HydrophobicContact CB-CD2 4.35Å; Q173-F180 HydrophobicContact CB-CE1 3.84Å; Q173-F180 HydrophobicContact CB-CE2 3.95Å; Q173-F180 HydrophobicContact CB-CZ 3.67Å; Q173-F180 HydrophobicContact CG-CE2 4.42Å; Q173-F180 HydrophobicContact CG-CZ 4.42Å; Q173-F180 PolarHBondContact N-O 3.09Å; Q173-F180 PolarHBondContact O-N 2.69Å; F180-T182 HydrophobicContact CD2-CG2 3.99Å; F180-T182 HydrophobicContact CE2-CG2 3.58Å
181E93.8Very high90.9Very high56 Ų5682.3 Ų82.326%0.26241%0.41SS..EExtended strand (participates in β ladder)trans-101147.6175.9-70.2-169.1179.200111.7W95 T170 V171 K172W95-E181 PolarHBondContact N-O 3.08Å; T170-E181 WeakPolarHBondContact CB-OE2 3.39Å; T170-E181 PolarHBondContact OG1-OE2 3.3Å; V171-E181 WeakPolarHBondContact O-CA 3.47Å; K172-E181 WeakPolarHBondContact CE-OE1 3.48Å; K172-E181 HydrophobicContact CG-CG 3.85Å
182T94Very high90.9Very high7 Ų779.2 Ų79.24%0.04339%0.391CS..EExtended strand (participates in β ladder)trans-121136.7171.458.90000109.4N93 T170 V171 Q173 F180N93-T182 HydrophobicContact CB-CG2 4.13Å; N93-T182 WeakPolarHBondContact O-CA 3.28Å; N93-T182 WeakPolarHBondContact O-CG2 3.21Å; T170-T182 CarbonylContact C-O 3.54Å; T170-T182 WeakPolarHBondContact CA-O 3.47Å; V171-T182 PolarHBondContact N-O 3.36Å; V171-T182 PolarHBondContact O-N 3.49Å; V171-T182 PolarHBondContact O-OG1 2.98Å; Q173-T182 VanDerWaalsContact CD-CG2 3.45Å; Q173-T182 HydrophobicContact CG-CG2 4.01Å; Q173-T182 VanDerWaalsContact OE1-CG2 3.32Å; F180-T182 HydrophobicContact CD2-CG2 3.99Å; F180-T182 HydrophobicContact CE2-CG2 3.58Å
183C96.3Very high90.9Very high39 Ų3976.7 Ų76.726%0.26438%0.38SS..EExtended strand (participates in β ladder)trans-85.7119.3171.5176.70000108.8W95 C102W95-C183 HydrophobicContact CB-CB 3.93Å; W95-C183 HydrophobicContact CD2-CB 3.53Å; W95-C183 HydrophobicContact CE3-CB 3.72Å; W95-C183 HydrophobicContact CG-CB 3.62Å; W95-C183 HydrophobicContact CZ3-CB 4.43Å; C102-C183 VanDerWaalsContact CA-SG 3.54Å; C102-C183 HydrophobicContact CB-CB 3.78Å; C102-C183 WeakPolarHBondContact CB-SG 3.34Å; C102-C183 WeakPolarHBondContact SG-CA 3.28Å; C102-C183 WeakPolarHBondContact SG-CB 3.32Å; C102-C183 CovalentContact SG-SG 2.03Å; C102-C183 PolarHBondContact SG-SG 2.71Å
184T95Very high91.1Very high57 Ų5777.2 Ų77.235%0.3539%0.394SS..EExtended strand (participates in β ladder)trans-147176.8-171.7-1680000111.8S168 T169 V171S168-T184 WeakPolarHBondContact CA-O 3.26Å; T169-T184 PolarHBondContact N-O 2.94Å; T169-T184 PolarHBondContact O-N 3.16Å; V171-T184 HydrophobicContact CB-CG2 4.21Å; V171-T184 HydrophobicContact CG2-CG2 3.58Å
185F94.9Very high91.3Very high69 Ų6974 Ų7430%0.30338%0.384SS..EExtended strand (participates in β ladder)trans-86.2139.3174.7-64.5-60.5000110.6V106 W164 F187 Y192 Y196V106-F185 HydrophobicContact CG1-CE1 4.02Å; W164-F185 HydrophobicContact CE3-CD1 4.27Å; W164-F185 AromaticContact CE3-CE1 3.77Å; W164-F185 HydrophobicContact CE3-CE1 3.77Å; W164-F185 HydrophobicContact CH2-CE1 4.38Å; W164-F185 AromaticContact CZ3-CD1 3.9Å; W164-F185 HydrophobicContact CZ3-CD1 3.9Å; W164-F185 AromaticContact CZ3-CE1 3.43Å; W164-F185 HydrophobicContact CZ3-CE1 3.43Å; W164-F185 VanDerWaalsContact CZ3-CE1 3.43Å; W164-F185 HydrophobicContact CZ3-CZ 4.2Å; F185-F187 PolarHBondContact O-N 3.07Å; F185-Y192 HydrophobicContact CB-CE1 4.21Å; F185-Y192 HydrophobicContact CB-CE2 3.85Å; F185-Y192 HydrophobicContact CD1-CE1 4.02Å; F185-Y192 HydrophobicContact CG-CE1 4.29Å; F185-Y196 VanDerWaalsContact CE2-OH 3.3Å; F185-Y196 WeakPolarHBondContact CE2-OH 3.32Å
186K94.6Very high91.8Very high129 Ų12974.1 Ų74.156%0.56138%0.383SS*.SBendtrans-68-33.3-174.5-174.8172.6-179.7175.50113.7M167 T169 Y192M167-K186 PolarHBondContact O-N 2.86Å; T169-K186 HydrophobicContact CG2-CB 4.24Å; K186-Y192 PolarHBondContact N-OH 3.42Å; K186-Y192 VanDerWaalsContact N-OH 3.09Å
187F92.8Very high92.5Very high108 Ų10869 Ų6947%0.47436%0.36SS..SBendtrans-109.2172.2-173.8-52.8-68.2000112M167 F185 A191 Y192M167-F187 HydrophobicContact CG-CE2 4.44Å; F185-F187 PolarHBondContact O-N 3.07Å; F187-A191 HydrophobicContact CB-CB 3.89Å; F187-Y192 HydrophobicContact CB-CE2 3.66Å; F187-Y192 WeakPolarHBondContact CD2-OH 3.28Å; F187-Y192 PolarHBondContact N-OH 2.81Å; F187-Y192 WeakPolarHBondContact O-CE2 3.25Å
188K90.3Very high93.1Very high170 Ų17063.3 Ų63.374%0.73935%0.346SS*.  trans-65.7149.2170.8-66.1-175.8-179.6-179.40110.1T190 A191 Y192K188-T190 PolarHBondContact O-N 2.86Å; K188-A191 WeakPolarHBondContact O-CB 3.42Å; K188-A191 PolarHBondContact O-N 3.46Å; K188-Y192 WeakPolarHBondContact O-CD2 3.34Å
189R88.7Confident93.6Very high96 Ų9661.5 Ų61.536%0.36233%0.328SS..Hα-helixtrans-52.4-31.1-179.2-170.8168.5-171.6137.83.3114.1A191 Y192 K193 V299 N302R189-A191 PolarHBondContact O-N 3.46Å; R189-Y192 PolarHBondContact O-N 3.32Å; R189-K193 PolarHBondContact O-N 2.91Å; R189-V299 PolarHBondContact NH2-O 3.35Å; R189-V299 VanDerWaalsContact NH2-O 3.12Å; R189-N302 VanDerWaalsContact CD-O 3.26Å; R189-N302 WeakPolarHBondContact CD-O 3.46Å; R189-N302 PolarHBondContact NE-O 3.02Å; R189-N302 VanDerWaalsContact NH1-CB 3.32Å
190T88.9Confident94Very high104 Ų10459.1 Ų59.164%0.63831%0.308SS*.Hα-helixtrans-57-35175.849.10000113K188 Y192 K193K188-T190 PolarHBondContact O-N 2.86Å; T190-Y192 VanDerWaalsContact C-N 3.27Å; T190-Y192 PolarHBondContact O-N 2.79Å; T190-K193 WeakPolarHBondContact O-CB 3.49Å; T190-K193 PolarHBondContact O-N 2.91Å
191A91.5Very high94.4Very high55 Ų5562.3 Ų62.346%0.45533%0.325SS..Hα-helixtrans-68.3-25.7176.600000113F187 K188 R189F187-A191 HydrophobicContact CB-CB 3.89Å; K188-A191 WeakPolarHBondContact O-CB 3.42Å; K188-A191 PolarHBondContact O-N 3.46Å; R189-A191 PolarHBondContact O-N 3.46Å
192Y94Very high94.6Very high1 Ų161.9 Ų61.90%0.00433%0.326CS..Hα-helixtrans-92.7-9.8180-59.7-90.7000113.2W164 M167 F185 K186 F187 K188 R189 T190 A194 I195 Y196W164-Y192 HydrophobicContact CH2-CD1 4.06Å; W164-Y192 AromaticContact CZ3-CD1 3.7Å; W164-Y192 HydrophobicContact CZ3-CD1 3.7Å; W164-Y192 AromaticContact CZ3-CE1 3.83Å; W164-Y192 HydrophobicContact CZ3-CE1 3.83Å; M167-Y192 HydrophobicContact CB-CE1 3.86Å; M167-Y192 HydrophobicContact CE-CD1 3.51Å; M167-Y192 HydrophobicContact CE-CE1 3.22Å; M167-Y192 HydrophobicContact CE-CG 4.45Å; M167-Y192 PolarHBondContact O-OH 2.92Å; M167-Y192 HydrophobicContact SD-CE1 4.35Å; F185-Y192 HydrophobicContact CB-CE1 4.21Å; F185-Y192 HydrophobicContact CB-CE2 3.85Å; F185-Y192 HydrophobicContact CD1-CE1 4.02Å; F185-Y192 HydrophobicContact CG-CE1 4.29Å; K186-Y192 PolarHBondContact N-OH 3.42Å; K186-Y192 VanDerWaalsContact N-OH 3.09Å; F187-Y192 HydrophobicContact CB-CE2 3.66Å; F187-Y192 WeakPolarHBondContact CD2-OH 3.28Å; F187-Y192 PolarHBondContact N-OH 2.81Å; F187-Y192 WeakPolarHBondContact O-CE2 3.25Å; K188-Y192 WeakPolarHBondContact O-CD2 3.34Å; R189-Y192 PolarHBondContact O-N 3.32Å; T190-Y192 VanDerWaalsContact C-N 3.27Å; T190-Y192 PolarHBondContact O-N 2.79Å; Y192-A194 VanDerWaalsContact C-N 3.32Å; Y192-A194 PolarHBondContact O-N 3.42Å; Y192-I195 PolarHBondContact O-N 3.44Å; Y192-I195 VanDerWaalsContact O-N 3.08Å; Y192-Y196 VanDerWaalsContact CB-CE2 3.46Å; Y192-Y196 HydrophobicContact CG-CE2 4.42Å; Y192-Y196 WeakPolarHBondContact O-CD2 3.42Å; Y192-Y196 PolarHBondContact O-N 3.32Å
193K93.9Very high94.8Very high72 Ų7261.6 Ų61.631%0.31333%0.325SS..Hα-helixtrans-53.3-49.5-176.2179-179.9-74.6-175.70111.4R189 T190 I195 Y196 M197 S303 F304R189-K193 PolarHBondContact O-N 2.91Å; T190-K193 WeakPolarHBondContact O-CB 3.49Å; T190-K193 PolarHBondContact O-N 2.91Å; K193-I195 VanDerWaalsContact C-N 3.33Å; K193-I195 PolarHBondContact O-N 2.87Å; K193-Y196 PolarHBondContact O-N 2.83Å; K193-M197 VanDerWaalsContact O-CG 3.31Å; K193-M197 WeakPolarHBondContact O-CG 3.48Å; K193-M197 PolarHBondContact O-N 2.79Å; K193-S303 WeakPolarHBondContact CE-O 3.46Å; K193-S303 PolarHBondContact NZ-O 2.93Å; K193-F304 HydrophobicContact CD-CD1 4.5Å; K193-F304 HydrophobicContact CD-CE1 4.03Å
194A94.5Very high94.8Very high68 Ų6860.7 Ų60.756%0.56232%0.316SS*.Hα-helixtrans-60.2-43.7179.200000111.8Y192 M197 C198Y192-A194 VanDerWaalsContact C-N 3.32Å; Y192-A194 PolarHBondContact O-N 3.42Å; A194-M197 PolarHBondContact O-N 2.75Å; A194-C198 WeakPolarHBondContact O-CB 3.4Å; A194-C198 PolarHBondContact O-N 2.95Å; A194-C198 PolarHBondContact O-SG 3.04Å
195I94.7Very high95Very high45 Ų4560.5 Ų60.523%0.23132%0.315CS..Hα-helixtrans-62.2-48.2178.7-59.9173.2000110.4W164 M167 Y192 K193 M197 C198 D199W164-I195 HydrophobicContact CH2-CG2 4.03Å; W164-I195 HydrophobicContact CZ2-CG2 3.69Å; M167-I195 HydrophobicContact CE-CD1 3.27Å; M167-I195 HydrophobicContact SD-CD1 3.68Å; Y192-I195 PolarHBondContact O-N 3.44Å; Y192-I195 VanDerWaalsContact O-N 3.08Å; K193-I195 VanDerWaalsContact C-N 3.33Å; K193-I195 PolarHBondContact O-N 2.87Å; I195-M197 VanDerWaalsContact C-N 3.3Å; I195-M197 PolarHBondContact O-N 2.65Å; I195-C198 PolarHBondContact O-N 3.5Å; I195-D199 WeakPolarHBondContact O-CB 3.18Å; I195-D199 PolarHBondContact O-N 3.37Å
196Y96.1Very high95.1Very high14 Ų1461.1 Ų61.16%0.05532%0.321CS..Hα-helixtrans-62.4-35.4178.5-65.4-39.4000113.2W164 F185 Y192 K193 L200 V299W164-Y196 HydrophobicContact CH2-CD1 4.37Å; W164-Y196 AromaticContact CH2-CE1 3.67Å; W164-Y196 HydrophobicContact CH2-CE1 3.67Å; W164-Y196 HydrophobicContact CZ2-CE1 4.34Å; F185-Y196 VanDerWaalsContact CE2-OH 3.3Å; F185-Y196 WeakPolarHBondContact CE2-OH 3.32Å; Y192-Y196 VanDerWaalsContact CB-CE2 3.46Å; Y192-Y196 HydrophobicContact CG-CE2 4.42Å; Y192-Y196 WeakPolarHBondContact O-CD2 3.42Å; Y192-Y196 PolarHBondContact O-N 3.32Å; K193-Y196 PolarHBondContact O-N 2.83Å; Y196-L200 WeakPolarHBondContact O-CB 3.3Å; Y196-L200 PolarHBondContact O-N 3.48Å; Y196-V299 HydrophobicContact CD1-CG1 4.06Å; Y196-V299 HydrophobicContact CD2-CG1 4.19Å; Y196-V299 HydrophobicContact CG-CG1 3.83Å
197M97.2Very high95.2Very high37 Ų3755.2 Ų55.218%0.18230%0.295CS..Hα-helixtrans-73.1-43.1176.4-63.7-53.7132.800111.9K193 A194 I195 D199 L200 I201 V300 F304K193-M197 VanDerWaalsContact O-CG 3.31Å; K193-M197 WeakPolarHBondContact O-CG 3.48Å; K193-M197 PolarHBondContact O-N 2.79Å; A194-M197 PolarHBondContact O-N 2.75Å; I195-M197 VanDerWaalsContact C-N 3.3Å; I195-M197 PolarHBondContact O-N 2.65Å; M197-D199 VanDerWaalsContact C-N 3.29Å; M197-D199 PolarHBondContact O-N 3.39Å; M197-L200 PolarHBondContact O-N 3.34Å; M197-I201 VanDerWaalsContact O-CG1 3.28Å; M197-I201 WeakPolarHBondContact O-CG1 3.33Å; M197-I201 PolarHBondContact O-N 3.31Å; M197-V300 HydrophobicContact CE-CG1 4.48Å; M197-V300 HydrophobicContact CE-CG2 4.24Å; M197-F304 HydrophobicContact CE-CD2 4.15Å; M197-F304 HydrophobicContact CE-CE2 3.29Å; M197-F304 HydrophobicContact CE-CZ 3.82Å; M197-F304 HydrophobicContact CG-CZ 4.36Å; M197-F304 HydrophobicContact SD-CE2 3.7Å; M197-F304 HydrophobicContact SD-CZ 3.91Å
198C97.3Very high95.3Very high65 Ų6551.9 Ų51.944%0.43928%0.282SS..Hα-helixtrans-58.7-45173-72.10000110.8A194 I195 I201 V202A194-C198 WeakPolarHBondContact O-CB 3.4Å; A194-C198 PolarHBondContact O-N 2.95Å; A194-C198 PolarHBondContact O-SG 3.04Å; I195-C198 PolarHBondContact O-N 3.5Å; C198-I201 PolarHBondContact O-N 3.47Å; C198-V202 WeakPolarHBondContact O-CB 3.29Å; C198-V202 VanDerWaalsContact O-CG2 3.3Å; C198-V202 WeakPolarHBondContact O-CG2 3.47Å; C198-V202 PolarHBondContact O-N 3.01Å
199D97.4Very high95.6Very high0 Ų048.6 Ų48.60%027%0.273CS..Hα-helixtrans-61.3-46.6178.7-164.678.2000112.1Y160 I195 M197 I201 V202 F203 R296Y160-D199 WeakPolarHBondContact OH-CA 3.27Å; Y160-D199 PolarHBondContact OH-N 2.99Å; I195-D199 WeakPolarHBondContact O-CB 3.18Å; I195-D199 PolarHBondContact O-N 3.37Å; M197-D199 VanDerWaalsContact C-N 3.29Å; M197-D199 PolarHBondContact O-N 3.39Å; D199-I201 VanDerWaalsContact C-N 3.31Å; D199-I201 PolarHBondContact O-N 3.46Å; D199-V202 PolarHBondContact O-N 3.24Å; D199-F203 WeakPolarHBondContact O-CB 3.13Å; D199-F203 PolarHBondContact O-N 3.12Å; D199-F203 WeakPolarHBondContact OD1-CD2 3.45Å; D199-R296 IonicContact OD2-CZ 2.9Å; D199-R296 IonicContact OD2-NH1 2.62Å; D199-R296 PolarHBondContact OD2-NH1 2.9Å; D199-R296 IonicContact OD2-NH2 3.41Å; D199-R296 PolarHBondContact OD2-NH2 3.17Å
200L97.9Very high95.9Very high30 Ų3047.5 Ų47.516%0.15727%0.273CS..Hα-helixtrans-57-44.3173.8-18074.5000111.7Y196 M197 Y204 V205 R296 V300Y196-L200 WeakPolarHBondContact O-CB 3.3Å; Y196-L200 PolarHBondContact O-N 3.48Å; M197-L200 PolarHBondContact O-N 3.34Å; L200-Y204 HydrophobicContact CD1-CD1 3.76Å; L200-Y204 HydrophobicContact CD1-CG 4.37Å; L200-Y204 WeakPolarHBondContact O-CA 3.41Å; L200-Y204 VanDerWaalsContact O-CB 3.31Å; L200-Y204 WeakPolarHBondContact O-CB 3.42Å; L200-Y204 PolarHBondContact O-N 2.91Å; L200-V205 HydrophobicContact CG-CG2 4.16Å; L200-V205 PolarHBondContact O-N 3.37Å; L200-R296 HydrophobicContact CD1-CB 3.91Å; L200-R296 HydrophobicContact CD1-CG 4.2Å; L200-V300 HydrophobicContact CD1-CG2 4.38Å; L200-V300 HydrophobicContact CD2-CG2 3.55Å
201I98Very high96.3Very high86 Ų8642.6 Ų42.644%0.44124%0.243SC..Iπ-helixtrans-69.5-51.9-178.2-68165.6000110.4M197 C198 D199 L206M197-I201 VanDerWaalsContact O-CG1 3.28Å; M197-I201 WeakPolarHBondContact O-CG1 3.33Å; M197-I201 PolarHBondContact O-N 3.31Å; C198-I201 PolarHBondContact O-N 3.47Å; D199-I201 VanDerWaalsContact C-N 3.31Å; D199-I201 PolarHBondContact O-N 3.46Å; I201-L206 HydrophobicContact CG2-CD1 4.01Å; I201-L206 HydrophobicContact CG2-CG 4.08Å; I201-L206 VanDerWaalsContact O-CB 3.27Å; I201-L206 WeakPolarHBondContact O-CB 3.32Å; I201-L206 WeakPolarHBondContact O-CG 3.27Å; I201-L206 PolarHBondContact O-N 2.97Å
202V98Very high96.4Very high47 Ų4742.3 Ų42.329%0.28524%0.237SC..Iπ-helixtrans-74-38.6-170.9176.60000112.5C198 D199 P207C198-V202 WeakPolarHBondContact O-CB 3.29Å; C198-V202 VanDerWaalsContact O-CG2 3.3Å; C198-V202 WeakPolarHBondContact O-CG2 3.47Å; C198-V202 PolarHBondContact O-N 3.01Å; D199-V202 PolarHBondContact O-N 3.24Å; V202-P207 WeakPolarHBondContact O-CD 3.33Å; V202-P207 VanDerWaalsContact O-CG 3.31Å; V202-P207 WeakPolarHBondContact O-CG 3.31Å
203F98Very high96.5Very high2 Ų246.1 Ų46.11%0.00926%0.261CS..Iπ-helixtrans-111.3-0.4-171.8-58.6-72.8000114.4D114 A117 L118 F156 T157 Y160 D199D114-F203 HydrophobicContact CB-CD1 3.54Å; D114-F203 HydrophobicContact CB-CD2 4.26Å; D114-F203 HydrophobicContact CB-CE1 3.61Å; D114-F203 HydrophobicContact CB-CE2 4.34Å; D114-F203 HydrophobicContact CB-CG 3.87Å; D114-F203 HydrophobicContact CB-CZ 4.03Å; D114-F203 WeakPolarHBondContact OD1-CG 3.41Å; A117-F203 HydrophobicContact CB-CB 4.38Å; A117-F203 WeakPolarHBondContact CB-O 3.32Å; L118-F203 HydrophobicContact CD1-CD1 4.4Å; L118-F203 HydrophobicContact CD1-CE1 3.77Å; L118-F203 HydrophobicContact CD2-CD1 4.24Å; L118-F203 HydrophobicContact CD2-CE1 4.29Å; L118-F203 HydrophobicContact CG-CD1 3.99Å; L118-F203 HydrophobicContact CG-CE1 3.88Å; F156-F203 HydrophobicContact CD1-CZ 4.47Å; F156-F203 AromaticContact CE1-CE1 3.93Å; F156-F203 HydrophobicContact CE1-CE1 3.93Å; F156-F203 AromaticContact CE1-CZ 3.68Å; F156-F203 HydrophobicContact CE1-CZ 3.68Å; F156-F203 HydrophobicContact CZ-CZ 4.36Å; T157-F203 HydrophobicContact CG2-CE1 4.13Å; Y160-F203 AromaticContact CD1-CE2 3.64Å; Y160-F203 HydrophobicContact CD1-CE2 3.64Å; Y160-F203 AromaticContact CD1-CZ 3.96Å; Y160-F203 HydrophobicContact CD1-CZ 3.96Å; Y160-F203 HydrophobicContact CD2-CE2 4.29Å; Y160-F203 HydrophobicContact CD2-CZ 4.46Å; Y160-F203 HydrophobicContact CE1-CD2 4.2Å; Y160-F203 AromaticContact CE1-CE2 3.39Å; Y160-F203 HydrophobicContact CE1-CE2 3.39Å; Y160-F203 HydrophobicContact CE1-CZ 4.19Å; Y160-F203 HydrophobicContact CE2-CE2 4.06Å; Y160-F203 HydrophobicContact CG-CE2 4.1Å; Y160-F203 HydrophobicContact CG-CZ 4.12Å; Y160-F203 AromaticContact CZ-CE2 3.62Å; D199-F203 WeakPolarHBondContact O-CB 3.13Å; D199-F203 PolarHBondContact O-N 3.12Å; D199-F203 WeakPolarHBondContact OD1-CD2 3.45Å
204Y97.8Very high96.6Very high19 Ų1944 Ų448%0.07525%0.253CS..Iπ-helixtrans-130.3-60.8174.1-178.7-104.5000113.1L200 L208 F288 A289 W292 R296L200-Y204 HydrophobicContact CD1-CD1 3.76Å; L200-Y204 HydrophobicContact CD1-CG 4.37Å; L200-Y204 WeakPolarHBondContact O-CA 3.41Å; L200-Y204 VanDerWaalsContact O-CB 3.31Å; L200-Y204 WeakPolarHBondContact O-CB 3.42Å; L200-Y204 PolarHBondContact O-N 2.91Å; Y204-L208 WeakPolarHBondContact O-CB 3.2Å; Y204-L208 PolarHBondContact O-N 3.4Å; Y204-F288 AromaticContact CD2-CE1 3.95Å; Y204-F288 HydrophobicContact CD2-CE1 3.95Å; Y204-F288 HydrophobicContact CD2-CZ 4.11Å; Y204-F288 HydrophobicContact CE2-CE1 4.42Å; Y204-A289 PolarHBondContact OH-O 2.95Å; Y204-W292 HydrophobicContact CD2-CB 4.01Å; Y204-W292 HydrophobicContact CE2-CB 3.71Å; Y204-R296 HydrophobicContact CD1-CG 4.35Å; Y204-R296 HydrophobicContact CD2-CG 4.21Å; Y204-R296 HydrophobicContact CE2-CG 4.5Å; Y204-R296 HydrophobicContact CG-CG 4.13Å
205V97.9Very high96.6Very high54 Ų5441.3 Ų41.333%0.32723%0.228SC..Iπ-helixtrans-67.2-53.5-174.2176.80000111.9L200 L208 L209L200-V205 HydrophobicContact CG-CG2 4.16Å; L200-V205 PolarHBondContact O-N 3.37Å; V205-L208 PolarHBondContact O-N 3.04Å; V205-L209 HydrophobicContact CG1-CD1 3.82Å; V205-L209 HydrophobicContact CG1-CG 4.31Å; V205-L209 WeakPolarHBondContact O-CB 3.26Å; V205-L209 VanDerWaalsContact O-CG 3.31Å; V205-L209 WeakPolarHBondContact O-CG 3.42Å; V205-L209 PolarHBondContact O-N 2.88Å
206L97.1Very high96.6Very high82 Ų8243.3 Ų43.343%0.42925%0.245SC..Hα-helixtrans-60.4-49179-74.6176000111.6I201 L208 L209 I210I201-L206 HydrophobicContact CG2-CD1 4.01Å; I201-L206 HydrophobicContact CG2-CG 4.08Å; I201-L206 VanDerWaalsContact O-CB 3.27Å; I201-L206 WeakPolarHBondContact O-CB 3.32Å; I201-L206 WeakPolarHBondContact O-CG 3.27Å; I201-L206 PolarHBondContact O-N 2.97Å; L206-L208 VanDerWaalsContact C-N 3.33Å; L206-L208 PolarHBondContact O-N 3.3Å; L206-L209 PolarHBondContact O-N 3.5Å; L206-I210 WeakPolarHBondContact O-CB 3.41Å; L206-I210 VanDerWaalsContact O-CG1 3.24Å; L206-I210 WeakPolarHBondContact O-CG1 3.31Å; L206-I210 PolarHBondContact O-N 3.24Å
207P96.8Very high96.5Very high4 Ų446.2 Ų46.23%0.02626%0.259CS..Hα-helixtrans-51.2-48.6171.5-37.341.6000114.3C121 V202 T211 F288C121-P207 WeakPolarHBondContact SG-CA 3.43Å; C121-P207 WeakPolarHBondContact SG-CB 3.42Å; V202-P207 WeakPolarHBondContact O-CD 3.33Å; V202-P207 VanDerWaalsContact O-CG 3.31Å; V202-P207 WeakPolarHBondContact O-CG 3.31Å; P207-T211 VanDerWaalsContact O-CB 3.3Å; P207-T211 WeakPolarHBondContact O-CB 3.21Å; P207-T211 WeakPolarHBondContact O-CG2 3.24Å; P207-T211 PolarHBondContact O-N 3.5Å; P207-T211 PolarHBondContact O-OG1 3.48Å; P207-F288 HydrophobicContact CB-CE1 4.25Å; P207-F288 HydrophobicContact CB-CZ 4.48Å
208L96.2Very high96.4Very high38 Ų3844.4 Ų44.420%0.19925%0.25CS..Hα-helixtrans-64.2-45.4-178.6-179.356.7000111.6Y204 V205 L206 T211 S212 V285 A289Y204-L208 WeakPolarHBondContact O-CB 3.2Å; Y204-L208 PolarHBondContact O-N 3.4Å; V205-L208 PolarHBondContact O-N 3.04Å; L206-L208 VanDerWaalsContact C-N 3.33Å; L206-L208 PolarHBondContact O-N 3.3Å; L208-T211 PolarHBondContact O-OG1 2.96Å; L208-T211 VanDerWaalsContact O-OG1 3.14Å; L208-S212 WeakPolarHBondContact O-CB 3.39Å; L208-S212 PolarHBondContact O-N 3.01Å; L208-S212 PolarHBondContact O-OG 3.5Å; L208-S212 VanDerWaalsContact O-OG 3.1Å; L208-V285 HydrophobicContact CD1-CG1 3.95Å; L208-A289 HydrophobicContact CD1-CB 3.56Å; L208-A289 HydrophobicContact CD2-CB 3.93Å; L208-A289 HydrophobicContact CG-CB 4.41Å
209L96.3Very high96.3Very high102 Ų10243.3 Ų43.353%0.53424%0.243SC..Hα-helixtrans-63.8-48.8178.7-69.9176000111.8V205 L206 T211 S212 V213V205-L209 HydrophobicContact CG1-CD1 3.82Å; V205-L209 HydrophobicContact CG1-CG 4.31Å; V205-L209 WeakPolarHBondContact O-CB 3.26Å; V205-L209 VanDerWaalsContact O-CG 3.31Å; V205-L209 WeakPolarHBondContact O-CG 3.42Å; V205-L209 PolarHBondContact O-N 2.88Å; L206-L209 PolarHBondContact O-N 3.5Å; L209-T211 PolarHBondContact O-N 3.36Å; L209-S212 PolarHBondContact O-N 3.48Å; L209-V213 WeakPolarHBondContact O-CG2 3.35Å; L209-V213 PolarHBondContact O-N 3.43Å
210I95.8Very high96.2Very high72 Ų7251.1 Ų51.137%0.36927%0.273SS..Hα-helixtrans-59.2-50179.6-69.6168.6000110L206 V213 M214L206-I210 WeakPolarHBondContact O-CB 3.41Å; L206-I210 VanDerWaalsContact O-CG1 3.24Å; L206-I210 WeakPolarHBondContact O-CG1 3.31Å; L206-I210 PolarHBondContact O-N 3.24Å; I210-V213 PolarHBondContact O-N 2.88Å; I210-M214 HydrophobicContact CG2-CE 3.52Å; I210-M214 HydrophobicContact CG2-SD 3.8Å; I210-M214 WeakPolarHBondContact O-CB 3.38Å; I210-M214 VanDerWaalsContact O-CG 3.26Å; I210-M214 WeakPolarHBondContact O-CG 3.36Å; I210-M214 PolarHBondContact O-N 2.88Å
211T95.4Very high96Very high1 Ų155.1 Ų55.11%0.00629%0.286CS..Hα-helixtrans-66.6-43-177.857.50000111.6I120 P207 L208 L209 V213 M214 Y215I120-T211 HydrophobicContact CG2-CG2 4.3Å; P207-T211 VanDerWaalsContact O-CB 3.3Å; P207-T211 WeakPolarHBondContact O-CB 3.21Å; P207-T211 WeakPolarHBondContact O-CG2 3.24Å; P207-T211 PolarHBondContact O-N 3.5Å; P207-T211 PolarHBondContact O-OG1 3.48Å; L208-T211 PolarHBondContact O-OG1 2.96Å; L208-T211 VanDerWaalsContact O-OG1 3.14Å; L209-T211 PolarHBondContact O-N 3.36Å; T211-V213 PolarHBondContact O-N 3.47Å; T211-M214 PolarHBondContact O-N 3.47Å; T211-Y215 WeakPolarHBondContact O-CD2 3.07Å; T211-Y215 PolarHBondContact O-N 3.27Å
212S94.9Very high95.7Very high49 Ų4951.5 Ų51.534%0.34327%0.267SS..Hα-helixtrans-57.9-50.6175.4-76.90000112L208 L209 M214 Y215 C216L208-S212 WeakPolarHBondContact O-CB 3.39Å; L208-S212 PolarHBondContact O-N 3.01Å; L208-S212 PolarHBondContact O-OG 3.5Å; L208-S212 VanDerWaalsContact O-OG 3.1Å; L209-S212 PolarHBondContact O-N 3.48Å; S212-M214 VanDerWaalsContact C-N 3.31Å; S212-M214 PolarHBondContact O-N 3.39Å; S212-Y215 PolarHBondContact O-N 2.99Å; S212-C216 PolarHBondContact O-N 2.88Å; S212-C216 PolarHBondContact O-SG 3.03Å
213V95.6Very high95.5Very high81 Ų8155.1 Ų55.149%0.49128%0.279SS..Hα-helixtrans-58.4-45.1177.7171.50000110.8L209 I210 T211 Y215 C216 Q217L209-V213 WeakPolarHBondContact O-CG2 3.35Å; L209-V213 PolarHBondContact O-N 3.43Å; I210-V213 PolarHBondContact O-N 2.88Å; T211-V213 PolarHBondContact O-N 3.47Å; V213-Y215 PolarHBondContact O-N 3.1Å; V213-C216 PolarHBondContact O-N 3.14Å; V213-Q217 WeakPolarHBondContact O-CG 3.12Å; V213-Q217 PolarHBondContact O-N 2.87Å
214M95.9Very high95.2Very high29 Ų2962.6 Ų62.614%0.14331%0.307CS..Hα-helixtrans-62.1-43.2178.4-74.9177-177.600112.5V125 W128 I210 T211 S212 Q217 I218V125-M214 HydrophobicContact CB-CE 4.36Å; V125-M214 HydrophobicContact CB-SD 4.28Å; V125-M214 HydrophobicContact CG2-CE 3.5Å; V125-M214 HydrophobicContact CG2-SD 3.69Å; W128-M214 HydrophobicContact CB-CB 4.12Å; W128-M214 HydrophobicContact CB-CG 4.08Å; W128-M214 HydrophobicContact CB-SD 4.2Å; W128-M214 HydrophobicContact CD2-CG 4.36Å; W128-M214 HydrophobicContact CG-CB 4.19Å; W128-M214 HydrophobicContact CG-CG 3.92Å; W128-M214 HydrophobicContact CG-SD 4.47Å; I210-M214 HydrophobicContact CG2-CE 3.52Å; I210-M214 HydrophobicContact CG2-SD 3.8Å; I210-M214 WeakPolarHBondContact O-CB 3.38Å; I210-M214 VanDerWaalsContact O-CG 3.26Å; I210-M214 WeakPolarHBondContact O-CG 3.36Å; I210-M214 PolarHBondContact O-N 2.88Å; T211-M214 PolarHBondContact O-N 3.47Å; S212-M214 VanDerWaalsContact C-N 3.31Å; S212-M214 PolarHBondContact O-N 3.39Å; M214-Q217 PolarHBondContact O-N 2.88Å; M214-I218 WeakPolarHBondContact O-CB 3.15Å; M214-I218 WeakPolarHBondContact O-CG1 3.41Å; M214-I218 PolarHBondContact O-N 3.24Å
215Y94.5Very high95Very high10 Ų1064.6 Ų64.64%0.03932%0.321CS..Hα-helixtrans-72.4-32.2179.5-77-62.3000113.6S124 T211 S212 V213 Q217 I218 S219 L281 M282 V285S124-Y215 WeakPolarHBondContact CB-OH 3.39Å; S124-Y215 VanDerWaalsContact OG-CE2 3.27Å; S124-Y215 WeakPolarHBondContact OG-CE2 3.44Å; S124-Y215 PolarHBondContact OG-OH 3.47Å; T211-Y215 WeakPolarHBondContact O-CD2 3.07Å; T211-Y215 PolarHBondContact O-N 3.27Å; S212-Y215 PolarHBondContact O-N 2.99Å; V213-Y215 PolarHBondContact O-N 3.1Å; Y215-Q217 VanDerWaalsContact C-N 3.35Å; Y215-I218 HydrophobicContact CD1-CD1 3.82Å; Y215-I218 HydrophobicContact CE1-CD1 3.89Å; Y215-I218 PolarHBondContact O-N 3.12Å; Y215-S219 VanDerWaalsContact O-CB 3.27Å; Y215-S219 WeakPolarHBondContact O-CB 3.36Å; Y215-S219 PolarHBondContact O-N 3.32Å; Y215-S219 PolarHBondContact O-OG 3.45Å; Y215-L281 HydrophobicContact CD1-CB 4.18Å; Y215-L281 HydrophobicContact CE1-CB 3.24Å; Y215-L281 HydrophobicContact CE1-CD1 3.76Å; Y215-L281 HydrophobicContact CE1-CG 4.11Å; Y215-L281 HydrophobicContact CE2-CB 4.47Å; Y215-L281 VanDerWaalsContact CZ-CB 3.44Å; Y215-L281 WeakPolarHBondContact OH-CB 3.43Å; Y215-M282 HydrophobicContact CD1-CG 4.08Å; Y215-M282 HydrophobicContact CG-CG 4.12Å; Y215-V285 HydrophobicContact CD2-CB 4.35Å; Y215-V285 HydrophobicContact CD2-CG2 3.5Å; Y215-V285 HydrophobicContact CE2-CB 4.47Å; Y215-V285 HydrophobicContact CE2-CG2 3.26Å
216C94Very high94.7Very high88 Ų8862.1 Ų62.160%0.59531%0.306SS*.Hα-helixtrans-58.7-49.1168.3-69.60000110.3S212 V213 S219 W220S212-C216 PolarHBondContact O-N 2.88Å; S212-C216 PolarHBondContact O-SG 3.03Å; V213-C216 PolarHBondContact O-N 3.14Å; C216-S219 PolarHBondContact O-N 3.48Å; C216-W220 WeakPolarHBondContact O-CB 3.48Å; C216-W220 PolarHBondContact O-N 2.87Å
217Q95.7Very high94.5Very high74 Ų7460.9 Ų60.935%0.34630%0.3SS..Hα-helixtrans-64.5-43.2178.6-68.8179.62200112.8V213 M214 Y215 S219 W220 R221V213-Q217 WeakPolarHBondContact O-CG 3.12Å; V213-Q217 PolarHBondContact O-N 2.87Å; M214-Q217 PolarHBondContact O-N 2.88Å; Y215-Q217 VanDerWaalsContact C-N 3.35Å; Q217-S219 VanDerWaalsContact C-N 3.33Å; Q217-S219 PolarHBondContact O-N 2.85Å; Q217-W220 PolarHBondContact O-N 3.33Å; Q217-R221 WeakPolarHBondContact O-CB 3.24Å; Q217-R221 PolarHBondContact O-N 3.32Å
218I95.2Very high94.4Very high0 Ų067.7 Ų67.70%033%0.329CS..Hα-helixtrans-58.6-47.5176-71.8164.9000110.2R127 W128 I131 M214 Y215 R221 L222 V278R127-I218 HydrophobicContact CB-CD1 4.35Å; W128-I218 HydrophobicContact CB-CD1 4.02Å; W128-I218 HydrophobicContact CB-CG1 4.25Å; I131-I218 HydrophobicContact CD1-CG2 3.78Å; I131-I218 HydrophobicContact CG2-CG2 4.26Å; M214-I218 WeakPolarHBondContact O-CB 3.15Å; M214-I218 WeakPolarHBondContact O-CG1 3.41Å; M214-I218 PolarHBondContact O-N 3.24Å; Y215-I218 HydrophobicContact CD1-CD1 3.82Å; Y215-I218 HydrophobicContact CE1-CD1 3.89Å; Y215-I218 PolarHBondContact O-N 3.12Å; I218-R221 PolarHBondContact O-N 3.2Å; I218-L222 HydrophobicContact CG2-CD1 4.18Å; I218-L222 HydrophobicContact CG2-CG 4.46Å; I218-L222 WeakPolarHBondContact O-CB 2.99Å; I218-L222 WeakPolarHBondContact O-CG 3.21Å; I218-L222 PolarHBondContact O-N 3.37Å; I218-V278 HydrophobicContact CG2-CB 4.24Å; I218-V278 HydrophobicContact CG2-CG1 3.65Å; I218-V278 HydrophobicContact CG2-CG2 3.51Å
219S93.8Very high94.2Very high41 Ų4167 Ų6729%0.28733%0.332SS..Hα-helixtrans-63.2-45.8-178.3-630000111.3Y215 C216 Q217 R221 L222 F223 M282Y215-S219 VanDerWaalsContact O-CB 3.27Å; Y215-S219 WeakPolarHBondContact O-CB 3.36Å; Y215-S219 PolarHBondContact O-N 3.32Å; Y215-S219 PolarHBondContact O-OG 3.45Å; C216-S219 PolarHBondContact O-N 3.48Å; Q217-S219 VanDerWaalsContact C-N 3.33Å; Q217-S219 PolarHBondContact O-N 2.85Å; S219-R221 PolarHBondContact O-N 2.82Å; S219-L222 PolarHBondContact O-N 2.72Å; S219-F223 WeakPolarHBondContact O-CB 3.48Å; S219-F223 PolarHBondContact O-N 2.94Å; S219-M282 PolarHBondContact OG-SD 3.45Å; S219-M282 VanDerWaalsContact OG-SD 3.37Å
220W94.8Very high94.1Very high165 Ų16564.4 Ų64.463%0.62532%0.318SS*.Hα-helixtrans-60.8-46.1176.2-176.755000112.1C216 Q217 L222 F223 R224C216-W220 WeakPolarHBondContact O-CB 3.48Å; C216-W220 PolarHBondContact O-N 2.87Å; Q217-W220 PolarHBondContact O-N 3.33Å; W220-L222 PolarHBondContact O-N 3.25Å; W220-F223 PolarHBondContact O-N 3.05Å; W220-R224 PolarHBondContact O-N 3.49Å
221R94.3Very high94Very high114 Ų11464.3 Ų64.343%0.4332%0.324SS..Hα-helixtrans-63.4-43.2179.1-175.965.3176.6-144.40.1112.4Q217 I218 S219 T225Q217-R221 WeakPolarHBondContact O-CB 3.24Å; Q217-R221 PolarHBondContact O-N 3.32Å; I218-R221 PolarHBondContact O-N 3.2Å; S219-R221 PolarHBondContact O-N 2.82Å; R221-T225 WeakPolarHBondContact O-CB 3.35Å; R221-T225 PolarHBondContact O-N 2.99Å; R221-T225 PolarHBondContact O-OG1 3.02Å
222L92.9Very high93.9Very high9 Ų968.6 Ų68.65%0.04735%0.346CS..Hα-helixtrans-65.4-42.5178.2-79.9-176.4000111.9I131 I218 S219 W220 R224 T225 D226 R274 V278I131-L222 HydrophobicContact CG2-CD2 3.8Å; I131-L222 HydrophobicContact CG2-CG 3.92Å; I218-L222 HydrophobicContact CG2-CD1 4.18Å; I218-L222 HydrophobicContact CG2-CG 4.46Å; I218-L222 WeakPolarHBondContact O-CB 2.99Å; I218-L222 WeakPolarHBondContact O-CG 3.21Å; I218-L222 PolarHBondContact O-N 3.37Å; S219-L222 PolarHBondContact O-N 2.72Å; W220-L222 PolarHBondContact O-N 3.25Å; L222-R224 VanDerWaalsContact C-N 3.33Å; L222-R224 PolarHBondContact O-N 3.43Å; L222-T225 PolarHBondContact O-N 3.2Å; L222-D226 WeakPolarHBondContact O-CB 3.42Å; L222-D226 PolarHBondContact O-N 2.87Å; L222-R274 HydrophobicContact CD2-CB 4.29Å; L222-V278 HydrophobicContact CD1-CB 3.93Å; L222-V278 HydrophobicContact CD1-CG1 4.34Å; L222-V278 HydrophobicContact CD1-CG2 3.39Å
223F92.2Very high93.8Very high124 Ų12467 Ų6754%0.54434%0.335SS..Hα-helixtrans-56.4-49177.6-176.4-98.3000111.2S219 W220 N227S219-F223 WeakPolarHBondContact O-CB 3.48Å; S219-F223 PolarHBondContact O-N 2.94Å; W220-F223 PolarHBondContact O-N 3.05Å; F223-N227 WeakPolarHBondContact CE2-ND2 3.4Å; F223-N227 VanDerWaalsContact CZ-ND2 3.32Å; F223-N227 WeakPolarHBondContact CZ-ND2 3.31Å; F223-N227 VanDerWaalsContact O-CB 3.28Å; F223-N227 WeakPolarHBondContact O-CB 3.16Å; F223-N227 PolarHBondContact O-N 3.28Å; F223-N227 PolarHBondContact O-ND2 2.87Å; F223-N227 PolarHBondContact O-OD1 2.71Å
224R93.3Very high93.6Very high158 Ų15864.1 Ų64.160%0.59632%0.321SS*.Hα-helixtrans-66.7-46.9178.8-64.2-17377.6168.84.9112.7W220 L222 K228W220-R224 PolarHBondContact O-N 3.49Å; L222-R224 VanDerWaalsContact C-N 3.33Å; L222-R224 PolarHBondContact O-N 3.43Å; R224-K228 VanDerWaalsContact O-CB 3.3Å; R224-K228 WeakPolarHBondContact O-CB 3.28Å; R224-K228 PolarHBondContact O-N 2.97Å
225T92.5Very high93.4Very high61 Ų6168.9 Ų68.937%0.37434%0.343SS..Hα-helixtrans-70.8-42.5-173-52.50000112R221 L222 G229R221-T225 WeakPolarHBondContact O-CB 3.35Å; R221-T225 PolarHBondContact O-N 2.99Å; R221-T225 PolarHBondContact O-OG1 3.02Å; L222-T225 PolarHBondContact O-N 3.2Å; T225-G229 PolarHBondContact O-N 3.26Å
226D92.2Very high93.1Very high2 Ų272.4 Ų72.41%0.01136%0.36CS..Hα-helixtrans-67.9-44178.8-74.1-20000111.1L222 G229 I230 A271 R274 R275L222-D226 WeakPolarHBondContact O-CB 3.42Å; L222-D226 PolarHBondContact O-N 2.87Å; D226-G229 PolarHBondContact O-N 3.38Å; D226-I230 WeakPolarHBondContact O-CB 3.34Å; D226-I230 VanDerWaalsContact O-CG1 3.25Å; D226-I230 WeakPolarHBondContact O-CG1 3.21Å; D226-I230 PolarHBondContact O-N 3.43Å; D226-A271 HydrophobicContact CB-CB 3.87Å; D226-A271 VanDerWaalsContact CG-CB 3.43Å; D226-A271 WeakPolarHBondContact OD1-CB 2.96Å; D226-R274 IonicContact OD1-CZ 3.7Å; D226-R274 IonicContact OD1-NE 3.72Å; D226-R274 PolarHBondContact OD1-NE 3.04Å; D226-R274 IonicContact OD1-NH2 2.71Å; D226-R274 PolarHBondContact OD1-NH2 3.46Å; D226-R275 IonicContact OD2-CZ 2.67Å; D226-R275 IonicContact OD2-NE 3.4Å; D226-R275 PolarHBondContact OD2-NE 3.42Å; D226-R275 IonicContact OD2-NH2 3.84Å
227N93.1Very high92.8Very high56 Ų5668.6 Ų68.630%0.29933%0.333SS..Hα-helixtrans-64.4-46.1179.6-68.50.9000110.4F223 G229 I230 S231 R275F223-N227 WeakPolarHBondContact CE2-ND2 3.4Å; F223-N227 VanDerWaalsContact CZ-ND2 3.32Å; F223-N227 WeakPolarHBondContact CZ-ND2 3.31Å; F223-N227 VanDerWaalsContact O-CB 3.28Å; F223-N227 WeakPolarHBondContact O-CB 3.16Å; F223-N227 PolarHBondContact O-N 3.28Å; F223-N227 PolarHBondContact O-ND2 2.87Å; F223-N227 PolarHBondContact O-OD1 2.71Å; N227-G229 VanDerWaalsContact C-N 3.33Å; N227-G229 PolarHBondContact O-N 3.3Å; N227-I230 PolarHBondContact O-N 3.24Å; N227-S231 WeakPolarHBondContact O-CB 3.48Å; N227-S231 PolarHBondContact O-N 2.99Å; N227-S231 PolarHBondContact O-OG 3.43Å; N227-S231 VanDerWaalsContact O-OG 3.05Å; N227-R275 PolarHBondContact OD1-NH2 2.81Å
228K94.2Very high92.3Very high147 Ų14769.7 Ų69.764%0.63934%0.342SS*.Hα-helixtrans-57.6-45.3174.6-173.7174.2-178.2175.70111.7R224 I230 S231 L232R224-K228 VanDerWaalsContact O-CB 3.3Å; R224-K228 WeakPolarHBondContact O-CB 3.28Å; R224-K228 PolarHBondContact O-N 2.97Å; K228-I230 PolarHBondContact O-N 2.95Å; K228-S231 PolarHBondContact O-N 3.12Å; K228-L232 HydrophobicContact CG-CD1 4.03Å; K228-L232 HydrophobicContact CG-CG 4.37Å; K228-L232 WeakPolarHBondContact O-CB 3.32Å; K228-L232 VanDerWaalsContact O-CG 3.26Å; K228-L232 WeakPolarHBondContact O-CG 3.34Å; K228-L232 PolarHBondContact O-N 3.23Å
229G92.7Very high91.9Very high25 Ų2575.8 Ų75.826%0.25837%0.368SS..Hα-helixtrans-63.3-37.9178.600000113.7T225 D226 N227 V233T225-G229 PolarHBondContact O-N 3.26Å; D226-G229 PolarHBondContact O-N 3.38Å; N227-G229 VanDerWaalsContact C-N 3.33Å; N227-G229 PolarHBondContact O-N 3.3Å; G229-V233 WeakPolarHBondContact O-CG2 3.35Å; G229-V233 PolarHBondContact O-N 3.34Å
230I93.3Very high91.4Very high47 Ų4775.9 Ų75.924%0.24137%0.365CS..Hα-helixtrans-69.9-46176.4-68.7165.7000110.4D226 N227 K228 L232 V233 G234 L264 V267 I268 A271D226-I230 WeakPolarHBondContact O-CB 3.34Å; D226-I230 VanDerWaalsContact O-CG1 3.25Å; D226-I230 WeakPolarHBondContact O-CG1 3.21Å; D226-I230 PolarHBondContact O-N 3.43Å; N227-I230 PolarHBondContact O-N 3.24Å; K228-I230 PolarHBondContact O-N 2.95Å; I230-L232 PolarHBondContact O-N 3.23Å; I230-V233 PolarHBondContact O-N 3.46Å; I230-G234 PolarHBondContact O-N 3.11Å; I230-L264 HydrophobicContact CG2-CD1 4.26Å; I230-V267 HydrophobicContact CG1-CG1 4.15Å; I230-I268 HydrophobicContact CD1-CG1 4.14Å; I230-I268 HydrophobicContact CG1-CG1 4.06Å; I230-I268 HydrophobicContact CG2-CG1 4.45Å; I230-A271 HydrophobicContact CD1-CB 4.43Å
231S93.7Very high90.8Very high69 Ų6971.3 Ų71.348%0.48335%0.351SS..Hα-helixtrans-61.6-43.6178.8-610000112.6N227 K228 V233 G234 Q235N227-S231 WeakPolarHBondContact O-CB 3.48Å; N227-S231 PolarHBondContact O-N 2.99Å; N227-S231 PolarHBondContact O-OG 3.43Å; N227-S231 VanDerWaalsContact O-OG 3.05Å; K228-S231 PolarHBondContact O-N 3.12Å; S231-V233 VanDerWaalsContact C-N 3.35Å; S231-V233 PolarHBondContact O-N 2.97Å; S231-G234 PolarHBondContact O-N 3.12Å; S231-Q235 WeakPolarHBondContact O-CG 3.08Å; S231-Q235 PolarHBondContact O-N 2.89Å
232L93.6Very high90.1Very high92 Ų9272 Ų7248%0.48236%0.362SS..Hα-helixtrans-62.1-41178.3-73.5172.8000112.3K228 I230 Q236K228-L232 HydrophobicContact CG-CD1 4.03Å; K228-L232 HydrophobicContact CG-CG 4.37Å; K228-L232 WeakPolarHBondContact O-CB 3.32Å; K228-L232 VanDerWaalsContact O-CG 3.26Å; K228-L232 WeakPolarHBondContact O-CG 3.34Å; K228-L232 PolarHBondContact O-N 3.23Å; I230-L232 PolarHBondContact O-N 3.23Å; L232-Q236 WeakPolarHBondContact O-CB 3.36Å; L232-Q236 PolarHBondContact O-N 2.89Å
233V92.8Very high89.5Confident16 Ų1675.7 Ų75.710%0.09738%0.381CS..Hα-helixtrans-69.9-40.2175.9176.60000110.9G229 I230 S231 Q235 Q236 I237 K263 L264 V267G229-V233 WeakPolarHBondContact O-CG2 3.35Å; G229-V233 PolarHBondContact O-N 3.34Å; I230-V233 PolarHBondContact O-N 3.46Å; S231-V233 VanDerWaalsContact C-N 3.35Å; S231-V233 PolarHBondContact O-N 2.97Å; V233-Q235 PolarHBondContact O-N 3.18Å; V233-Q236 PolarHBondContact O-N 3.49Å; V233-I237 HydrophobicContact CG1-CD1 3.98Å; V233-I237 HydrophobicContact CG1-CG1 4.43Å; V233-I237 VanDerWaalsContact O-CG1 3.25Å; V233-I237 WeakPolarHBondContact O-CG1 3.47Å; V233-I237 PolarHBondContact O-N 3.46Å; V233-K263 HydrophobicContact CG1-CG 4.38Å; V233-L264 HydrophobicContact CB-CD1 4.22Å; V233-L264 HydrophobicContact CG1-CB 3.99Å; V233-L264 HydrophobicContact CG1-CD1 3.99Å; V233-V267 HydrophobicContact CG2-CG2 4.08Å
234G91.2Very high88.6Confident20 Ų2071.4 Ų71.421%0.20637%0.366CS..Hα-helixtrans-58.3-45.5174.300000112.6I230 S231 Q236 I237 N238I230-G234 PolarHBondContact O-N 3.11Å; S231-G234 PolarHBondContact O-N 3.12Å; G234-Q236 PolarHBondContact O-N 3.39Å; G234-I237 PolarHBondContact O-N 2.89Å; G234-N238 PolarHBondContact O-N 3.31Å; G234-N238 PolarHBondContact O-OD1 2.92Å
235Q91.7Very high87.6Confident128 Ų12869 Ų6960%0.59837%0.374SS*.Hα-helixtrans-61.8-42.4175.8-74.1175-7.400112.3S231 V233 I237 N238 F239S231-Q235 WeakPolarHBondContact O-CG 3.08Å; S231-Q235 PolarHBondContact O-N 2.89Å; V233-Q235 PolarHBondContact O-N 3.18Å; Q235-I237 VanDerWaalsContact C-N 3.28Å; Q235-I237 PolarHBondContact O-N 2.91Å; Q235-N238 PolarHBondContact O-N 3.41Å; Q235-F239 WeakPolarHBondContact O-CB 3.31Å; Q235-F239 PolarHBondContact O-N 3.47Å
236Q89Confident86.5Confident85 Ų8569.6 Ų69.640%0.39739%0.392SS..Hα-helixtrans-61.9-37.1176.6-173.5175.421.600112.2L232 V233 G234 N240L232-Q236 WeakPolarHBondContact O-CB 3.36Å; L232-Q236 PolarHBondContact O-N 2.89Å; V233-Q236 PolarHBondContact O-N 3.49Å; G234-Q236 PolarHBondContact O-N 3.39Å; Q236-N240 WeakPolarHBondContact O-CB 3.41Å; Q236-N240 PolarHBondContact O-N 3.25Å; Q236-N240 VanDerWaalsContact O-N 3.14Å
237I87.4Confident85.4Confident8 Ų876.8 Ų76.84%0.04142%0.423CS..Hα-helixtrans-68.8-47.4178-65.7173.5000110.5V233 G234 Q235 F239 N240 Q241 H260 L264V233-I237 HydrophobicContact CG1-CD1 3.98Å; V233-I237 HydrophobicContact CG1-CG1 4.43Å; V233-I237 VanDerWaalsContact O-CG1 3.25Å; V233-I237 WeakPolarHBondContact O-CG1 3.47Å; V233-I237 PolarHBondContact O-N 3.46Å; G234-I237 PolarHBondContact O-N 2.89Å; Q235-I237 VanDerWaalsContact C-N 3.28Å; Q235-I237 PolarHBondContact O-N 2.91Å; I237-F239 VanDerWaalsContact C-N 3.32Å; I237-F239 PolarHBondContact O-N 2.86Å; I237-N240 PolarHBondContact O-N 3.43Å; I237-Q241 HydrophobicContact CG2-CG 4.46Å; I237-Q241 WeakPolarHBondContact O-CG 3.29Å; I237-Q241 PolarHBondContact O-N 3.23Å; I237-H260 HydrophobicContact CB-CB 4.44Å; I237-H260 HydrophobicContact CD1-CB 4.04Å; I237-H260 VanDerWaalsContact CD1-O 3.31Å; I237-H260 WeakPolarHBondContact CD1-O 3.28Å; I237-H260 HydrophobicContact CG1-CB 3.76Å; I237-H260 HydrophobicContact CG2-CB 4.02Å; I237-L264 HydrophobicContact CD1-CB 3.69Å; I237-L264 HydrophobicContact CD1-CD2 4.21Å; I237-L264 HydrophobicContact CD1-CG 4.48Å
238N85.6Confident84.1Confident97 Ų9781.2 Ų81.252%0.51945%0.452SS..Hα-helixtrans-59-44178.1-69.12.1000111.4G234 Q235 N240 Q241 I242G234-N238 PolarHBondContact O-N 3.31Å; G234-N238 PolarHBondContact O-OD1 2.92Å; Q235-N238 PolarHBondContact O-N 3.41Å; N238-N240 PolarHBondContact O-N 3.06Å; N238-Q241 PolarHBondContact O-N 2.95Å; N238-I242 WeakPolarHBondContact O-CG1 3.36Å; N238-I242 PolarHBondContact O-N 3.41Å
239F86.2Confident83Confident128 Ų12879.7 Ų79.756%0.56145%0.448SS*.Hα-helixtrans-60.8-45.1177.2-178-103.3000112.4Q235 I237 Q241 I242 I243Q235-F239 WeakPolarHBondContact O-CB 3.31Å; Q235-F239 PolarHBondContact O-N 3.47Å; I237-F239 VanDerWaalsContact C-N 3.32Å; I237-F239 PolarHBondContact O-N 2.86Å; F239-Q241 VanDerWaalsContact C-N 3.33Å; F239-Q241 PolarHBondContact O-N 3.45Å; F239-I242 PolarHBondContact O-N 2.9Å; F239-I243 HydrophobicContact CD1-CD1 3.77Å; F239-I243 HydrophobicContact CE1-CD1 3.22Å; F239-I243 HydrophobicContact CE1-CG1 4.36Å; F239-I243 HydrophobicContact CE2-CD1 4.32Å; F239-I243 HydrophobicContact CZ-CD1 3.55Å; F239-I243 HydrophobicContact CZ-CG1 4.43Å; F239-I243 PolarHBondContact O-N 3.05Å; F239-I243 VanDerWaalsContact O-N 3.11Å
240N82.9Confident82Confident42 Ų4289.1 Ų89.123%0.22548%0.475CS..Hα-helixtrans-68.6-31.6178.9-75.35.1000113.1Q236 I237 N238 S244 H260Q236-N240 WeakPolarHBondContact O-CB 3.41Å; Q236-N240 PolarHBondContact O-N 3.25Å; Q236-N240 VanDerWaalsContact O-N 3.14Å; I237-N240 PolarHBondContact O-N 3.43Å; N238-N240 PolarHBondContact O-N 3.06Å; N240-S244 WeakPolarHBondContact O-CB 3.27Å; N240-S244 PolarHBondContact O-N 3.48Å; N240-S244 PolarHBondContact O-OG 2.99Å; N240-H260 PolarHBondContact ND2-CE1 2.85Å; N240-H260 PolarHBondContact ND2-NE2 3.36Å
241Q81.1Confident80.9Confident70 Ų7090.8 Ų90.833%0.32749%0.491SS..Hα-helixtrans-65.3-45.9172.5-76.5178.2-25.400111.2I237 N238 F239 I243 S244 S245I237-Q241 HydrophobicContact CG2-CG 4.46Å; I237-Q241 WeakPolarHBondContact O-CG 3.29Å; I237-Q241 PolarHBondContact O-N 3.23Å; N238-Q241 PolarHBondContact O-N 2.95Å; F239-Q241 VanDerWaalsContact C-N 3.33Å; F239-Q241 PolarHBondContact O-N 3.45Å; Q241-I243 VanDerWaalsContact C-N 3.32Å; Q241-I243 PolarHBondContact O-N 3.3Å; Q241-S244 PolarHBondContact O-N 3.42Å; Q241-S244 VanDerWaalsContact O-N 3.09Å; Q241-S245 PolarHBondContact O-N 3.43Å; Q241-S245 PolarHBondContact O-OG 2.94Å
242I80.9Confident79.8Confident128 Ų12894.9 Ų94.966%0.65650%0.497SS*.Hα-helixtrans-56.4-45.5175.2-66.5164.4000111.1N238 F239 S244N238-I242 WeakPolarHBondContact O-CG1 3.36Å; N238-I242 PolarHBondContact O-N 3.41Å; F239-I242 PolarHBondContact O-N 2.9Å; I242-S244 VanDerWaalsContact C-N 3.33Å; I242-S244 PolarHBondContact O-N 3.23Å
243I79Confident78.9Confident86 Ų8692.5 Ų92.544%0.44149%0.491SS..Hα-helixtrans-64.6-37.7177.5-68.5173.2000111.9F239 Q241F239-I243 HydrophobicContact CD1-CD1 3.77Å; F239-I243 HydrophobicContact CE1-CD1 3.22Å; F239-I243 HydrophobicContact CE1-CG1 4.36Å; F239-I243 HydrophobicContact CE2-CD1 4.32Å; F239-I243 HydrophobicContact CZ-CD1 3.55Å; F239-I243 HydrophobicContact CZ-CG1 4.43Å; F239-I243 PolarHBondContact O-N 3.05Å; F239-I243 VanDerWaalsContact O-N 3.11Å; Q241-I243 VanDerWaalsContact C-N 3.32Å; Q241-I243 PolarHBondContact O-N 3.3Å
244S74.7Confident78.2Confident35 Ų3595.8 Ų95.825%0.24551%0.511CS..Hα-helixtrans-77.7-27.5-175.2-570000113N240 Q241 I242 G246 K247N240-S244 WeakPolarHBondContact O-CB 3.27Å; N240-S244 PolarHBondContact O-N 3.48Å; N240-S244 PolarHBondContact O-OG 2.99Å; Q241-S244 PolarHBondContact O-N 3.42Å; Q241-S244 VanDerWaalsContact O-N 3.09Å; I242-S244 VanDerWaalsContact C-N 3.33Å; I242-S244 PolarHBondContact O-N 3.23Å; S244-G246 PolarHBondContact O-N 2.93Å; S244-G246 VanDerWaalsContact O-N 3.09Å; S244-K247 PolarHBondContact O-N 3.23Å
245S71Confident77.6Confident107 Ų10799.1 Ų99.175%0.74852%0.523SS*.THydrogen-bonded Turntrans-58.2-20.1175.2-66.30000113.7Q241Q241-S245 PolarHBondContact O-N 3.43Å; Q241-S245 PolarHBondContact O-OG 2.94Å
246G71.1Confident77Confident73 Ų7394.5 Ų94.575%0.75351%0.505SS*.THydrogen-bonded Turntrans-81.2-4.1173.700000115.6S244S244-G246 PolarHBondContact O-N 2.93Å; S244-G246 VanDerWaalsContact O-N 3.09Å
247K67.7Low76.6Confident154 Ų15494.9 Ų94.967%0.6751%0.507SS*.SBendtrans-112127.9-177-62.6-175.4179.5-176.10110.7S244 E249S244-K247 PolarHBondContact O-N 3.23Å; K247-E249 VanDerWaalsContact C-N 3.26Å; K247-E249 PolarHBondContact O-N 2.85Å
248T66.8Low76.6Confident149 Ų14998 Ų9891%0.91453%0.527SS*.  trans-71.8-4.2-171.926.90000115.8R250T248-R250 PolarHBondContact O-N 3.47Å
249E70.5Confident76.6Confident115 Ų11599.7 Ų99.754%0.53753%0.531SS..  trans-88.396.8-176.8-65.5179.9139.100113K247 S251 Y252 A253K247-E249 VanDerWaalsContact C-N 3.26Å; K247-E249 PolarHBondContact O-N 2.85Å; E249-S251 PolarHBondContact O-N 3.5Å; E249-S251 VanDerWaalsContact O-N 3.15Å; E249-Y252 HydrophobicContact CB-CD2 3.8Å; E249-Y252 HydrophobicContact CG-CD2 4.31Å; E249-Y252 PolarHBondContact O-N 3.28Å; E249-Y252 WeakPolarHBondContact OE2-CD2 3.38Å; E249-Y252 WeakPolarHBondContact OE2-CE2 3.2Å; E249-A253 PolarHBondContact O-N 2.96Å
250R71.1Confident76.7Confident223 Ų22394.8 Ų94.884%0.84251%0.51SS*.Hα-helixtrans-53.4-33.7177.3-71.1-178.2179.7177.30.2114.3T248 T254T248-R250 PolarHBondContact O-N 3.47Å; R250-T254 PolarHBondContact O-N 2.85Å; R250-T254 PolarHBondContact O-OG1 2.82Å
251S71.4Confident77Confident82 Ų8296.4 Ų96.457%0.57352%0.519SS*.Hα-helixtrans-67.4-47.2-178.4-171.90000112.4E249 A253 T254 I255E249-S251 PolarHBondContact O-N 3.5Å; E249-S251 VanDerWaalsContact O-N 3.15Å; S251-A253 PolarHBondContact O-N 3.09Å; S251-T254 PolarHBondContact O-N 3.24Å; S251-I255 WeakPolarHBondContact O-CG1 3.36Å; S251-I255 PolarHBondContact O-N 2.88Å
252Y70.3Confident77.5Confident155 Ų15597 Ų9761%0.60852%0.524SS*.Hα-helixtrans-66.5-38.3178.5-76-83.7000112.6E249 T254 I255 S256E249-Y252 HydrophobicContact CB-CD2 3.8Å; E249-Y252 HydrophobicContact CG-CD2 4.31Å; E249-Y252 PolarHBondContact O-N 3.28Å; E249-Y252 WeakPolarHBondContact OE2-CD2 3.38Å; E249-Y252 WeakPolarHBondContact OE2-CE2 3.2Å; Y252-T254 VanDerWaalsContact C-N 3.34Å; Y252-T254 PolarHBondContact O-N 3.46Å; Y252-I255 PolarHBondContact O-N 2.93Å; Y252-S256 WeakPolarHBondContact O-CB 3.48Å; Y252-S256 PolarHBondContact O-N 3.4Å
253A74.2Confident78.1Confident42 Ų4295 Ų9535%0.34751%0.51SS..Hα-helixtrans-58.8-45.317600000111.7E249 S251 S256 E257E249-A253 PolarHBondContact O-N 2.96Å; S251-A253 PolarHBondContact O-N 3.09Å; A253-S256 PolarHBondContact O-N 3.23Å; A253-E257 WeakPolarHBondContact O-CB 3.08Å; A253-E257 PolarHBondContact O-N 3.05Å
254T77.7Confident78.8Confident85 Ų8592.8 Ų92.852%0.52150%0.499SS..Hα-helixtrans-64.6-42.8179.9-52.80000112.1R250 S251 Y252 T258R250-T254 PolarHBondContact O-N 2.85Å; R250-T254 PolarHBondContact O-OG1 2.82Å; S251-T254 PolarHBondContact O-N 3.24Å; Y252-T254 VanDerWaalsContact C-N 3.34Å; Y252-T254 PolarHBondContact O-N 3.46Å; T254-T258 WeakPolarHBondContact O-CB 3.33Å; T254-T258 PolarHBondContact O-N 3.36Å; T254-T258 PolarHBondContact O-OG1 3.11Å
255I78.6Confident79.7Confident89 Ų8999 Ų9946%0.45652%0.517SS..Hα-helixtrans-65-45.3178.1-66.7169.4000110.7S251 Y252 T258 Q259S251-I255 WeakPolarHBondContact O-CG1 3.36Å; S251-I255 PolarHBondContact O-N 2.88Å; Y252-I255 PolarHBondContact O-N 2.93Å; I255-T258 PolarHBondContact O-N 3.04Å; I255-Q259 WeakPolarHBondContact O-CG 3.46Å; I255-Q259 PolarHBondContact O-N 3.38Å
256S79.1Confident80.9Confident32 Ų32100 Ų10022%0.22451%0.508CS..Hα-helixtrans-61.3-46.6179.4-171.50000111.3Y252 A253 T258 Q259 H260Y252-S256 WeakPolarHBondContact O-CB 3.48Å; Y252-S256 PolarHBondContact O-N 3.4Å; A253-S256 PolarHBondContact O-N 3.23Å; S256-T258 VanDerWaalsContact C-N 3.32Å; S256-T258 PolarHBondContact O-N 3.46Å; S256-Q259 PolarHBondContact O-N 3.24Å; S256-H260 WeakPolarHBondContact O-CB 3.2Å; S256-H260 PolarHBondContact O-CD2 3.4Å; S256-H260 PolarHBondContact O-N 3.07Å; S256-H260 PolarHBondContact OG-CD2 2.99Å; S256-H260 PolarHBondContact OG-NE2 3.41Å
257E81.3Confident82Confident92 Ų9298.2 Ų98.243%0.4348%0.482SS..Hα-helixtrans-58.4-43.9175.4-177.8172.5-166.600112A253 Q259 H260 N261A253-E257 WeakPolarHBondContact O-CB 3.08Å; A253-E257 PolarHBondContact O-N 3.05Å; E257-Q259 PolarHBondContact O-N 2.83Å; E257-H260 PolarHBondContact O-N 3.18Å; E257-N261 WeakPolarHBondContact CG-ND2 3.21Å; E257-N261 WeakPolarHBondContact O-CB 3.26Å; E257-N261 PolarHBondContact O-N 3.15Å; E257-N261 PolarHBondContact O-ND2 3.24Å
258T86.4Confident83.3Confident75 Ų7593.6 Ų93.646%0.4646%0.464SS..Hα-helixtrans-60.3-47176.9-57.20000111.4T254 I255 S256 H260 N261 L262T254-T258 WeakPolarHBondContact O-CB 3.33Å; T254-T258 PolarHBondContact O-N 3.36Å; T254-T258 PolarHBondContact O-OG1 3.11Å; I255-T258 PolarHBondContact O-N 3.04Å; S256-T258 VanDerWaalsContact C-N 3.32Å; S256-T258 PolarHBondContact O-N 3.46Å; T258-H260 VanDerWaalsContact C-N 3.33Å; T258-H260 PolarHBondContact O-N 3.09Å; T258-N261 PolarHBondContact O-N 3.32Å; T258-L262 HydrophobicContact CG2-CD1 4.22Å; T258-L262 WeakPolarHBondContact O-CB 3.34Å; T258-L262 WeakPolarHBondContact O-CG 3.44Å; T258-L262 PolarHBondContact O-N 3.12Å
259Q87.4Confident84.5Confident132 Ų13289.6 Ų89.662%0.61744%0.437SS*.Hα-helixtrans-63-40178.1-70.4-173.6200112.4I255 S256 E257 L262 K263I255-Q259 WeakPolarHBondContact O-CG 3.46Å; I255-Q259 PolarHBondContact O-N 3.38Å; S256-Q259 PolarHBondContact O-N 3.24Å; E257-Q259 PolarHBondContact O-N 2.83Å; Q259-L262 PolarHBondContact O-N 3.37Å; Q259-K263 PolarHBondContact O-N 3.49Å
260H87.5Confident85.5Confident25 Ų2592.3 Ų92.312%0.11644%0.442CS..Hα-helixtrans-63.8-49.3177.2-81.3-42.4000112.5I237 N240 S256 E257 T258 L262 K263 L264I237-H260 HydrophobicContact CB-CB 4.44Å; I237-H260 HydrophobicContact CD1-CB 4.04Å; I237-H260 VanDerWaalsContact CD1-O 3.31Å; I237-H260 WeakPolarHBondContact CD1-O 3.28Å; I237-H260 HydrophobicContact CG1-CB 3.76Å; I237-H260 HydrophobicContact CG2-CB 4.02Å; N240-H260 PolarHBondContact ND2-CE1 2.85Å; N240-H260 PolarHBondContact ND2-NE2 3.36Å; S256-H260 WeakPolarHBondContact O-CB 3.2Å; S256-H260 PolarHBondContact O-CD2 3.4Å; S256-H260 PolarHBondContact O-N 3.07Å; S256-H260 PolarHBondContact OG-CD2 2.99Å; S256-H260 PolarHBondContact OG-NE2 3.41Å; E257-H260 PolarHBondContact O-N 3.18Å; T258-H260 VanDerWaalsContact C-N 3.33Å; T258-H260 PolarHBondContact O-N 3.09Å; H260-L262 VanDerWaalsContact C-N 3.27Å; H260-L262 PolarHBondContact O-N 3.35Å; H260-K263 WeakPolarHBondContact O-CB 3.35Å; H260-K263 PolarHBondContact O-N 3.1Å; H260-L264 PolarHBondContact O-N 2.69Å
261N88.7Confident86.5Confident76 Ų7681.8 Ų81.841%0.40640%0.403SS..Hα-helixtrans-59.5-38.8175.1-76-30.4000111.8E257 T258 L264 R265E257-N261 WeakPolarHBondContact CG-ND2 3.21Å; E257-N261 WeakPolarHBondContact O-CB 3.26Å; E257-N261 PolarHBondContact O-N 3.15Å; E257-N261 PolarHBondContact O-ND2 3.24Å; T258-N261 PolarHBondContact O-N 3.32Å; N261-L264 PolarHBondContact O-N 3.48Å; N261-R265 VanDerWaalsContact O-CB 3.26Å; N261-R265 WeakPolarHBondContact O-CB 3.2Å; N261-R265 PolarHBondContact O-N 3.05Å
262L92.8Very high87.4Confident82 Ų8284.5 Ų84.543%0.42940%0.401SS..Hα-helixtrans-64.2-39.9173.5-71.2172000112.5T258 Q259 H260 K266T258-L262 HydrophobicContact CG2-CD1 4.22Å; T258-L262 WeakPolarHBondContact O-CB 3.34Å; T258-L262 WeakPolarHBondContact O-CG 3.44Å; T258-L262 PolarHBondContact O-N 3.12Å; Q259-L262 PolarHBondContact O-N 3.37Å; H260-L262 VanDerWaalsContact C-N 3.27Å; H260-L262 PolarHBondContact O-N 3.35Å; L262-K266 WeakPolarHBondContact O-CB 3.27Å; L262-K266 VanDerWaalsContact O-CG 3.24Å; L262-K266 WeakPolarHBondContact O-CG 3.49Å; L262-K266 PolarHBondContact O-N 3.14Å
263K92.3Very high88.3Confident87 Ų8779 Ų7938%0.37839%0.387SS..Hα-helixtrans-63.1-47.7176.6-170.5-178.4-177.9-175.70111.2V233 Q259 H260 K266 V267V233-K263 HydrophobicContact CG1-CG 4.38Å; Q259-K263 PolarHBondContact O-N 3.49Å; H260-K263 WeakPolarHBondContact O-CB 3.35Å; H260-K263 PolarHBondContact O-N 3.1Å; K263-K266 WeakPolarHBondContact O-CB 3.21Å; K263-K266 PolarHBondContact O-N 3.25Å; K263-V267 PolarHBondContact O-N 2.81Å; K263-V267 VanDerWaalsContact O-N 3.13Å
264L93.6Very high88.9Confident38 Ų3882.6 Ų82.620%0.19939%0.392CS..Hα-helixtrans-60.9-47.6176.4-179.759.7000111.6I230 V233 I237 H260 N261 K266 V267 I268I230-L264 HydrophobicContact CG2-CD1 4.26Å; V233-L264 HydrophobicContact CB-CD1 4.22Å; V233-L264 HydrophobicContact CG1-CB 3.99Å; V233-L264 HydrophobicContact CG1-CD1 3.99Å; I237-L264 HydrophobicContact CD1-CB 3.69Å; I237-L264 HydrophobicContact CD1-CD2 4.21Å; I237-L264 HydrophobicContact CD1-CG 4.48Å; H260-L264 PolarHBondContact O-N 2.69Å; N261-L264 PolarHBondContact O-N 3.48Å; L264-K266 VanDerWaalsContact C-N 3.28Å; L264-K266 PolarHBondContact O-N 2.94Å; L264-V267 PolarHBondContact O-N 3.28Å; L264-I268 HydrophobicContact CD1-CD1 4.01Å; L264-I268 HydrophobicContact CD1-CG1 4.24Å; L264-I268 HydrophobicContact CD2-CD1 4.48Å; L264-I268 HydrophobicContact CG-CD1 3.84Å; L264-I268 HydrophobicContact CG-CG1 4.45Å; L264-I268 WeakPolarHBondContact O-CG1 3.27Å; L264-I268 PolarHBondContact O-N 3.25Å
265R94.8Very high89.5Confident166 Ų16682.5 Ų82.563%0.62638%0.382SS*.Hα-helixtrans-58.2-39.4177.3-172174-176.3-173.71.3112N261 N269N261-R265 VanDerWaalsContact O-CB 3.26Å; N261-R265 WeakPolarHBondContact O-CB 3.2Å; N261-R265 PolarHBondContact O-N 3.05Å; R265-N269 VanDerWaalsContact O-CB 3.23Å; R265-N269 WeakPolarHBondContact O-CB 3.48Å; R265-N269 PolarHBondContact O-N 2.98Å; R265-N269 PolarHBondContact O-ND2 3.5Å; R265-N269 VanDerWaalsContact O-ND2 3.16Å
266K94.9Very high90Very high129 Ų12981.6 Ų81.656%0.56138%0.376SS*.Hα-helixtrans-61.8-44174.6-76.3170.2-176.6176.10111.7L262 K263 L264 R270L262-K266 WeakPolarHBondContact O-CB 3.27Å; L262-K266 VanDerWaalsContact O-CG 3.24Å; L262-K266 WeakPolarHBondContact O-CG 3.49Å; L262-K266 PolarHBondContact O-N 3.14Å; K263-K266 WeakPolarHBondContact O-CB 3.21Å; K263-K266 PolarHBondContact O-N 3.25Å; L264-K266 VanDerWaalsContact C-N 3.28Å; L264-K266 PolarHBondContact O-N 2.94Å; K266-R270 VanDerWaalsContact O-CG 3.29Å; K266-R270 WeakPolarHBondContact O-CG 3.38Å; K266-R270 PolarHBondContact O-N 2.99Å
267V94.3Very high90.3Very high34 Ų3483.1 Ų83.121%0.20638%0.383CS..Hα-helixtrans-65.8-47.81781730000111.6I230 V233 K263 L264 N269 R270 A271I230-V267 HydrophobicContact CG1-CG1 4.15Å; V233-V267 HydrophobicContact CG2-CG2 4.08Å; K263-V267 PolarHBondContact O-N 2.81Å; K263-V267 VanDerWaalsContact O-N 3.13Å; L264-V267 PolarHBondContact O-N 3.28Å; V267-N269 VanDerWaalsContact C-N 3.32Å; V267-N269 PolarHBondContact O-N 3.1Å; V267-R270 PolarHBondContact O-N 3.46Å; V267-A271 PolarHBondContact O-N 3.4Å
268I94.8Very high90.6Very high58 Ų5879 Ų7930%0.29736%0.364SS..Hα-helixtrans-58.8-44.4176.6-67.8172.1000110.8I230 L264 R270 A271 R272I230-I268 HydrophobicContact CD1-CG1 4.14Å; I230-I268 HydrophobicContact CG1-CG1 4.06Å; I230-I268 HydrophobicContact CG2-CG1 4.45Å; L264-I268 HydrophobicContact CD1-CD1 4.01Å; L264-I268 HydrophobicContact CD1-CG1 4.24Å; L264-I268 HydrophobicContact CD2-CD1 4.48Å; L264-I268 HydrophobicContact CG-CD1 3.84Å; L264-I268 HydrophobicContact CG-CG1 4.45Å; L264-I268 WeakPolarHBondContact O-CG1 3.27Å; L264-I268 PolarHBondContact O-N 3.25Å; I268-R270 VanDerWaalsContact C-N 3.33Å; I268-R270 PolarHBondContact O-N 3.41Å; I268-A271 PolarHBondContact O-N 3.4Å; I268-R272 WeakPolarHBondContact O-CB 3.5Å; I268-R272 PolarHBondContact O-N 3.35Å
269N93.1Very high90.8Very high65 Ų6581.5 Ų81.535%0.34837%0.369SS..Hα-helixtrans-64.5-36.6179.1-77.8-27.6000112.7R265 V267 A273R265-N269 VanDerWaalsContact O-CB 3.23Å; R265-N269 WeakPolarHBondContact O-CB 3.48Å; R265-N269 PolarHBondContact O-N 2.98Å; R265-N269 PolarHBondContact O-ND2 3.5Å; R265-N269 VanDerWaalsContact O-ND2 3.16Å; V267-N269 VanDerWaalsContact C-N 3.32Å; V267-N269 PolarHBondContact O-N 3.1Å; N269-A273 WeakPolarHBondContact O-CB 3.27Å; N269-A273 PolarHBondContact O-N 3.36Å
270R91Very high90.8Very high171 Ų17175.7 Ų75.765%0.64534%0.342SS*.Hα-helixtrans-66.8-46.9174.3-74.1172.4-178.9-178.60.1111.3K266 V267 I268 A273 R274K266-R270 VanDerWaalsContact O-CG 3.29Å; K266-R270 WeakPolarHBondContact O-CG 3.38Å; K266-R270 PolarHBondContact O-N 2.99Å; V267-R270 PolarHBondContact O-N 3.46Å; I268-R270 VanDerWaalsContact C-N 3.33Å; I268-R270 PolarHBondContact O-N 3.41Å; R270-A273 PolarHBondContact O-N 3.4Å; R270-R274 WeakPolarHBondContact O-CG 3.36Å; R270-R274 PolarHBondContact O-N 3.16Å
271A92.3Very high90.7Very high2 Ų274.7 Ų74.72%0.01734%0.338CS..Hα-helixtrans-57.2-49.4174.500000111.2D226 I230 V267 I268 A273 R274 R275D226-A271 HydrophobicContact CB-CB 3.87Å; D226-A271 VanDerWaalsContact CG-CB 3.43Å; D226-A271 WeakPolarHBondContact OD1-CB 2.96Å; I230-A271 HydrophobicContact CD1-CB 4.43Å; V267-A271 PolarHBondContact O-N 3.4Å; I268-A271 PolarHBondContact O-N 3.4Å; A271-A273 VanDerWaalsContact C-N 3.33Å; A271-A273 PolarHBondContact O-N 2.98Å; A271-R274 PolarHBondContact O-N 3.42Å; A271-R274 VanDerWaalsContact O-N 3.16Å; A271-R275 WeakPolarHBondContact O-CG 3.43Å; A271-R275 PolarHBondContact O-N 2.93Å
272R91.2Very high90.8Very high140 Ų14074.1 Ų74.153%0.52833%0.333SS..Hα-helixtrans-57-44.6175.9-172.1-177.6-64-177.9-0.1111.9I268 R275 Q276I268-R272 WeakPolarHBondContact O-CB 3.5Å; I268-R272 PolarHBondContact O-N 3.35Å; R272-R275 PolarHBondContact O-N 2.91Å; R272-Q276 WeakPolarHBondContact O-CB 3.36Å; R272-Q276 VanDerWaalsContact O-CG 3.28Å; R272-Q276 WeakPolarHBondContact O-CG 3.46Å; R272-Q276 PolarHBondContact O-N 3.37Å
273A87.6Confident90.8Very high38 Ų3873 Ų7331%0.31433%0.327SS..Hα-helixtrans-63.8-41.6177.800000112.3N269 R270 A271 Q276 V277N269-A273 WeakPolarHBondContact O-CB 3.27Å; N269-A273 PolarHBondContact O-N 3.36Å; R270-A273 PolarHBondContact O-N 3.4Å; A271-A273 VanDerWaalsContact C-N 3.33Å; A271-A273 PolarHBondContact O-N 2.98Å; A273-Q276 PolarHBondContact O-N 3.02Å; A273-V277 WeakPolarHBondContact O-CG2 3.44Å; A273-V277 PolarHBondContact O-N 3.32Å
274R88.1Confident90.6Very high118 Ų11869.2 Ų69.245%0.44531%0.311SS..Hα-helixtrans-62.6-47.4174.7-71.4-168.5-67.4-142.61111.9L222 D226 R270 A271 Q276 V277 V278L222-R274 HydrophobicContact CD2-CB 4.29Å; D226-R274 IonicContact OD1-CZ 3.7Å; D226-R274 IonicContact OD1-NE 3.72Å; D226-R274 PolarHBondContact OD1-NE 3.04Å; D226-R274 IonicContact OD1-NH2 2.71Å; D226-R274 PolarHBondContact OD1-NH2 3.46Å; R270-R274 WeakPolarHBondContact O-CG 3.36Å; R270-R274 PolarHBondContact O-N 3.16Å; A271-R274 PolarHBondContact O-N 3.42Å; A271-R274 VanDerWaalsContact O-N 3.16Å; R274-Q276 VanDerWaalsContact C-N 3.33Å; R274-Q276 PolarHBondContact O-N 2.9Å; R274-V277 PolarHBondContact O-N 3.5Å; R274-V278 PolarHBondContact O-N 3.43Å
275R90.5Very high90.5Very high83 Ų8367.8 Ų67.831%0.31330%0.304SS..Hα-helixtrans-61.5-39.2177.3-68.1179.2-169.2-170.9-2.9112.2D226 N227 A271 R272 V278 K279D226-R275 IonicContact OD2-CZ 2.67Å; D226-R275 IonicContact OD2-NE 3.4Å; D226-R275 PolarHBondContact OD2-NE 3.42Å; D226-R275 IonicContact OD2-NH2 3.84Å; N227-R275 PolarHBondContact OD1-NH2 2.81Å; A271-R275 WeakPolarHBondContact O-CG 3.43Å; A271-R275 PolarHBondContact O-N 2.93Å; R272-R275 PolarHBondContact O-N 2.91Å; R275-V278 PolarHBondContact O-N 3.21Å; R275-K279 WeakPolarHBondContact O-CB 3.45Å; R275-K279 VanDerWaalsContact O-CG 3.31Å; R275-K279 WeakPolarHBondContact O-CG 3.11Å; R275-K279 PolarHBondContact O-N 3.43Å
276Q88.4Confident90.5Very high71 Ų7164.3 Ų64.333%0.33230%0.301SS..Hα-helixtrans-59.6-45.2174.8-80177.4-29.500111.8R272 A273 R274 K279 L280R272-Q276 WeakPolarHBondContact O-CB 3.36Å; R272-Q276 VanDerWaalsContact O-CG 3.28Å; R272-Q276 WeakPolarHBondContact O-CG 3.46Å; R272-Q276 PolarHBondContact O-N 3.37Å; A273-Q276 PolarHBondContact O-N 3.02Å; R274-Q276 VanDerWaalsContact C-N 3.33Å; R274-Q276 PolarHBondContact O-N 2.9Å; Q276-K279 PolarHBondContact O-N 3.16Å; Q276-L280 PolarHBondContact O-N 3.37Å; Q276-L280 VanDerWaalsContact O-N 3.13Å
277V84.8Confident90.5Very high63 Ų6359.6 Ų59.638%0.38228%0.282SS..Hα-helixtrans-61-50175.5174.70000109.7A273 R274 K279 L280 L281A273-V277 WeakPolarHBondContact O-CG2 3.44Å; A273-V277 PolarHBondContact O-N 3.32Å; R274-V277 PolarHBondContact O-N 3.5Å; V277-K279 VanDerWaalsContact C-N 3.35Å; V277-K279 PolarHBondContact O-N 3.13Å; V277-L280 VanDerWaalsContact O-CB 3.26Å; V277-L280 WeakPolarHBondContact O-CB 3.48Å; V277-L280 PolarHBondContact O-N 3.47Å; V277-L280 VanDerWaalsContact O-N 3.16Å; V277-L281 HydrophobicContact CG1-CD1 4.36Å; V277-L281 HydrophobicContact CG1-CG 4.48Å; V277-L281 VanDerWaalsContact O-CG 3.27Å; V277-L281 WeakPolarHBondContact O-CG 3.41Å; V277-L281 PolarHBondContact O-N 2.95Å
278V88.3Confident90.4Very high5 Ų558.2 Ų58.23%0.0327%0.273CS..Hα-helixtrans-63.5-37.9-179.1172.60000113.2I131 I218 L222 R274 R275 L280 L281 M282I131-V278 HydrophobicContact CD1-CG2 3.77Å; I218-V278 HydrophobicContact CG2-CB 4.24Å; I218-V278 HydrophobicContact CG2-CG1 3.65Å; I218-V278 HydrophobicContact CG2-CG2 3.51Å; L222-V278 HydrophobicContact CD1-CB 3.93Å; L222-V278 HydrophobicContact CD1-CG1 4.34Å; L222-V278 HydrophobicContact CD1-CG2 3.39Å; R274-V278 PolarHBondContact O-N 3.43Å; R275-V278 PolarHBondContact O-N 3.21Å; V278-L280 VanDerWaalsContact C-N 3.32Å; V278-L280 PolarHBondContact O-N 2.86Å; V278-L281 PolarHBondContact O-N 3.07Å; V278-L281 VanDerWaalsContact O-N 3.07Å; V278-M282 HydrophobicContact CG1-CE 4.3Å; V278-M282 HydrophobicContact CG1-CG 4.41Å; V278-M282 HydrophobicContact CG1-SD 4.47Å; V278-M282 WeakPolarHBondContact O-CG 3.41Å; V278-M282 PolarHBondContact O-N 2.82Å
279K90.1Very high90.4Very high128 Ų12856.4 Ų56.456%0.55727%0.266SS*.Hα-helixtrans-57-45.2173.2-78-176.8177.1-162.80112.2R275 Q276 V277 L281 M282 I283R275-K279 WeakPolarHBondContact O-CB 3.45Å; R275-K279 VanDerWaalsContact O-CG 3.31Å; R275-K279 WeakPolarHBondContact O-CG 3.11Å; R275-K279 PolarHBondContact O-N 3.43Å; Q276-K279 PolarHBondContact O-N 3.16Å; V277-K279 VanDerWaalsContact C-N 3.35Å; V277-K279 PolarHBondContact O-N 3.13Å; K279-L281 VanDerWaalsContact C-N 3.26Å; K279-L281 PolarHBondContact O-N 3.48Å; K279-M282 HydrophobicContact CB-CE 4.44Å; K279-M282 HydrophobicContact CG-CE 4.03Å; K279-M282 PolarHBondContact O-N 3.46Å; K279-I283 WeakPolarHBondContact O-CG1 3.36Å; K279-I283 PolarHBondContact O-N 3.22Å; K279-I283 VanDerWaalsContact O-N 3.09Å
280L87.2Confident90.6Very high10 Ų1055.8 Ų55.85%0.05227%0.267CS..Hα-helixtrans-55.1-44.9173.8166.566.2000111.2Q276 V277 V278 I283 I284 L332 Y333 M336Q276-L280 PolarHBondContact O-N 3.37Å; Q276-L280 VanDerWaalsContact O-N 3.13Å; V277-L280 VanDerWaalsContact O-CB 3.26Å; V277-L280 WeakPolarHBondContact O-CB 3.48Å; V277-L280 PolarHBondContact O-N 3.47Å; V277-L280 VanDerWaalsContact O-N 3.16Å; V278-L280 VanDerWaalsContact C-N 3.32Å; V278-L280 PolarHBondContact O-N 2.86Å; L280-I283 PolarHBondContact O-N 3.12Å; L280-I284 HydrophobicContact CD1-CD1 4.25Å; L280-I284 HydrophobicContact CG-CD1 4.26Å; L280-I284 WeakPolarHBondContact O-CG1 3.35Å; L280-I284 PolarHBondContact O-N 3.18Å; L280-I284 VanDerWaalsContact O-N 3.09Å; L280-L332 HydrophobicContact CD1-CB 3.44Å; L280-L332 VanDerWaalsContact CD1-CB 3.44Å; L280-L332 WeakPolarHBondContact CD1-O 3.39Å; L280-Y333 HydrophobicContact CD2-CD1 4.1Å; L280-M336 VanDerWaalsContact CA-SD 3.53Å; L280-M336 HydrophobicContact CB-CB 3.95Å; L280-M336 HydrophobicContact CB-CG 4.19Å; L280-M336 HydrophobicContact CB-SD 3.55Å; L280-M336 VanDerWaalsContact CB-SD 3.55Å; L280-M336 HydrophobicContact CD1-CB 4.16Å; L280-M336 HydrophobicContact CD1-CG 4.12Å; L280-M336 HydrophobicContact CD1-SD 4.14Å; L280-M336 HydrophobicContact CD2-CB 4.16Å; L280-M336 HydrophobicContact CG-CB 4.32Å; L280-M336 HydrophobicContact CG-SD 4.45Å
281L86.7Confident90.9Very high4 Ų449.1 Ų49.12%0.02124%0.243CC..Hα-helixtrans-71.7-37-175.2-49.8-174.4000112.9F123 R127 Y215 V277 V278 K279 I283 I284 V285F123-L281 HydrophobicContact CE1-CB 4.31Å; F123-L281 HydrophobicContact CE1-CD1 3.54Å; F123-L281 HydrophobicContact CE1-CD2 3.37Å; F123-L281 HydrophobicContact CE1-CG 3.82Å; F123-L281 HydrophobicContact CZ-CD1 3.78Å; F123-L281 HydrophobicContact CZ-CD2 3.27Å; F123-L281 HydrophobicContact CZ-CG 4.05Å; R127-L281 HydrophobicContact CB-CD1 4.04Å; R127-L281 HydrophobicContact CG-CD1 3.57Å; Y215-L281 HydrophobicContact CD1-CB 4.18Å; Y215-L281 HydrophobicContact CE1-CB 3.24Å; Y215-L281 HydrophobicContact CE1-CD1 3.76Å; Y215-L281 HydrophobicContact CE1-CG 4.11Å; Y215-L281 HydrophobicContact CE2-CB 4.47Å; Y215-L281 VanDerWaalsContact CZ-CB 3.44Å; Y215-L281 WeakPolarHBondContact OH-CB 3.43Å; V277-L281 HydrophobicContact CG1-CD1 4.36Å; V277-L281 HydrophobicContact CG1-CG 4.48Å; V277-L281 VanDerWaalsContact O-CG 3.27Å; V277-L281 WeakPolarHBondContact O-CG 3.41Å; V277-L281 PolarHBondContact O-N 2.95Å; V278-L281 PolarHBondContact O-N 3.07Å; V278-L281 VanDerWaalsContact O-N 3.07Å; K279-L281 VanDerWaalsContact C-N 3.26Å; K279-L281 PolarHBondContact O-N 3.48Å; L281-I283 VanDerWaalsContact C-N 3.29Å; L281-I283 PolarHBondContact O-N 3Å; L281-I284 HydrophobicContact CD2-CD1 4.33Å; L281-I284 WeakPolarHBondContact O-CB 3.34Å; L281-I284 PolarHBondContact O-N 3.41Å; L281-V285 PolarHBondContact O-N 3.05Å; L281-V285 VanDerWaalsContact O-N 3.12Å
282M91Very high91.2Very high65 Ų6549.8 Ų49.832%0.3225%0.245SC..Hα-helixtrans-61.1-40.9172.3-69.8-172.8-63.600111.3Y215 S219 V278 K279 I284 V285 V286Y215-M282 HydrophobicContact CD1-CG 4.08Å; Y215-M282 HydrophobicContact CG-CG 4.12Å; S219-M282 PolarHBondContact OG-SD 3.45Å; S219-M282 VanDerWaalsContact OG-SD 3.37Å; V278-M282 HydrophobicContact CG1-CE 4.3Å; V278-M282 HydrophobicContact CG1-CG 4.41Å; V278-M282 HydrophobicContact CG1-SD 4.47Å; V278-M282 WeakPolarHBondContact O-CG 3.41Å; V278-M282 PolarHBondContact O-N 2.82Å; K279-M282 HydrophobicContact CB-CE 4.44Å; K279-M282 HydrophobicContact CG-CE 4.03Å; K279-M282 PolarHBondContact O-N 3.46Å; M282-I284 VanDerWaalsContact C-N 3.32Å; M282-I284 PolarHBondContact O-N 3.34Å; M282-V285 PolarHBondContact O-N 3.28Å; M282-V286 WeakPolarHBondContact O-CG2 3.46Å; M282-V286 PolarHBondContact O-N 3.21Å
283I92.8Very high91.5Very high59 Ų5947.1 Ų47.130%0.30324%0.241SC..Hα-helixtrans-61.8-42.5176-69.4163.6000110.5K279 L280 L281 V285 V286 L287 L332 M336K279-I283 WeakPolarHBondContact O-CG1 3.36Å; K279-I283 PolarHBondContact O-N 3.22Å; K279-I283 VanDerWaalsContact O-N 3.09Å; L280-I283 PolarHBondContact O-N 3.12Å; L281-I283 VanDerWaalsContact C-N 3.29Å; L281-I283 PolarHBondContact O-N 3Å; I283-V285 VanDerWaalsContact C-N 3.3Å; I283-V285 PolarHBondContact O-N 3.21Å; I283-V286 PolarHBondContact O-N 2.98Å; I283-L287 HydrophobicContact CG2-CD1 3.85Å; I283-L287 HydrophobicContact CG2-CG 4.1Å; I283-L287 WeakPolarHBondContact O-CB 3.27Å; I283-L287 VanDerWaalsContact O-CG 3.27Å; I283-L287 WeakPolarHBondContact O-CG 3.13Å; I283-L287 PolarHBondContact O-N 3.29Å; I283-L332 HydrophobicContact CG2-CD1 4.09Å; I283-L332 HydrophobicContact CG2-CD2 3.85Å; I283-M336 HydrophobicContact CD1-CE 3.25Å; I283-M336 HydrophobicContact CD1-SD 4.21Å
284I88.4Confident91.9Very high7 Ų746.2 Ų46.24%0.03623%0.232CC..Hα-helixtrans-58.2-43.3176.7-67.5166.5000111.1L280 L281 M282 L287 F288 L332 Y333L280-I284 HydrophobicContact CD1-CD1 4.25Å; L280-I284 HydrophobicContact CG-CD1 4.26Å; L280-I284 WeakPolarHBondContact O-CG1 3.35Å; L280-I284 PolarHBondContact O-N 3.18Å; L280-I284 VanDerWaalsContact O-N 3.09Å; L281-I284 HydrophobicContact CD2-CD1 4.33Å; L281-I284 WeakPolarHBondContact O-CB 3.34Å; L281-I284 PolarHBondContact O-N 3.41Å; M282-I284 VanDerWaalsContact C-N 3.32Å; M282-I284 PolarHBondContact O-N 3.34Å; I284-L287 PolarHBondContact O-N 3.07Å; I284-F288 WeakPolarHBondContact O-CB 3.33Å; I284-F288 PolarHBondContact O-N 3.08Å; I284-L332 HydrophobicContact CG1-CD1 3.92Å; I284-Y333 HydrophobicContact CD1-CE1 3.63Å
285V90.9Very high92.4Very high8 Ų843.2 Ų43.25%0.04822%0.221CC..Hα-helixtrans-66.5-43.2176.9174.30000112.3L208 Y215 L281 M282 I283 L287 F288 A289L208-V285 HydrophobicContact CD1-CG1 3.95Å; Y215-V285 HydrophobicContact CD2-CB 4.35Å; Y215-V285 HydrophobicContact CD2-CG2 3.5Å; Y215-V285 HydrophobicContact CE2-CB 4.47Å; Y215-V285 HydrophobicContact CE2-CG2 3.26Å; L281-V285 PolarHBondContact O-N 3.05Å; L281-V285 VanDerWaalsContact O-N 3.12Å; M282-V285 PolarHBondContact O-N 3.28Å; I283-V285 VanDerWaalsContact C-N 3.3Å; I283-V285 PolarHBondContact O-N 3.21Å; V285-L287 VanDerWaalsContact C-N 3.32Å; V285-L287 PolarHBondContact O-N 3.16Å; V285-F288 PolarHBondContact O-N 3.11Å; V285-A289 WeakPolarHBondContact O-CB 3.43Å; V285-A289 PolarHBondContact O-N 3.01Å
286V94.4Very high92.7Very high93 Ų9339.9 Ų39.956%0.56421%0.208SC*.Hα-helixtrans-61.7-42.7177.3170.30000110.8M282 I283 A289 S290M282-V286 WeakPolarHBondContact O-CG2 3.46Å; M282-V286 PolarHBondContact O-N 3.21Å; I283-V286 PolarHBondContact O-N 2.98Å; V286-A289 PolarHBondContact O-N 3.44Å; V286-S290 WeakPolarHBondContact O-CB 3.42Å; V286-S290 PolarHBondContact O-N 2.83Å; V286-S290 PolarHBondContact O-OG 2.85Å
287L94.6Very high93.1Very high30 Ų3039.1 Ų39.116%0.15721%0.211CC..Hα-helixtrans-69.8-38.8177-66.1-179.3000112.2I283 I284 V285 A289 S290 F291 V328 L332I283-L287 HydrophobicContact CG2-CD1 3.85Å; I283-L287 HydrophobicContact CG2-CG 4.1Å; I283-L287 WeakPolarHBondContact O-CB 3.27Å; I283-L287 VanDerWaalsContact O-CG 3.27Å; I283-L287 WeakPolarHBondContact O-CG 3.13Å; I283-L287 PolarHBondContact O-N 3.29Å; I284-L287 PolarHBondContact O-N 3.07Å; V285-L287 VanDerWaalsContact C-N 3.32Å; V285-L287 PolarHBondContact O-N 3.16Å; L287-A289 VanDerWaalsContact C-N 3.31Å; L287-A289 PolarHBondContact O-N 3.35Å; L287-S290 PolarHBondContact O-N 3.19Å; L287-F291 HydrophobicContact CB-CD2 4.35Å; L287-F291 HydrophobicContact CB-CE2 4.43Å; L287-F291 HydrophobicContact CD2-CD1 4.46Å; L287-F291 HydrophobicContact CD2-CE1 3.9Å; L287-F291 HydrophobicContact CD2-CE2 4Å; L287-F291 HydrophobicContact CD2-CZ 3.65Å; L287-F291 WeakPolarHBondContact O-CB 3.45Å; L287-F291 WeakPolarHBondContact O-CG 3.35Å; L287-F291 PolarHBondContact O-N 3.08Å; L287-V328 HydrophobicContact CD1-CG1 3.78Å; L287-V328 HydrophobicContact CD1-CG2 3.99Å; L287-L332 HydrophobicContact CD1-CD1 3.66Å
288F92.3Very high93.6Very high4 Ų437.2 Ų37.22%0.01820%0.198CC..Hα-helixtrans-58.1-46.2171.8175.6-98.1000111A117 I120 Y204 P207 I284 V285 W292 N325A117-F288 HydrophobicContact CB-CE2 3.9Å; A117-F288 HydrophobicContact CB-CZ 3.82Å; I120-F288 HydrophobicContact CD1-CB 4.38Å; I120-F288 HydrophobicContact CD1-CD2 3.72Å; I120-F288 HydrophobicContact CD1-CE2 4.34Å; I120-F288 HydrophobicContact CD1-CG 4.2Å; Y204-F288 AromaticContact CD2-CE1 3.95Å; Y204-F288 HydrophobicContact CD2-CE1 3.95Å; Y204-F288 HydrophobicContact CD2-CZ 4.11Å; Y204-F288 HydrophobicContact CE2-CE1 4.42Å; P207-F288 HydrophobicContact CB-CE1 4.25Å; P207-F288 HydrophobicContact CB-CZ 4.48Å; I284-F288 WeakPolarHBondContact O-CB 3.33Å; I284-F288 PolarHBondContact O-N 3.08Å; V285-F288 PolarHBondContact O-N 3.11Å; F288-W292 AromaticContact CD2-CD1 3.71Å; F288-W292 AromaticContact CE2-CD1 3.84Å; F288-W292 WeakPolarHBondContact O-CB 3.26Å; F288-W292 PolarHBondContact O-N 3.49Å; F288-N325 WeakPolarHBondContact CA-ND2 3.23Å
289A95.4Very high93.9Very high20 Ų2037.6 Ų37.617%0.16520%0.201CC..Hα-helixtrans-61-54.617700000111.5Y204 L208 V285 V286 L287 L293Y204-A289 PolarHBondContact OH-O 2.95Å; L208-A289 HydrophobicContact CD1-CB 3.56Å; L208-A289 HydrophobicContact CD2-CB 3.93Å; L208-A289 HydrophobicContact CG-CB 4.41Å; V285-A289 WeakPolarHBondContact O-CB 3.43Å; V285-A289 PolarHBondContact O-N 3.01Å; V286-A289 PolarHBondContact O-N 3.44Å; L287-A289 VanDerWaalsContact C-N 3.31Å; L287-A289 PolarHBondContact O-N 3.35Å; A289-L293 VanDerWaalsContact O-CB 3.31Å; A289-L293 WeakPolarHBondContact O-CB 3.42Å; A289-L293 PolarHBondContact O-N 2.97Å
290S97Very high94.2Very high52 Ų5233.5 Ų33.536%0.36419%0.186SC..Hα-helixtrans-76-37.2-170.166.40000113.6V286 L287 P294V286-S290 WeakPolarHBondContact O-CB 3.42Å; V286-S290 PolarHBondContact O-N 2.83Å; V286-S290 PolarHBondContact O-OG 2.85Å; L287-S290 PolarHBondContact O-N 3.19Å; S290-P294 VanDerWaalsContact O-CD 3.27Å; S290-P294 WeakPolarHBondContact O-CD 3.48Å
291F97.7Very high94.6Very high32 Ų3239 Ų3914%0.1421%0.207CC..Hα-helixtrans-78.4-31.2-176.1-73.3-1.2000113.1L287 M321 A322 L324 N325 V328L287-F291 HydrophobicContact CB-CD2 4.35Å; L287-F291 HydrophobicContact CB-CE2 4.43Å; L287-F291 HydrophobicContact CD2-CD1 4.46Å; L287-F291 HydrophobicContact CD2-CE1 3.9Å; L287-F291 HydrophobicContact CD2-CE2 4Å; L287-F291 HydrophobicContact CD2-CZ 3.65Å; L287-F291 WeakPolarHBondContact O-CB 3.45Å; L287-F291 WeakPolarHBondContact O-CG 3.35Å; L287-F291 PolarHBondContact O-N 3.08Å; F291-M321 HydrophobicContact CB-CB 4.5Å; F291-M321 WeakPolarHBondContact CB-O 3.47Å; F291-M321 HydrophobicContact CD1-SD 4.08Å; F291-M321 HydrophobicContact CE1-SD 4.21Å; F291-M321 CarbonylContact O-C 3.55Å; F291-M321 VanDerWaalsContact O-CB 3.29Å; F291-M321 WeakPolarHBondContact O-CB 3.46Å; F291-A322 PolarHBondContact O-N 3.39Å; F291-L324 HydrophobicContact CD2-CB 4.16Å; F291-L324 HydrophobicContact CD2-CD2 4.39Å; F291-L324 HydrophobicContact CD2-CG 4.21Å; F291-L324 HydrophobicContact CE1-CD2 4.33Å; F291-L324 HydrophobicContact CE2-CB 4.06Å; F291-L324 HydrophobicContact CE2-CD2 3.62Å; F291-L324 HydrophobicContact CE2-CG 3.59Å; F291-L324 HydrophobicContact CZ-CD2 3.57Å; F291-L324 HydrophobicContact CZ-CG 4.09Å; F291-N325 HydrophobicContact CB-CB 4.07Å; F291-N325 HydrophobicContact CD2-CB 4.12Å; F291-V328 HydrophobicContact CE2-CG1 4.29Å
292W97Very high94.9Very high15 Ų1539.5 Ų39.56%0.05721%0.209CC..Hα-helixtrans-81.1-21.2173.4-80.1101.8000113.3V113 Y204 F288 Y295 R296 A322 N325V113-W292 HydrophobicContact CB-CH2 4.03Å; V113-W292 HydrophobicContact CB-CZ2 4.19Å; V113-W292 HydrophobicContact CG1-CE3 4.49Å; V113-W292 HydrophobicContact CG1-CH2 3.44Å; V113-W292 VanDerWaalsContact CG1-CH2 3.44Å; V113-W292 HydrophobicContact CG1-CZ2 3.52Å; V113-W292 HydrophobicContact CG1-CZ3 3.94Å; V113-W292 HydrophobicContact CG2-CH2 3.32Å; V113-W292 HydrophobicContact CG2-CZ2 3.68Å; V113-W292 HydrophobicContact CG2-CZ3 4.33Å; Y204-W292 HydrophobicContact CD2-CB 4.01Å; Y204-W292 HydrophobicContact CE2-CB 3.71Å; F288-W292 AromaticContact CD2-CD1 3.71Å; F288-W292 AromaticContact CE2-CD1 3.84Å; F288-W292 WeakPolarHBondContact O-CB 3.26Å; F288-W292 PolarHBondContact O-N 3.49Å; W292-Y295 HydrophobicContact CE3-CD1 4.17Å; W292-Y295 AromaticContact CZ3-CD1 3.96Å; W292-Y295 HydrophobicContact CZ3-CD1 3.96Å; W292-Y295 HydrophobicContact CZ3-CE1 4.43Å; W292-Y295 PolarHBondContact O-N 3.21Å; W292-R296 HydrophobicContact CB-CG 4.3Å; W292-R296 WeakPolarHBondContact O-CB 3.21Å; W292-R296 VanDerWaalsContact O-CG 3.29Å; W292-R296 WeakPolarHBondContact O-CG 3.42Å; W292-R296 PolarHBondContact O-N 2.98Å; W292-A322 HydrophobicContact CD2-CB 4.3Å; W292-A322 HydrophobicContact CE3-CB 3.93Å; W292-A322 HydrophobicContact CH2-CB 3.86Å; W292-A322 HydrophobicContact CZ2-CB 4.26Å; W292-A322 HydrophobicContact CZ3-CB 3.71Å; W292-N325 PolarHBondContact NE1-OD1 2.77Å
293L97.7Very high95Very high84 Ų8436.9 Ų36.944%0.4420%0.198SC..Hα-helixtrans-56.1-47-174.2-178.264.9000113.9A289 Y295 R296 S297A289-L293 VanDerWaalsContact O-CB 3.31Å; A289-L293 WeakPolarHBondContact O-CB 3.42Å; A289-L293 PolarHBondContact O-N 2.97Å; L293-Y295 PolarHBondContact O-N 3.4Å; L293-R296 PolarHBondContact O-N 3.42Å; L293-S297 WeakPolarHBondContact CD1-OG 3.17Å; L293-S297 WeakPolarHBondContact O-CB 3.44Å; L293-S297 PolarHBondContact O-N 3.42Å; L293-S297 PolarHBondContact O-OG 3.4Å
294P97.7Very high95Very high19 Ų1940 Ų4012%0.12321%0.209CC..Hα-helixtrans-60.8-45.5-179-24.835.1000112.4S290 S297 M298 F317 S318 M321S290-P294 VanDerWaalsContact O-CD 3.27Å; S290-P294 WeakPolarHBondContact O-CD 3.48Å; P294-S297 PolarHBondContact O-N 2.67Å; P294-M298 WeakPolarHBondContact O-CB 3.16Å; P294-M298 PolarHBondContact O-N 3.44Å; P294-F317 HydrophobicContact CB-CD1 4.32Å; P294-F317 HydrophobicContact CB-CE1 3.99Å; P294-F317 HydrophobicContact CG-CE1 3.84Å; P294-F317 HydrophobicContact CG-CZ 4.46Å; P294-S318 WeakPolarHBondContact CB-OG 3.48Å; P294-M321 HydrophobicContact CG-CB 4.46Å; P294-M321 HydrophobicContact CG-CG 4.39Å
295Y96.9Very high95.2Very high55 Ų5541.4 Ų41.422%0.21622%0.22CC..Hα-helixtrans-65.4-47.4178.2-178.3-94.6000111.7W292 L293 S297 M298 V299 R319W292-Y295 HydrophobicContact CE3-CD1 4.17Å; W292-Y295 AromaticContact CZ3-CD1 3.96Å; W292-Y295 HydrophobicContact CZ3-CD1 3.96Å; W292-Y295 HydrophobicContact CZ3-CE1 4.43Å; W292-Y295 PolarHBondContact O-N 3.21Å; L293-Y295 PolarHBondContact O-N 3.4Å; Y295-S297 VanDerWaalsContact C-N 3.35Å; Y295-S297 PolarHBondContact O-N 2.9Å; Y295-M298 HydrophobicContact CD2-CE 3.89Å; Y295-M298 HydrophobicContact CE2-CE 4.11Å; Y295-M298 WeakPolarHBondContact O-CB 3.44Å; Y295-M298 PolarHBondContact O-N 2.91Å; Y295-V299 HydrophobicContact CD1-CG2 4.2Å; Y295-V299 HydrophobicContact CE1-CG2 3.77Å; Y295-V299 HydrophobicContact CE2-CG2 4.47Å; Y295-V299 WeakPolarHBondContact O-CG2 3.2Å; Y295-V299 PolarHBondContact O-N 2.9Å; Y295-R319 HydrophobicContact CD2-CG 4.49Å
296R96.9Very high94.9Very high14 Ų1449.1 Ų49.15%0.05326%0.26CS..Hα-helixtrans-61.3-43.2178.2-68.8-62.5-174.9-1793.1111.6D199 L200 Y204 W292 L293 V299 V300D199-R296 IonicContact OD2-CZ 2.9Å; D199-R296 IonicContact OD2-NH1 2.62Å; D199-R296 PolarHBondContact OD2-NH1 2.9Å; D199-R296 IonicContact OD2-NH2 3.41Å; D199-R296 PolarHBondContact OD2-NH2 3.17Å; L200-R296 HydrophobicContact CD1-CB 3.91Å; L200-R296 HydrophobicContact CD1-CG 4.2Å; Y204-R296 HydrophobicContact CD1-CG 4.35Å; Y204-R296 HydrophobicContact CD2-CG 4.21Å; Y204-R296 HydrophobicContact CE2-CG 4.5Å; Y204-R296 HydrophobicContact CG-CG 4.13Å; W292-R296 HydrophobicContact CB-CG 4.3Å; W292-R296 WeakPolarHBondContact O-CB 3.21Å; W292-R296 VanDerWaalsContact O-CG 3.29Å; W292-R296 WeakPolarHBondContact O-CG 3.42Å; W292-R296 PolarHBondContact O-N 2.98Å; L293-R296 PolarHBondContact O-N 3.42Å; R296-V299 PolarHBondContact O-N 3.44Å; R296-V300 WeakPolarHBondContact O-CG2 3.28Å; R296-V300 PolarHBondContact O-N 2.96Å
297S96.6Very high94.6Very high55 Ų5552.4 Ų52.439%0.38527%0.269SS..Hα-helixtrans-62.8-43.5176.7-56.70000111.7L293 P294 Y295 V299 V300 Y301L293-S297 WeakPolarHBondContact CD1-OG 3.17Å; L293-S297 WeakPolarHBondContact O-CB 3.44Å; L293-S297 PolarHBondContact O-N 3.42Å; L293-S297 PolarHBondContact O-OG 3.4Å; P294-S297 PolarHBondContact O-N 2.67Å; Y295-S297 VanDerWaalsContact C-N 3.35Å; Y295-S297 PolarHBondContact O-N 2.9Å; S297-V299 PolarHBondContact O-N 3.16Å; S297-V300 PolarHBondContact O-N 3.24Å; S297-Y301 WeakPolarHBondContact O-CB 3.39Å; S297-Y301 PolarHBondContact O-N 3.39Å
298M95.8Very high94.1Very high22 Ų2252.2 Ų52.211%0.10827%0.274CS..Hα-helixtrans-60.8-43.4175.7-173.8-176.362.800111.9P294 Y295 N302 F314 R315P294-M298 WeakPolarHBondContact O-CB 3.16Å; P294-M298 PolarHBondContact O-N 3.44Å; Y295-M298 HydrophobicContact CD2-CE 3.89Å; Y295-M298 HydrophobicContact CE2-CE 4.11Å; Y295-M298 WeakPolarHBondContact O-CB 3.44Å; Y295-M298 PolarHBondContact O-N 2.91Å; M298-N302 VanDerWaalsContact O-CB 3.27Å; M298-N302 WeakPolarHBondContact O-CB 3.32Å; M298-N302 PolarHBondContact O-N 2.96Å; M298-N302 PolarHBondContact O-ND2 3.22Å; M298-F314 HydrophobicContact CB-CE1 4.06Å; M298-F314 HydrophobicContact CG-CE1 4.27Å; M298-F314 HydrophobicContact SD-CD1 4.34Å; M298-F314 HydrophobicContact SD-CE1 4.46Å; M298-R315 HydrophobicContact CE-CG 4.34Å; M298-R315 HydrophobicContact SD-CB 4.24Å; M298-R315 HydrophobicContact SD-CG 4.24Å
299V95.2Very high93.9Very high14 Ų1457 Ų579%0.08529%0.293CS..Hα-helixtrans-63.6-43.4177.7171.30000111.1R189 Y196 Y295 R296 S297 S303R189-V299 PolarHBondContact NH2-O 3.35Å; R189-V299 VanDerWaalsContact NH2-O 3.12Å; Y196-V299 HydrophobicContact CD1-CG1 4.06Å; Y196-V299 HydrophobicContact CD2-CG1 4.19Å; Y196-V299 HydrophobicContact CG-CG1 3.83Å; Y295-V299 HydrophobicContact CD1-CG2 4.2Å; Y295-V299 HydrophobicContact CE1-CG2 3.77Å; Y295-V299 HydrophobicContact CE2-CG2 4.47Å; Y295-V299 WeakPolarHBondContact O-CG2 3.2Å; Y295-V299 PolarHBondContact O-N 2.9Å; R296-V299 PolarHBondContact O-N 3.44Å; S297-V299 PolarHBondContact O-N 3.16Å; V299-S303 WeakPolarHBondContact O-CB 3.3Å; V299-S303 PolarHBondContact O-N 3.38Å; V299-S303 VanDerWaalsContact O-N 3.11Å; V299-S303 PolarHBondContact O-OG 2.94Å
300V95.5Very high93.5Very high42 Ų4261.9 Ų61.926%0.25531%0.312SS..Hα-helixtrans-63.5-55177.4171.10000110.8M197 L200 R296 S297 N302 S303 F304M197-V300 HydrophobicContact CE-CG1 4.48Å; M197-V300 HydrophobicContact CE-CG2 4.24Å; L200-V300 HydrophobicContact CD1-CG2 4.38Å; L200-V300 HydrophobicContact CD2-CG2 3.55Å; R296-V300 WeakPolarHBondContact O-CG2 3.28Å; R296-V300 PolarHBondContact O-N 2.96Å; S297-V300 PolarHBondContact O-N 3.24Å; V300-N302 VanDerWaalsContact C-N 3.31Å; V300-N302 PolarHBondContact O-N 2.96Å; V300-S303 WeakPolarHBondContact O-CA 3.23Å; V300-S303 WeakPolarHBondContact O-CB 3.49Å; V300-S303 PolarHBondContact O-N 3.3Å; V300-F304 HydrophobicContact CG1-CD2 4.1Å; V300-F304 HydrophobicContact CG1-CE2 4.08Å; V300-F304 VanDerWaalsContact O-CD2 3.28Å; V300-F304 WeakPolarHBondContact O-CD2 3.33Å; V300-F304 PolarHBondContact O-N 3.35Å
301Y95.4Very high93.3Very high126 Ų12662.5 Ų62.549%0.49431%0.311SS..Hα-helixtrans-52.6-50.7179.8177.9-89000111.1S297 S303 F304 S305S297-Y301 WeakPolarHBondContact O-CB 3.39Å; S297-Y301 PolarHBondContact O-N 3.39Å; Y301-S303 PolarHBondContact O-N 2.97Å; Y301-F304 PolarHBondContact O-N 3.18Å; Y301-F304 VanDerWaalsContact O-N 3.13Å; Y301-S305 WeakPolarHBondContact O-CB 3.21Å; Y301-S305 PolarHBondContact O-N 3.06Å
302N94Very high93.1Very high13 Ų1363.9 Ų63.97%0.0732%0.32CS..Hα-helixtrans-69.7-14.4-179.4-73.6-17.7000113.9R189 M298 V300 G308 Y309R189-N302 VanDerWaalsContact CD-O 3.26Å; R189-N302 WeakPolarHBondContact CD-O 3.46Å; R189-N302 PolarHBondContact NE-O 3.02Å; R189-N302 VanDerWaalsContact NH1-CB 3.32Å; M298-N302 VanDerWaalsContact O-CB 3.27Å; M298-N302 WeakPolarHBondContact O-CB 3.32Å; M298-N302 PolarHBondContact O-N 2.96Å; M298-N302 PolarHBondContact O-ND2 3.22Å; V300-N302 VanDerWaalsContact C-N 3.31Å; V300-N302 PolarHBondContact O-N 2.96Å; N302-G308 WeakPolarHBondContact OD1-CA 3.31Å; N302-Y309 PolarHBondContact ND2-O 2.95Å; N302-Y309 PolarHBondContact OD1-N 2.89Å; N302-Y309 PolarHBondContact OD1-O 3.41Å
303S92.9Very high93.1Very high11 Ų1169 Ų698%0.07734%0.339CS..Hα-helixtrans-81.3-25.2174.1-600000112.5K193 V299 V300 Y301K193-S303 WeakPolarHBondContact CE-O 3.46Å; K193-S303 PolarHBondContact NZ-O 2.93Å; V299-S303 WeakPolarHBondContact O-CB 3.3Å; V299-S303 PolarHBondContact O-N 3.38Å; V299-S303 VanDerWaalsContact O-N 3.11Å; V299-S303 PolarHBondContact O-OG 2.94Å; V300-S303 WeakPolarHBondContact O-CA 3.23Å; V300-S303 WeakPolarHBondContact O-CB 3.49Å; V300-S303 PolarHBondContact O-N 3.3Å; Y301-S303 PolarHBondContact O-N 2.97Å
304F93.2Very high93.1Very high124 Ų12468.2 Ų68.254%0.54433%0.332SS..Hα-helixtrans-106.9-23.1-180-65.4-77.2000113.7K193 M197 V300 Y301K193-F304 HydrophobicContact CD-CD1 4.5Å; K193-F304 HydrophobicContact CD-CE1 4.03Å; M197-F304 HydrophobicContact CE-CD2 4.15Å; M197-F304 HydrophobicContact CE-CE2 3.29Å; M197-F304 HydrophobicContact CE-CZ 3.82Å; M197-F304 HydrophobicContact CG-CZ 4.36Å; M197-F304 HydrophobicContact SD-CE2 3.7Å; M197-F304 HydrophobicContact SD-CZ 3.91Å; V300-F304 HydrophobicContact CG1-CD2 4.1Å; V300-F304 HydrophobicContact CG1-CE2 4.08Å; V300-F304 VanDerWaalsContact O-CD2 3.28Å; V300-F304 WeakPolarHBondContact O-CD2 3.33Å; V300-F304 PolarHBondContact O-N 3.35Å; Y301-F304 PolarHBondContact O-N 3.18Å; Y301-F304 VanDerWaalsContact O-N 3.13Å
305S91.2Very high93Very high37 Ų3769.1 Ų69.126%0.25933%0.333SS..  trans-73.2140.5177.7-170.80000112.4Y301 H307Y301-S305 WeakPolarHBondContact O-CB 3.21Å; Y301-S305 PolarHBondContact O-N 3.06Å; S305-H307 VanDerWaalsContact OG-C 3.28Å; S305-H307 PolarHBondContact OG-N 3.39Å; S305-H307 PolarHBondContact OG-O 3.43Å
306L86.6Confident92.9Very high169 Ų16966.8 Ų66.889%0.88532%0.324SS*.SBendtrans-71.8-41.7169.3-66173.1000111.3
307H86.2Confident93Very high163 Ų16370.7 Ų70.776%0.75534%0.342SS*.SBendtrans-104.998.9173.5-56.5-68.3000107.9S305S305-H307 VanDerWaalsContact OG-C 3.28Å; S305-H307 PolarHBondContact OG-N 3.39Å; S305-H307 PolarHBondContact OG-O 3.43Å
308G85.5Confident93.1Very high26 Ų2668 Ų6827%0.26832%0.323SS..  trans-55.3143.3178.200000111.6N302 H310N302-G308 WeakPolarHBondContact OD1-CA 3.31Å; G308-H310 VanDerWaalsContact C-CD2 3.43Å; G308-H310 PolarHBondContact O-CD2 3.05Å; G308-H310 PolarHBondContact O-N 2.84Å
309Y87.2Confident93.1Very high104 Ų10469 Ų6941%0.40833%0.326SS..  trans-77.3113.2167.6-170.1-97.6000109.4N302 D311 F314N302-Y309 PolarHBondContact ND2-O 2.95Å; N302-Y309 PolarHBondContact OD1-N 2.89Å; N302-Y309 PolarHBondContact OD1-O 3.41Å; Y309-D311 HydrophobicContact CD1-CB 4.36Å; Y309-D311 HydrophobicContact CE1-CB 3.57Å; Y309-D311 HydrophobicContact CE2-CB 4.31Å; Y309-D311 WeakPolarHBondContact OH-CB 3.5Å; Y309-F314 AromaticContact CD1-CD1 3.86Å; Y309-F314 HydrophobicContact CD1-CD1 3.86Å; Y309-F314 HydrophobicContact CD1-CE1 4.42Å; Y309-F314 HydrophobicContact CE1-CB 3.72Å; Y309-F314 AromaticContact CE1-CD1 3.46Å; Y309-F314 HydrophobicContact CE1-CD1 3.46Å; Y309-F314 VanDerWaalsContact CE1-CD1 3.46Å; Y309-F314 HydrophobicContact CE1-CE1 4.25Å; Y309-F314 AromaticContact CE1-CG 3.72Å; Y309-F314 HydrophobicContact CE1-CG 3.72Å
310H87Confident93.2Very high123 Ų12369.3 Ų69.357%0.56933%0.327SS*.  trans-123.321.1-172.1-65.3-65.2000113.4G308 L312G308-H310 VanDerWaalsContact C-CD2 3.43Å; G308-H310 PolarHBondContact O-CD2 3.05Å; G308-H310 PolarHBondContact O-N 2.84Å; H310-L312 PolarHBondContact O-N 3.22Å
311D93.9Very high93.4Very high65 Ų6569.1 Ų69.135%0.34832%0.324SS..  trans-58.8126.2175.3176.758.7000111.4Y309 W313 F314 R315Y309-D311 HydrophobicContact CD1-CB 4.36Å; Y309-D311 HydrophobicContact CE1-CB 3.57Å; Y309-D311 HydrophobicContact CE2-CB 4.31Å; Y309-D311 WeakPolarHBondContact OH-CB 3.5Å; D311-W313 PolarHBondContact OD2-N 3.44Å; D311-F314 HydrophobicContact CB-CB 4.25Å; D311-F314 VanDerWaalsContact OD2-CB 3.28Å; D311-F314 WeakPolarHBondContact OD2-CB 3.49Å; D311-F314 PolarHBondContact OD2-N 3.35Å; D311-R315 VanDerWaalsContact O-CB 3.31Å; D311-R315 WeakPolarHBondContact O-CB 3.38Å; D311-R315 PolarHBondContact O-N 3.38Å
312L93Very high93.5Very high61 Ų6163.2 Ų63.232%0.31930%0.301SS..Hα-helixtrans-67.7-42.4-173.3-63.5-179.5000111.3Y26 Y92 H310 R315 M316Y26-L312 HydrophobicContact CD2-CB 4.38Å; Y26-L312 HydrophobicContact CE2-CB 3.86Å; Y26-L312 WeakPolarHBondContact CE2-O 3.35Å; Y92-L312 HydrophobicContact CE2-CD2 3.68Å; H310-L312 PolarHBondContact O-N 3.22Å; L312-R315 VanDerWaalsContact CD2-NH2 3.3Å; L312-R315 PolarHBondContact O-N 3.37Å; L312-M316 WeakPolarHBondContact O-CB 3.28Å; L312-M316 PolarHBondContact O-N 2.92Å
313W96.9Very high93.6Very high123 Ų12363.2 Ų63.247%0.46630%0.3SS..Hα-helixtrans-65.5-45.5-177.1-74.7102.9000111.7P25 Y26 V29 D311 R315 M316 F317P25-W313 HydrophobicContact CB-CH2 4.3Å; P25-W313 HydrophobicContact CB-CZ2 4.38Å; Y26-W313 HydrophobicContact CD2-CD2 4.29Å; Y26-W313 HydrophobicContact CD2-CE3 4.44Å; V29-W313 HydrophobicContact CB-CZ3 4.27Å; V29-W313 HydrophobicContact CG1-CZ3 4.32Å; V29-W313 HydrophobicContact CG2-CH2 4.33Å; V29-W313 HydrophobicContact CG2-CZ3 4.24Å; D311-W313 PolarHBondContact OD2-N 3.44Å; W313-R315 VanDerWaalsContact C-N 3.34Å; W313-R315 PolarHBondContact O-N 3.49Å; W313-M316 HydrophobicContact CD2-CE 4.46Å; W313-M316 HydrophobicContact CE3-CE 3.4Å; W313-M316 VanDerWaalsContact CE3-CE 3.4Å; W313-M316 HydrophobicContact CH2-CE 4.41Å; W313-M316 HydrophobicContact CZ3-CE 3.38Å; W313-M316 PolarHBondContact O-N 3.07Å; W313-F317 WeakPolarHBondContact O-CB 3.35Å; W313-F317 PolarHBondContact O-N 3.13Å
314F97.2Very high93.8Very high67 Ų6765.2 Ų65.229%0.29431%0.31SS..Hα-helixtrans-65.1-37.5175.3-175.8-103.8000112.5M298 Y309 D311 F317 S318M298-F314 HydrophobicContact CB-CE1 4.06Å; M298-F314 HydrophobicContact CG-CE1 4.27Å; M298-F314 HydrophobicContact SD-CD1 4.34Å; M298-F314 HydrophobicContact SD-CE1 4.46Å; Y309-F314 AromaticContact CD1-CD1 3.86Å; Y309-F314 HydrophobicContact CD1-CD1 3.86Å; Y309-F314 HydrophobicContact CD1-CE1 4.42Å; Y309-F314 HydrophobicContact CE1-CB 3.72Å; Y309-F314 AromaticContact CE1-CD1 3.46Å; Y309-F314 HydrophobicContact CE1-CD1 3.46Å; Y309-F314 VanDerWaalsContact CE1-CD1 3.46Å; Y309-F314 HydrophobicContact CE1-CE1 4.25Å; Y309-F314 AromaticContact CE1-CG 3.72Å; Y309-F314 HydrophobicContact CE1-CG 3.72Å; D311-F314 HydrophobicContact CB-CB 4.25Å; D311-F314 VanDerWaalsContact OD2-CB 3.28Å; D311-F314 WeakPolarHBondContact OD2-CB 3.49Å; D311-F314 PolarHBondContact OD2-N 3.35Å; F314-F317 HydrophobicContact CD2-CD1 4.25Å; F314-F317 HydrophobicContact CE2-CD1 4.27Å; F314-F317 PolarHBondContact O-N 3.16Å; F314-S318 VanDerWaalsContact O-CB 3.32Å; F314-S318 WeakPolarHBondContact O-CB 3.32Å; F314-S318 PolarHBondContact O-N 3.3Å; F314-S318 PolarHBondContact O-OG 2.96Å
315R95.4Very high94Very high38 Ų3859.3 Ų59.314%0.14328%0.284CS..Hα-helixtrans-64.1-42.5174.6-175.2177.567.5168.29.5111.6Y22 Y92 M298 D311 L312 W313 S318 R319Y22-R315 PolarHBondContact OH-NH2 3.46Å; Y92-R315 PolarHBondContact OH-NH1 2.92Å; Y92-R315 PolarHBondContact OH-NH2 2.92Å; M298-R315 HydrophobicContact CE-CG 4.34Å; M298-R315 HydrophobicContact SD-CB 4.24Å; M298-R315 HydrophobicContact SD-CG 4.24Å; D311-R315 VanDerWaalsContact O-CB 3.31Å; D311-R315 WeakPolarHBondContact O-CB 3.38Å; D311-R315 PolarHBondContact O-N 3.38Å; L312-R315 VanDerWaalsContact CD2-NH2 3.3Å; L312-R315 PolarHBondContact O-N 3.37Å; W313-R315 VanDerWaalsContact C-N 3.34Å; W313-R315 PolarHBondContact O-N 3.49Å; R315-S318 PolarHBondContact O-N 2.96Å; R315-R319 WeakPolarHBondContact O-CG 3.44Å; R315-R319 PolarHBondContact O-N 3.41Å; R315-R319 VanDerWaalsContact O-N 3.07Å
316M96.4Very high94.2Very high5 Ų557.6 Ų57.63%0.02527%0.272CS..Hα-helixtrans-62.7-49.5174.1-177172.267.900110.9Y26 V29 G30 M84 F88 L312 W313 S318 R319 I320Y26-M316 HydrophobicContact CD2-CE 3.99Å; Y26-M316 HydrophobicContact CD2-SD 3.97Å; Y26-M316 HydrophobicContact CE1-SD 4.35Å; Y26-M316 HydrophobicContact CE2-CB 3.64Å; Y26-M316 HydrophobicContact CE2-CE 4.09Å; Y26-M316 HydrophobicContact CE2-CG 4.24Å; Y26-M316 HydrophobicContact CE2-SD 3.74Å; Y26-M316 HydrophobicContact CG-SD 4.38Å; V29-M316 HydrophobicContact CB-CE 4.04Å; V29-M316 HydrophobicContact CG1-CE 3.61Å; V29-M316 HydrophobicContact CG1-SD 4.49Å; G30-M316 VanDerWaalsContact CA-SD 3.57Å; M84-M316 HydrophobicContact CE-CG 4.25Å; F88-M316 HydrophobicContact CZ-SD 4.42Å; L312-M316 WeakPolarHBondContact O-CB 3.28Å; L312-M316 PolarHBondContact O-N 2.92Å; W313-M316 HydrophobicContact CD2-CE 4.46Å; W313-M316 HydrophobicContact CE3-CE 3.4Å; W313-M316 VanDerWaalsContact CE3-CE 3.4Å; W313-M316 HydrophobicContact CH2-CE 4.41Å; W313-M316 HydrophobicContact CZ3-CE 3.38Å; W313-M316 PolarHBondContact O-N 3.07Å; M316-S318 VanDerWaalsContact C-N 3.31Å; M316-S318 PolarHBondContact O-N 3.28Å; M316-R319 PolarHBondContact O-N 3.05Å; M316-I320 HydrophobicContact CG-CD1 3.63Å; M316-I320 HydrophobicContact CG-CG1 4.23Å; M316-I320 WeakPolarHBondContact O-CB 3.25Å; M316-I320 VanDerWaalsContact O-CG1 3.28Å; M316-I320 WeakPolarHBondContact O-CG1 3.32Å; M316-I320 PolarHBondContact O-N 3.03Å; M316-I320 HydrophobicContact SD-CD1 4.38Å
317F97.8Very high94.6Very high96 Ų9649.7 Ų49.742%0.42123%0.231SC..Hα-helixtrans-53.7-47.9175.6169.6-103.9000111.9P294 W313 F314 R319 I320 M321P294-F317 HydrophobicContact CB-CD1 4.32Å; P294-F317 HydrophobicContact CB-CE1 3.99Å; P294-F317 HydrophobicContact CG-CE1 3.84Å; P294-F317 HydrophobicContact CG-CZ 4.46Å; W313-F317 WeakPolarHBondContact O-CB 3.35Å; W313-F317 PolarHBondContact O-N 3.13Å; F314-F317 HydrophobicContact CD2-CD1 4.25Å; F314-F317 HydrophobicContact CE2-CD1 4.27Å; F314-F317 PolarHBondContact O-N 3.16Å; F317-R319 PolarHBondContact O-N 3.27Å; F317-I320 PolarHBondContact O-N 3.22Å; F317-M321 HydrophobicContact CD2-CG 4.2Å; F317-M321 HydrophobicContact CE1-CG 4.2Å; F317-M321 HydrophobicContact CE2-CE 4.09Å; F317-M321 HydrophobicContact CE2-CG 3.75Å; F317-M321 HydrophobicContact CE2-SD 4.07Å; F317-M321 HydrophobicContact CZ-CG 3.74Å; F317-M321 HydrophobicContact CZ-SD 4.27Å; F317-M321 WeakPolarHBondContact O-CG 3.45Å; F317-M321 PolarHBondContact O-N 3.49Å
318S97.9Very high95.1Very high0 Ų043 Ų430%020%0.201CC..Hα-helixtrans-61.7-42.3-179.9-63.20000112.7P294 F314 R315 M316 A322P294-S318 WeakPolarHBondContact CB-OG 3.48Å; F314-S318 VanDerWaalsContact O-CB 3.32Å; F314-S318 WeakPolarHBondContact O-CB 3.32Å; F314-S318 PolarHBondContact O-N 3.3Å; F314-S318 PolarHBondContact O-OG 2.96Å; R315-S318 PolarHBondContact O-N 2.96Å; M316-S318 VanDerWaalsContact C-N 3.31Å; M316-S318 PolarHBondContact O-N 3.28Å; S318-A322 PolarHBondContact O-N 3.34Å; S318-A322 VanDerWaalsContact O-N 3.11Å
319R96.9Very high95.3Very high41 Ų4141.8 Ų41.816%0.15519%0.189CC..Hα-helixtrans-69.6-41.8176.4-70.1173.978.1-175.72.2111.6M84 E87 Y295 R315 M316 F317 M321 A322 F323M84-R319 HydrophobicContact CE-CB 3.81Å; M84-R319 HydrophobicContact CE-CG 4.29Å; M84-R319 HydrophobicContact SD-CB 3.65Å; M84-R319 HydrophobicContact SD-CG 4.22Å; M84-R319 PolarHBondContact SD-NE 3.48Å; E87-R319 IonicContact OE1-NH1 3.57Å; E87-R319 IonicContact OE2-CZ 3.2Å; E87-R319 IonicContact OE2-NH1 2.9Å; E87-R319 PolarHBondContact OE2-NH1 2.86Å; E87-R319 IonicContact OE2-NH2 2.79Å; E87-R319 PolarHBondContact OE2-NH2 3.4Å; Y295-R319 HydrophobicContact CD2-CG 4.49Å; R315-R319 WeakPolarHBondContact O-CG 3.44Å; R315-R319 PolarHBondContact O-N 3.41Å; R315-R319 VanDerWaalsContact O-N 3.07Å; M316-R319 PolarHBondContact O-N 3.05Å; F317-R319 PolarHBondContact O-N 3.27Å; R319-M321 VanDerWaalsContact C-N 3.35Å; R319-M321 PolarHBondContact O-N 3.03Å; R319-A322 PolarHBondContact O-N 3.38Å; R319-F323 HydrophobicContact CB-CE2 4.09Å; R319-F323 HydrophobicContact CB-CZ 4.43Å; R319-F323 VanDerWaalsContact O-CD2 3.25Å; R319-F323 WeakPolarHBondContact O-CD2 3.28Å; R319-F323 WeakPolarHBondContact O-CG 3.3Å; R319-F323 PolarHBondContact O-N 3.47Å
320I98Very high95.4Very high22 Ų2237.3 Ų37.311%0.11317%0.172CC..Hα-helixtrans-58-47.7175.5-72.7170.1000110.4S33 L34 I37 M316 F317 F323 L324S33-I320 VanDerWaalsContact OG-CD1 3.25Å; S33-I320 WeakPolarHBondContact OG-CD1 3.29Å; L34-I320 HydrophobicContact CD2-CG1 3.8Å; I37-I320 HydrophobicContact CD1-CG2 3.91Å; M316-I320 HydrophobicContact CG-CD1 3.63Å; M316-I320 HydrophobicContact CG-CG1 4.23Å; M316-I320 WeakPolarHBondContact O-CB 3.25Å; M316-I320 VanDerWaalsContact O-CG1 3.28Å; M316-I320 WeakPolarHBondContact O-CG1 3.32Å; M316-I320 PolarHBondContact O-N 3.03Å; M316-I320 HydrophobicContact SD-CD1 4.38Å; F317-I320 PolarHBondContact O-N 3.22Å; I320-F323 PolarHBondContact O-N 3.23Å; I320-L324 VanDerWaalsContact O-CB 3.27Å; I320-L324 WeakPolarHBondContact O-CB 3.5Å; I320-L324 PolarHBondContact O-N 3.01Å
321M98.1Very high95.5Very high38 Ų3835.8 Ų35.819%0.18717%0.167CC..Hα-helixtrans-59.4-49.5177.2-70.4-64.7105.900111F291 P294 F317 R319 F323 L324 N325F291-M321 HydrophobicContact CB-CB 4.5Å; F291-M321 WeakPolarHBondContact CB-O 3.47Å; F291-M321 HydrophobicContact CD1-SD 4.08Å; F291-M321 HydrophobicContact CE1-SD 4.21Å; F291-M321 CarbonylContact O-C 3.55Å; F291-M321 VanDerWaalsContact O-CB 3.29Å; F291-M321 WeakPolarHBondContact O-CB 3.46Å; P294-M321 HydrophobicContact CG-CB 4.46Å; P294-M321 HydrophobicContact CG-CG 4.39Å; F317-M321 HydrophobicContact CD2-CG 4.2Å; F317-M321 HydrophobicContact CE1-CG 4.2Å; F317-M321 HydrophobicContact CE2-CE 4.09Å; F317-M321 HydrophobicContact CE2-CG 3.75Å; F317-M321 HydrophobicContact CE2-SD 4.07Å; F317-M321 HydrophobicContact CZ-CG 3.74Å; F317-M321 HydrophobicContact CZ-SD 4.27Å; F317-M321 WeakPolarHBondContact O-CG 3.45Å; F317-M321 PolarHBondContact O-N 3.49Å; R319-M321 VanDerWaalsContact C-N 3.35Å; R319-M321 PolarHBondContact O-N 3.03Å; M321-F323 VanDerWaalsContact C-N 3.33Å; M321-F323 PolarHBondContact O-N 2.93Å; M321-L324 HydrophobicContact CE-CD2 4.12Å; M321-L324 WeakPolarHBondContact O-CB 3.26Å; M321-L324 PolarHBondContact O-N 3.04Å; M321-N325 PolarHBondContact O-N 2.97Å
322A97.5Very high95.2Very high2 Ų233.6 Ų33.62%0.01716%0.156CC..Hα-helixtrans-56.4-44.1177.400000112.5F291 W292 S318 R319 N325F291-A322 PolarHBondContact O-N 3.39Å; W292-A322 HydrophobicContact CD2-CB 4.3Å; W292-A322 HydrophobicContact CE3-CB 3.93Å; W292-A322 HydrophobicContact CH2-CB 3.86Å; W292-A322 HydrophobicContact CZ2-CB 4.26Å; W292-A322 HydrophobicContact CZ3-CB 3.71Å; S318-A322 PolarHBondContact O-N 3.34Å; S318-A322 VanDerWaalsContact O-N 3.11Å; R319-A322 PolarHBondContact O-N 3.38Å; A322-N325 WeakPolarHBondContact O-CB 3.46Å; A322-N325 PolarHBondContact O-N 3Å
323F97.7Very high94.7Very high13 Ų1331.1 Ų31.16%0.05714%0.142CC..Hα-helixtrans-74.1-29.7179.2-58.6-28.4000113.6L34 I37 V76 T81 M84 R319 I320 M321 N325 S326 A327L34-F323 HydrophobicContact CD2-CD2 3.79Å; L34-F323 HydrophobicContact CD2-CE2 4.48Å; I37-F323 HydrophobicContact CG2-CB 4.02Å; V76-F323 HydrophobicContact CG1-CD1 4.04Å; V76-F323 HydrophobicContact CG1-CE1 4.43Å; T81-F323 HydrophobicContact CG2-CD2 4.27Å; T81-F323 WeakPolarHBondContact OG1-CG 3.45Å; M84-F323 HydrophobicContact CB-CE2 4.15Å; M84-F323 HydrophobicContact CG-CE2 4.49Å; M84-F323 HydrophobicContact SD-CD2 4.32Å; M84-F323 HydrophobicContact SD-CE2 3.51Å; M84-F323 VanDerWaalsContact SD-CE2 3.51Å; M84-F323 HydrophobicContact SD-CZ 4.36Å; R319-F323 HydrophobicContact CB-CE2 4.09Å; R319-F323 HydrophobicContact CB-CZ 4.43Å; R319-F323 VanDerWaalsContact O-CD2 3.25Å; R319-F323 WeakPolarHBondContact O-CD2 3.28Å; R319-F323 WeakPolarHBondContact O-CG 3.3Å; R319-F323 PolarHBondContact O-N 3.47Å; I320-F323 PolarHBondContact O-N 3.23Å; M321-F323 VanDerWaalsContact C-N 3.33Å; M321-F323 PolarHBondContact O-N 2.93Å; F323-N325 PolarHBondContact O-N 2.98Å; F323-S326 PolarHBondContact O-N 2.98Å; F323-S326 VanDerWaalsContact O-N 3.16Å; F323-A327 PolarHBondContact O-N 3.39Å
324L97.1Very high94Very high52 Ų5228.4 Ų28.427%0.27214%0.137SC..Hα-helixtrans-62.3-29173.8-170.763.3000111.4I37 F291 I320 M321 S326 A327 V328I37-L324 HydrophobicContact CD1-CB 4.22Å; I37-L324 HydrophobicContact CD1-CD1 4.25Å; I37-L324 HydrophobicContact CG1-CD1 4.01Å; F291-L324 HydrophobicContact CD2-CB 4.16Å; F291-L324 HydrophobicContact CD2-CD2 4.39Å; F291-L324 HydrophobicContact CD2-CG 4.21Å; F291-L324 HydrophobicContact CE1-CD2 4.33Å; F291-L324 HydrophobicContact CE2-CB 4.06Å; F291-L324 HydrophobicContact CE2-CD2 3.62Å; F291-L324 HydrophobicContact CE2-CG 3.59Å; F291-L324 HydrophobicContact CZ-CD2 3.57Å; F291-L324 HydrophobicContact CZ-CG 4.09Å; I320-L324 VanDerWaalsContact O-CB 3.27Å; I320-L324 WeakPolarHBondContact O-CB 3.5Å; I320-L324 PolarHBondContact O-N 3.01Å; M321-L324 HydrophobicContact CE-CD2 4.12Å; M321-L324 WeakPolarHBondContact O-CB 3.26Å; M321-L324 PolarHBondContact O-N 3.04Å; L324-S326 VanDerWaalsContact C-N 3.28Å; L324-S326 PolarHBondContact O-N 3.23Å; L324-A327 PolarHBondContact O-N 3.37Å; L324-V328 WeakPolarHBondContact O-CB 3.24Å; L324-V328 WeakPolarHBondContact O-CG1 3.46Å; L324-V328 PolarHBondContact O-N 3.39Å
325N95.9Very high93Very high1 Ų127.9 Ų27.91%0.00515%0.145CC..Hα-helixtrans-57.8-39.7174-173.1-112.1000112.6F288 F291 W292 M321 A322 F323 N329F288-N325 WeakPolarHBondContact CA-ND2 3.23Å; F291-N325 HydrophobicContact CB-CB 4.07Å; F291-N325 HydrophobicContact CD2-CB 4.12Å; W292-N325 PolarHBondContact NE1-OD1 2.77Å; M321-N325 PolarHBondContact O-N 2.97Å; A322-N325 WeakPolarHBondContact O-CB 3.46Å; A322-N325 PolarHBondContact O-N 3Å; F323-N325 PolarHBondContact O-N 2.98Å; N325-N329 PolarHBondContact O-ND2 3Å
326S96Very high91.9Very high1 Ų129 Ų291%0.00715%0.152CC..Hα-helixtrans-78.6-24.8178.2-65.30000113.5N45 D73 F323 L324N45-S326 PolarHBondContact ND2-O 3.14Å; D73-S326 WeakPolarHBondContact OD1-CA 3.47Å; D73-S326 WeakPolarHBondContact OD1-CB 3.33Å; D73-S326 PolarHBondContact OD1-OG 2.94Å; F323-S326 PolarHBondContact O-N 2.98Å; F323-S326 VanDerWaalsContact O-N 3.16Å; L324-S326 VanDerWaalsContact C-N 3.28Å; L324-S326 PolarHBondContact O-N 3.23Å
327A96.1Very high91Very high2 Ų230.2 Ų30.22%0.01716%0.162CC..Hα-helixtrans-89.2-24.1-17900000114.4I37 F323 L324I37-A327 HydrophobicContact CB-CB 4.49Å; I37-A327 HydrophobicContact CG2-CB 3.82Å; I37-A327 WeakPolarHBondContact O-CB 3.46Å; F323-A327 PolarHBondContact O-N 3.39Å; L324-A327 PolarHBondContact O-N 3.37Å
328V94.9Very high90Very high22 Ų2230.8 Ų30.813%0.13316%0.161CC..Hα-helixtrans-78.2-26.5-174.274.30000113.3L287 F291 L324 I331 L332L287-V328 HydrophobicContact CD1-CG1 3.78Å; L287-V328 HydrophobicContact CD1-CG2 3.99Å; F291-V328 HydrophobicContact CE2-CG1 4.29Å; L324-V328 WeakPolarHBondContact O-CB 3.24Å; L324-V328 WeakPolarHBondContact O-CG1 3.46Å; L324-V328 PolarHBondContact O-N 3.39Å; V328-I331 WeakPolarHBondContact O-CB 3.49Å; V328-I331 PolarHBondContact O-N 2.88Å; V328-I331 VanDerWaalsContact O-N 3.1Å; V328-L332 HydrophobicContact CG1-CD1 4.23Å; V328-L332 HydrophobicContact CG2-CD1 4.22Å; V328-L332 HydrophobicContact CG2-CG 4.13Å; V328-L332 WeakPolarHBondContact O-CG 3.25Å; V328-L332 PolarHBondContact O-N 3.29Å; V328-L332 VanDerWaalsContact O-N 3.12Å
329N90.6Very high89Confident1 Ų138.4 Ų38.41%0.00519%0.194CC..Hα-helixtrans-54.1-50.6-173.9-72.3-26.1000113.7D73 N325 I331 L332 Y333D73-N329 PolarHBondContact OD2-ND2 2.84Å; N325-N329 PolarHBondContact O-ND2 3Å; N329-I331 VanDerWaalsContact C-N 3.32Å; N329-I331 PolarHBondContact O-N 3.45Å; N329-L332 WeakPolarHBondContact O-CB 3.31Å; N329-L332 PolarHBondContact O-N 3.42Å; N329-L332 VanDerWaalsContact O-N 3.15Å; N329-Y333 HydrophobicContact CB-CE2 3.78Å; N329-Y333 WeakPolarHBondContact O-CD2 3.4Å; N329-Y333 WeakPolarHBondContact O-CE2 3.26Å; N329-Y333 VanDerWaalsContact O-CG 3.26Å; N329-Y333 PolarHBondContact O-N 3.38Å
330P89.4Confident88.1Confident10 Ų1037.2 Ų37.27%0.06519%0.19CC..Hα-helixtrans-58.1-38.5176.3-2635.4000114.4N45 V48 L332 Y333 N334N45-P330 HydrophobicContact CB-CG 4.43Å; V48-P330 HydrophobicContact CG2-CB 3.92Å; V48-P330 HydrophobicContact CG2-CG 4.12Å; P330-L332 VanDerWaalsContact C-N 3.32Å; P330-L332 PolarHBondContact O-N 2.94Å; P330-Y333 PolarHBondContact O-N 3.04Å; P330-N334 WeakPolarHBondContact O-CB 3.37Å; P330-N334 PolarHBondContact O-N 3.05Å
331I89.2Confident87.4Confident91 Ų9140.7 Ų40.747%0.46720%0.202SC..Hα-helixtrans-61.6-46.3177.5-62.4170.8000109.3V40 V328 N329 N334 A335V40-I331 HydrophobicContact CG1-CD1 3.86Å; V40-I331 HydrophobicContact CG1-CG1 4.26Å; V328-I331 WeakPolarHBondContact O-CB 3.49Å; V328-I331 PolarHBondContact O-N 2.88Å; V328-I331 VanDerWaalsContact O-N 3.1Å; N329-I331 VanDerWaalsContact C-N 3.32Å; N329-I331 PolarHBondContact O-N 3.45Å; I331-N334 PolarHBondContact O-N 3.47Å; I331-A335 WeakPolarHBondContact O-CB 3.45Å; I331-A335 PolarHBondContact O-N 3.27Å
332L86.8Confident86.8Confident20 Ų2047 Ų4711%0.10522%0.223CC..Hα-helixtrans-63.8-44.6179.9-64.1174.1000111.7L280 I283 I284 L287 V328 N329 P330 N334 A335 M336L280-L332 HydrophobicContact CD1-CB 3.44Å; L280-L332 VanDerWaalsContact CD1-CB 3.44Å; L280-L332 WeakPolarHBondContact CD1-O 3.39Å; I283-L332 HydrophobicContact CG2-CD1 4.09Å; I283-L332 HydrophobicContact CG2-CD2 3.85Å; I284-L332 HydrophobicContact CG1-CD1 3.92Å; L287-L332 HydrophobicContact CD1-CD1 3.66Å; V328-L332 HydrophobicContact CG1-CD1 4.23Å; V328-L332 HydrophobicContact CG2-CD1 4.22Å; V328-L332 HydrophobicContact CG2-CG 4.13Å; V328-L332 WeakPolarHBondContact O-CG 3.25Å; V328-L332 PolarHBondContact O-N 3.29Å; V328-L332 VanDerWaalsContact O-N 3.12Å; N329-L332 WeakPolarHBondContact O-CB 3.31Å; N329-L332 PolarHBondContact O-N 3.42Å; N329-L332 VanDerWaalsContact O-N 3.15Å; P330-L332 VanDerWaalsContact C-N 3.32Å; P330-L332 PolarHBondContact O-N 2.94Å; L332-N334 PolarHBondContact O-N 3.44Å; L332-A335 PolarHBondContact O-N 3.47Å; L332-M336 PolarHBondContact O-N 3.22Å
333Y82.4Confident86Confident9 Ų947.2 Ų47.24%0.03523%0.225CC..Hα-helixtrans-59.8-45.6175.9-57.9-38.5000111.7V48 L66 L69 L280 I284 N329 P330 S337V48-Y333 HydrophobicContact CG1-CD2 4.24Å; V48-Y333 HydrophobicContact CG1-CE2 4.42Å; V48-Y333 HydrophobicContact CG2-CD2 3.81Å; V48-Y333 HydrophobicContact CG2-CE2 4.49Å; L66-Y333 HydrophobicContact CD2-CE1 3.77Å; L66-Y333 HydrophobicContact CD2-CE2 4.35Å; L66-Y333 WeakPolarHBondContact CD2-OH 3.28Å; L69-Y333 VanDerWaalsContact CD2-OH 3.28Å; L69-Y333 WeakPolarHBondContact CD2-OH 3.47Å; L280-Y333 HydrophobicContact CD2-CD1 4.1Å; I284-Y333 HydrophobicContact CD1-CE1 3.63Å; N329-Y333 HydrophobicContact CB-CE2 3.78Å; N329-Y333 WeakPolarHBondContact O-CD2 3.4Å; N329-Y333 WeakPolarHBondContact O-CE2 3.26Å; N329-Y333 VanDerWaalsContact O-CG 3.26Å; N329-Y333 PolarHBondContact O-N 3.38Å; P330-Y333 PolarHBondContact O-N 3.04Å; Y333-S337 WeakPolarHBondContact O-CB 3.5Å; Y333-S337 PolarHBondContact O-N 3.04Å
334N82.4Confident85.3Confident66 Ų6648.1 Ų48.135%0.35323%0.23SC..Hα-helixtrans-67.7-42.6178.9-174.649.5000112.6P330 I331 L332 M336 F340 R341P330-N334 WeakPolarHBondContact O-CB 3.37Å; P330-N334 PolarHBondContact O-N 3.05Å; I331-N334 PolarHBondContact O-N 3.47Å; L332-N334 PolarHBondContact O-N 3.44Å; N334-M336 PolarHBondContact O-N 2.99Å; N334-F340 HydrophobicContact CB-CD1 4.36Å; N334-F340 HydrophobicContact CB-CE1 4.28Å; N334-R341 WeakPolarHBondContact O-CD 3.46Å; N334-R341 WeakPolarHBondContact O-CG 3.2Å; N334-R341 WeakPolarHBondContact OD1-CG 3.45Å
335A77.7Confident84.7Confident55 Ų5552.2 Ų52.246%0.45525%0.246SC..Hα-helixtrans-63-43.1-179.300000111.8I331 L332 R341I331-A335 WeakPolarHBondContact O-CB 3.45Å; I331-A335 PolarHBondContact O-N 3.27Å; L332-A335 PolarHBondContact O-N 3.47Å; A335-R341 PolarHBondContact O-NH1 3.29Å
336M71.5Confident84.2Confident61 Ų6158.9 Ų58.930%0.327%0.271SS..Hα-helixtrans-101.6-28.9-169.2-57.3-150.8179.700114.6L280 I283 L332 N334 R338L280-M336 VanDerWaalsContact CA-SD 3.53Å; L280-M336 HydrophobicContact CB-CB 3.95Å; L280-M336 HydrophobicContact CB-CG 4.19Å; L280-M336 HydrophobicContact CB-SD 3.55Å; L280-M336 VanDerWaalsContact CB-SD 3.55Å; L280-M336 HydrophobicContact CD1-CB 4.16Å; L280-M336 HydrophobicContact CD1-CG 4.12Å; L280-M336 HydrophobicContact CD1-SD 4.14Å; L280-M336 HydrophobicContact CD2-CB 4.16Å; L280-M336 HydrophobicContact CG-CB 4.32Å; L280-M336 HydrophobicContact CG-SD 4.45Å; I283-M336 HydrophobicContact CD1-CE 3.25Å; I283-M336 HydrophobicContact CD1-SD 4.21Å; L332-M336 PolarHBondContact O-N 3.22Å; N334-M336 PolarHBondContact O-N 2.99Å; M336-R338 PolarHBondContact O-N 2.83Å
337S77Confident83.4Confident32 Ų3261.6 Ų61.622%0.22429%0.285CS..  trans-93.498.6-175.3-176.40000112.8Y333 K339 F340 R341Y333-S337 WeakPolarHBondContact O-CB 3.5Å; Y333-S337 PolarHBondContact O-N 3.04Å; S337-K339 PolarHBondContact O-N 3.09Å; S337-F340 WeakPolarHBondContact O-CB 3.42Å; S337-F340 PolarHBondContact O-N 3.32Å; S337-F340 VanDerWaalsContact O-N 3.12Å; S337-F340 WeakPolarHBondContact OG-CB 3.37Å; S337-F340 PolarHBondContact OG-N 3.45Å; S337-R341 PolarHBondContact O-N 3.49Å
338R77.3Confident82.8Confident108 Ų10866.1 Ų66.141%0.40831%0.308SS..Hα-helixtrans-55.1-35.3172-77.2-176-79.6178.1-4.9113.2M336 R342M336-R338 PolarHBondContact O-N 2.83Å; R338-R342 WeakPolarHBondContact O-CG 3.49Å; R338-R342 PolarHBondContact O-N 3.32Å; R338-R342 VanDerWaalsContact O-N 3.16Å
339K76.1Confident82.2Confident159 Ų15972.4 Ų72.469%0.69133%0.334SS*.Hα-helixtrans-66.9-45.2177.9-71-174.5178.6-176.50110.7L58 S337 R342 A343L58-K339 HydrophobicContact CD2-CB 4.49Å; S337-K339 PolarHBondContact O-N 3.09Å; K339-R342 PolarHBondContact O-N 3.02Å; K339-A343 PolarHBondContact O-N 3.18Å
340F78.3Confident80.9Confident16 Ų1676.7 Ų76.77%0.0736%0.363CS..Hα-helixtrans-59.6-49.8176-174.5-94.8000111.1V48 V51 N334 S337 R342 A343 L344V48-F340 HydrophobicContact CG2-CE2 4.19Å; V48-F340 HydrophobicContact CG2-CZ 3.83Å; V51-F340 HydrophobicContact CB-CE2 3.85Å; V51-F340 HydrophobicContact CB-CZ 4.3Å; V51-F340 HydrophobicContact CG1-CD2 3.84Å; V51-F340 HydrophobicContact CG1-CE2 3.66Å; V51-F340 HydrophobicContact CG1-CZ 4.35Å; V51-F340 HydrophobicContact CG2-CE2 4.28Å; V51-F340 HydrophobicContact CG2-CZ 4.24Å; N334-F340 HydrophobicContact CB-CD1 4.36Å; N334-F340 HydrophobicContact CB-CE1 4.28Å; S337-F340 WeakPolarHBondContact O-CB 3.42Å; S337-F340 PolarHBondContact O-N 3.32Å; S337-F340 VanDerWaalsContact O-N 3.12Å; S337-F340 WeakPolarHBondContact OG-CB 3.37Å; S337-F340 PolarHBondContact OG-N 3.45Å; F340-R342 VanDerWaalsContact C-N 3.27Å; F340-R342 PolarHBondContact O-N 3.46Å; F340-A343 PolarHBondContact O-N 2.98Å; F340-L344 HydrophobicContact CE1-CD2 4.34Å; F340-L344 WeakPolarHBondContact O-CB 3.32Å; F340-L344 PolarHBondContact O-N 3.11Å
341R83.6Confident79.2Confident96 Ų9683.5 Ų83.536%0.36239%0.394SS..Hα-helixtrans-55.3-40176.6-68-160.3-66.1-1328.3113.6N334 A335 S337 K345N334-R341 WeakPolarHBondContact O-CD 3.46Å; N334-R341 WeakPolarHBondContact O-CG 3.2Å; N334-R341 WeakPolarHBondContact OD1-CG 3.45Å; A335-R341 PolarHBondContact O-NH1 3.29Å; S337-R341 PolarHBondContact O-N 3.49Å; R341-K345 WeakPolarHBondContact O-CB 3.37Å; R341-K345 VanDerWaalsContact O-CG 3.28Å; R341-K345 WeakPolarHBondContact O-CG 3.47Å; R341-K345 PolarHBondContact O-N 3.37Å
342R85.4Confident77.1Confident170 Ų17088.1 Ų88.164%0.64241%0.411SS*.Hα-helixtrans-68.3-40178.1-74.7176.7-179.4-175.3-1.3111.7R338 K339 F340 R346R338-R342 WeakPolarHBondContact O-CG 3.49Å; R338-R342 PolarHBondContact O-N 3.32Å; R338-R342 VanDerWaalsContact O-N 3.16Å; K339-R342 PolarHBondContact O-N 3.02Å; F340-R342 VanDerWaalsContact C-N 3.27Å; F340-R342 PolarHBondContact O-N 3.46Å; R342-R346 WeakPolarHBondContact O-CG 3.45Å; R342-R346 PolarHBondContact O-N 3.41Å; R342-R346 VanDerWaalsContact O-N 3.11Å
343A81.1Confident74.7Confident7 Ų792.9 Ų92.96%0.05844%0.44CS..Hα-helixtrans-67.2-45.7176.400000111.4V51 L58 K339 F340 K345 R346 L347V51-A343 HydrophobicContact CG1-CB 3.77Å; L58-A343 HydrophobicContact CD1-CB 3.61Å; L58-A343 HydrophobicContact CG-CB 4.5Å; K339-A343 PolarHBondContact O-N 3.18Å; F340-A343 PolarHBondContact O-N 2.98Å; A343-K345 PolarHBondContact O-N 2.77Å; A343-R346 WeakPolarHBondContact O-CB 3.43Å; A343-R346 PolarHBondContact O-N 2.98Å; A343-R346 VanDerWaalsContact O-N 3.08Å; A343-L347 PolarHBondContact O-N 3.17Å
344L81.9Confident72.6Confident31 Ų31102.7 Ų102.716%0.16249%0.491CS..Hα-helixtrans-57-48.9174.9-178.463.1000111.6V51 F340 R346 L347 L348V51-L344 HydrophobicContact CG2-CB 4.3Å; V51-L344 HydrophobicContact CG2-CD1 3.86Å; F340-L344 HydrophobicContact CE1-CD2 4.34Å; F340-L344 WeakPolarHBondContact O-CB 3.32Å; F340-L344 PolarHBondContact O-N 3.11Å; L344-R346 VanDerWaalsContact C-N 3.26Å; L344-R346 PolarHBondContact O-N 3.39Å; L344-L347 PolarHBondContact O-N 3.35Å; L344-L348 HydrophobicContact CD1-CD1 4.3Å; L344-L348 HydrophobicContact CD1-CG 4.42Å; L344-L348 HydrophobicContact CG-CD1 4.13Å; L344-L348 WeakPolarHBondContact O-CG 3.14Å; L344-L348 PolarHBondContact O-N 2.97Å
345K86.2Confident72.2Confident138 Ų138104.5 Ų104.560%0.650%0.498SS*.Hα-helixtrans-59.8-34.5175.8-76.1-177.9-178.9-165.20113.1R341 A343 K349R341-K345 WeakPolarHBondContact O-CB 3.37Å; R341-K345 VanDerWaalsContact O-CG 3.28Å; R341-K345 WeakPolarHBondContact O-CG 3.47Å; R341-K345 PolarHBondContact O-N 3.37Å; A343-K345 PolarHBondContact O-N 2.77Å; K345-K349 VanDerWaalsContact O-CB 3.3Å; K345-K349 WeakPolarHBondContact O-CB 3.37Å; K345-K349 VanDerWaalsContact O-CG 3.23Å; K345-K349 WeakPolarHBondContact O-CG 3.36Å; K345-K349 PolarHBondContact O-N 2.99Å
346R84.1Confident71.9Confident142 Ų142107.1 Ų107.154%0.53650%0.5SS..Hα-helixtrans-69.6-45.4177.1-77174.2-178.4167.7-0.3111.3R342 A343 L344 L348 K349 C350R342-R346 WeakPolarHBondContact O-CG 3.45Å; R342-R346 PolarHBondContact O-N 3.41Å; R342-R346 VanDerWaalsContact O-N 3.11Å; A343-R346 WeakPolarHBondContact O-CB 3.43Å; A343-R346 PolarHBondContact O-N 2.98Å; A343-R346 VanDerWaalsContact O-N 3.08Å; L344-R346 VanDerWaalsContact C-N 3.26Å; L344-R346 PolarHBondContact O-N 3.39Å; R346-L348 VanDerWaalsContact C-N 3.34Å; R346-L348 PolarHBondContact O-N 3.19Å; R346-K349 PolarHBondContact O-N 3.45Å; R346-C350 WeakPolarHBondContact O-CB 2.93Å; R346-C350 PolarHBondContact O-N 3.32Å; R346-C350 PolarHBondContact O-SG 3.3Å; R346-C350 VanDerWaalsContact O-SG 3.35Å
347L80.5Confident71.9Confident57 Ų57109.7 Ų109.730%0.29851%0.511SS..Hα-helixtrans-59.6-46176.5-75164.5000111.3V51 L54 A343 L344 K349 C350 H351V51-L347 HydrophobicContact CB-CD1 4.08Å; V51-L347 HydrophobicContact CG1-CD1 4.44Å; V51-L347 HydrophobicContact CG2-CD1 3.65Å; L54-L347 HydrophobicContact CB-CD2 4.29Å; L54-L347 HydrophobicContact CD1-CD2 4.15Å; A343-L347 PolarHBondContact O-N 3.17Å; L344-L347 PolarHBondContact O-N 3.35Å; L347-K349 VanDerWaalsContact C-N 3.33Å; L347-K349 PolarHBondContact O-N 3.25Å; L347-C350 PolarHBondContact O-N 3.49Å; L347-H351 PolarHBondContact O-N 3.09Å; L347-H351 VanDerWaalsContact O-N 3.16Å
348L83.2Confident71.6Confident97 Ų97114.2 Ų114.251%0.50853%0.528SS..Hα-helixtrans-65.5-32.2176.7-65.4174.1000113.4L344 R346L344-L348 HydrophobicContact CD1-CD1 4.3Å; L344-L348 HydrophobicContact CD1-CG 4.42Å; L344-L348 HydrophobicContact CG-CD1 4.13Å; L344-L348 WeakPolarHBondContact O-CG 3.14Å; L344-L348 PolarHBondContact O-N 2.97Å; R346-L348 VanDerWaalsContact C-N 3.34Å; R346-L348 PolarHBondContact O-N 3.19Å
349K80.9Confident71.2Confident154 Ų154114.6 Ų114.667%0.6754%0.536SS*.Hα-helixtrans-77.7-38.1176.4-78.8-175176.2-157.20112.9K345 R346 L347 H351 K352K345-K349 VanDerWaalsContact O-CB 3.3Å; K345-K349 WeakPolarHBondContact O-CB 3.37Å; K345-K349 VanDerWaalsContact O-CG 3.23Å; K345-K349 WeakPolarHBondContact O-CG 3.36Å; K345-K349 PolarHBondContact O-N 2.99Å; R346-K349 PolarHBondContact O-N 3.45Å; L347-K349 VanDerWaalsContact C-N 3.33Å; L347-K349 PolarHBondContact O-N 3.25Å; K349-H351 PolarHBondContact O-N 3.15Å; K349-K352 PolarHBondContact O-N 3.28Å; K349-K352 VanDerWaalsContact O-N 3.08Å
350C63.7Low70.9Confident92 Ų92111.7 Ų111.762%0.62253%0.525SS*.Hα-helixtrans-67.3-24.5175.9-71.20000112.1R346 L347R346-C350 WeakPolarHBondContact O-CB 2.93Å; R346-C350 PolarHBondContact O-N 3.32Å; R346-C350 PolarHBondContact O-SG 3.3Å; R346-C350 VanDerWaalsContact O-SG 3.35Å; L347-C350 PolarHBondContact O-N 3.49Å
351H54.2Low70.4Confident153 Ų153118.5 Ų118.571%0.70856%0.558SS**THydrogen-bonded Turntrans-81.3-9.9170.1-109.338.5000114.7L347 K349 V353L347-H351 PolarHBondContact O-N 3.09Å; L347-H351 VanDerWaalsContact O-N 3.16Å; K349-H351 PolarHBondContact O-N 3.15Å; H351-V353 PolarHBondContact O-N 2.85Å
352K45.4Very low69.4Low188 Ų188120.2 Ų120.282%0.81757%0.573SS**THydrogen-bonded Turntrans-83.813.6168.3-76.7-164.2173.1-163.40112.9K349K349-K352 PolarHBondContact O-N 3.28Å; K349-K352 VanDerWaalsContact O-N 3.08Å
353V36.9Very low68Low120 Ų120116.1 Ų116.173%0.72757%0.567SS**  trans-119.866.2171.6-169.20000107.5H351H351-V353 PolarHBondContact O-N 2.85Å
354I38.5Very low66.9Low214 Ų214126 Ų126100%1.09761%0.613SS**  trans-134.70153.7-58.7-178.3000105.5

Retrieved 354 of 354 residues in 727.3 ms (Link to these results)

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