A0A068J745_HUMAN Loading...

Rhesus blood group D antigen

AlphaFold DB , UniProt , Accession A0A068J745, Species HUMAN (Homo sapiens, Human), Gene RHD, Length 417 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
1M34.4Very low51.8Low246 Ų246151.6 Ų151.6100%1.21272%0.722SS**  01070-76.9175.8163.900108.7
2S35.3Very low53.2Low111 Ų111143.3 Ų143.378%0.77669%0.691SS**  trans-68.7132.2173.8176.10000109.2K4S2-K4 PolarHBondContact O-N 3.23Å
3S37.5Very low54.6Low81 Ų81136.9 Ų136.957%0.56666%0.662SS**  trans-52.4125.5179173.60000111.1Y5S3-Y5 PolarHBondContact O-N 3.29Å; S3-Y5 PolarHBondContact OG-N 3.47Å
4K43.3Very low56.3Low196 Ų196131.4 Ų131.485%0.85264%0.643SS**SBendtrans-73.74.4178.6-72.3-176.3175.6-176.90114S2S2-K4 PolarHBondContact O-N 3.23Å
5Y46.8Very low57.9Low189 Ų189130 Ų13074%0.74164%0.638SS**SBendtrans-99.9133.1-178.7-71.8-82.2000111.8S3 R7S3-Y5 PolarHBondContact O-N 3.29Å; S3-Y5 PolarHBondContact OG-N 3.47Å; Y5-R7 PolarHBondContact O-N 3.5Å
6P53Low59.4Low64 Ų64132.4 Ų132.442%0.41664%0.638SS.*PPolyproline II helixtrans-58.9124.8171.924-29.6000108.9S8 V406P6-S8 PolarHBondContact O-N 2.98Å; P6-V406 HydrophobicContact CB-CG1 4.27Å
7R58.8Low60.8Low192 Ų192126.2 Ų126.273%0.72561%0.614SS**PPolyproline II helixtrans-68.4126.6-178.1-77178.7172.7170-5.3109.2Y5 V9Y5-R7 PolarHBondContact O-N 3.5Å; R7-V9 PolarHBondContact O-N 3.34Å
8S63.4Low62.4Low92 Ų92126.1 Ų126.164%0.64362%0.616SS**PPolyproline II helixtrans-50.4127.8-178.2-176.10000112.9P6 R10P6-S8 PolarHBondContact O-N 2.98Å; S8-R10 VanDerWaalsContact C-N 3.29Å; S8-R10 VanDerWaalsContact OG-CB 3.24Å; S8-R10 WeakPolarHBondContact OG-CB 3.27Å; S8-R10 PolarHBondContact OG-N 3.26Å
9V65.4Low63.8Low60 Ų60123.2 Ų123.236%0.36461%0.606SS.*  trans-84.5-1.4174.9-118.50000113.1R7 R11 C12 L13R7-V9 PolarHBondContact O-N 3.34Å; V9-R11 VanDerWaalsContact C-N 3.27Å; V9-R11 PolarHBondContact O-N 3.34Å; V9-C12 PolarHBondContact O-N 3.4Å; V9-C12 VanDerWaalsContact O-N 3.13Å; V9-L13 HydrophobicContact CB-CB 4.07Å; V9-L13 HydrophobicContact CG1-CB 3.86Å; V9-L13 HydrophobicContact CG1-CD1 4.2Å; V9-L13 PolarHBondContact O-N 3.37Å
10R67.1Low65.1Low216 Ų216119 Ų11982%0.81559%0.586SS**THydrogen-bonded Turntrans-51.6-32.7-168.2-174.6177.8-177.5-172.21.8115.8S8 P14S8-R10 VanDerWaalsContact C-N 3.29Å; S8-R10 VanDerWaalsContact OG-CB 3.24Å; S8-R10 WeakPolarHBondContact OG-CB 3.27Å; S8-R10 PolarHBondContact OG-N 3.26Å; R10-P14 WeakPolarHBondContact O-CG 3.35Å
11R64.3Low66.5Low221 Ų221116.7 Ų116.783%0.83457%0.574SS**THydrogen-bonded Turntrans-102.8-31177.8-77.1-171.6-180173.90.1113.9V9 L15V9-R11 VanDerWaalsContact C-N 3.27Å; V9-R11 PolarHBondContact O-N 3.34Å; R11-L15 WeakPolarHBondContact O-CB 3.39Å
12C69.1Low69.3Low51 Ų51107.4 Ų107.435%0.34554%0.536SS..Hα-helixtrans-77.7-54.3-173.4-159.20000109.8V9 L15 W16V9-C12 PolarHBondContact O-N 3.4Å; V9-C12 VanDerWaalsContact O-N 3.13Å; C12-L15 PolarHBondContact O-N 3.33Å; C12-W16 WeakPolarHBondContact O-CB 3.24Å; C12-W16 PolarHBondContact O-N 3.4Å; C12-W16 VanDerWaalsContact SG-CD1 3.51Å
13L71.8Confident72.1Confident61 Ų61104.2 Ų104.232%0.31952%0.517SS..Hα-helixtrans-63.6-49.6-170.8-168.7116.3000113.7V9 L15 A17 L136V9-L13 HydrophobicContact CB-CB 4.07Å; V9-L13 HydrophobicContact CG1-CB 3.86Å; V9-L13 HydrophobicContact CG1-CD1 4.2Å; V9-L13 PolarHBondContact O-N 3.37Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 3.17Å; L13-A17 WeakPolarHBondContact O-CB 3.21Å; L13-A17 PolarHBondContact O-N 3.29Å; L13-L136 HydrophobicContact CD1-CB 3.89Å; L13-L136 HydrophobicContact CD1-CD2 3.97Å; L13-L136 HydrophobicContact CD1-CG 4.16Å; L13-L136 HydrophobicContact CD2-CD2 4.17Å; L13-L136 HydrophobicContact CG-CD2 4.44Å
14P78.3Confident74.8Confident60 Ų60100.5 Ų100.539%0.3949%0.491SS..Hα-helixtrans-67.5-36.7-178.6-17.632.5000111.9R10 L18R10-P14 WeakPolarHBondContact O-CG 3.35Å; P14-L18 VanDerWaalsContact O-CB 3.25Å; P14-L18 WeakPolarHBondContact O-CB 3.31Å; P14-L18 WeakPolarHBondContact O-CG 3.33Å; P14-L18 PolarHBondContact O-N 2.98Å
15L80.3Confident77.2Confident110 Ų11096 Ų9658%0.57648%0.475SS*.Hα-helixtrans-67.4-48.4-177.9-160.3151.2000110.3R11 C12 L13 T19R11-L15 WeakPolarHBondContact O-CB 3.39Å; C12-L15 PolarHBondContact O-N 3.33Å; L13-L15 VanDerWaalsContact C-N 3.33Å; L13-L15 PolarHBondContact O-N 3.17Å; L15-T19 HydrophobicContact CD2-CG2 4.07Å; L15-T19 WeakPolarHBondContact O-CB 3.24Å; L15-T19 VanDerWaalsContact O-CG2 3.22Å; L15-T19 WeakPolarHBondContact O-CG2 3.41Å; L15-T19 PolarHBondContact O-N 3.41Å; L15-T19 PolarHBondContact O-OG1 3.37Å
16W81.3Confident79.5Confident168 Ų16891.8 Ų91.864%0.63647%0.465SS*.Hα-helixtrans-61.4-46.1176-81.696.5000112.7C12 T19 L20C12-W16 WeakPolarHBondContact O-CB 3.24Å; C12-W16 PolarHBondContact O-N 3.4Å; C12-W16 VanDerWaalsContact SG-CD1 3.51Å; W16-T19 WeakPolarHBondContact CA-OG1 3.04Å; W16-T19 PolarHBondContact O-N 2.65Å; W16-T19 PolarHBondContact O-OG1 2.78Å; W16-L20 WeakPolarHBondContact O-CB 3.37Å; W16-L20 PolarHBondContact O-N 3.43Å
17A83.8Confident81.4Confident28 Ų2891.4 Ų91.423%0.23146%0.459CS..Hα-helixtrans-63.2-47.1179.900000111.9L13 L20 E21 F82L13-A17 WeakPolarHBondContact O-CB 3.21Å; L13-A17 PolarHBondContact O-N 3.29Å; A17-L20 PolarHBondContact O-N 3.25Å; A17-E21 PolarHBondContact O-N 3.39Å; A17-F82 HydrophobicContact CB-CZ 4.39Å
18L88.4Confident83Confident124 Ų12484.1 Ų84.165%0.64943%0.432SS*.Hα-helixtrans-68.7-34.9179.2-68.1172.9000112.4P14 L20 A22P14-L18 VanDerWaalsContact O-CB 3.25Å; P14-L18 WeakPolarHBondContact O-CB 3.31Å; P14-L18 WeakPolarHBondContact O-CG 3.33Å; P14-L18 PolarHBondContact O-N 2.98Å; L18-L20 VanDerWaalsContact C-N 3.35Å; L18-A22 VanDerWaalsContact O-CB 3.27Å; L18-A22 WeakPolarHBondContact O-CB 3.31Å; L18-A22 PolarHBondContact O-N 3.03Å
19T89.4Confident84.3Confident70 Ų7088.2 Ų88.243%0.42944%0.435SS..Hα-helixtrans-66.2-38.7174.150.80000112L15 W16 A23L15-T19 HydrophobicContact CD2-CG2 4.07Å; L15-T19 WeakPolarHBondContact O-CB 3.24Å; L15-T19 VanDerWaalsContact O-CG2 3.22Å; L15-T19 WeakPolarHBondContact O-CG2 3.41Å; L15-T19 PolarHBondContact O-N 3.41Å; L15-T19 PolarHBondContact O-OG1 3.37Å; W16-T19 WeakPolarHBondContact CA-OG1 3.04Å; W16-T19 PolarHBondContact O-N 2.65Å; W16-T19 PolarHBondContact O-OG1 2.78Å; T19-A23 WeakPolarHBondContact O-CB 3.26Å; T19-A23 PolarHBondContact O-N 3.25Å
20L90.7Very high85.5Confident40 Ų4091.3 Ų91.321%0.20944%0.444CS..Hα-helixtrans-66.9-45.6177-176.463.6000110.6W16 A17 L18 A22 A23 L24 L86 V140 L144W16-L20 WeakPolarHBondContact O-CB 3.37Å; W16-L20 PolarHBondContact O-N 3.43Å; A17-L20 PolarHBondContact O-N 3.25Å; L18-L20 VanDerWaalsContact C-N 3.35Å; L20-A22 PolarHBondContact O-N 2.79Å; L20-A23 WeakPolarHBondContact O-CB 3.49Å; L20-A23 PolarHBondContact O-N 3.41Å; L20-L24 HydrophobicContact CG-CD1 4.34Å; L20-L24 WeakPolarHBondContact O-CG 3.19Å; L20-L24 PolarHBondContact O-N 3.36Å; L20-L86 HydrophobicContact CD2-CD1 3.59Å; L20-L86 HydrophobicContact CD2-CD2 3.95Å; L20-L86 HydrophobicContact CD2-CG 4.43Å; L20-L86 HydrophobicContact CG-CD1 4.15Å; L20-V140 HydrophobicContact CD2-CG1 3.7Å; L20-L144 HydrophobicContact CD1-CD1 4.42Å
21E93.9Very high86.5Confident71 Ų7184.4 Ų84.433%0.33242%0.42SS..Hα-helixtrans-61.4-44.5176.7-167.465.3-155.900111.4A17 A23 L24 I25 Q89A17-E21 PolarHBondContact O-N 3.39Å; E21-A23 VanDerWaalsContact C-N 3.3Å; E21-A23 PolarHBondContact O-N 3.5Å; E21-L24 PolarHBondContact O-N 3.43Å; E21-I25 HydrophobicContact CG-CD1 4.08Å; E21-I25 VanDerWaalsContact O-CG1 3.29Å; E21-I25 WeakPolarHBondContact O-CG1 3.46Å; E21-I25 PolarHBondContact O-N 3.07Å; E21-Q89 PolarHBondContact OE1-NE2 3.38Å; E21-Q89 PolarHBondContact OE1-OE1 3.34Å; E21-Q89 PolarHBondContact OE2-OE1 3.21Å
22A94.1Very high87.6Confident50 Ų5075 Ų7541%0.41339%0.387SS..Hα-helixtrans-60.7-40.3176.200000111.9L18 L20 I25 L26L18-A22 VanDerWaalsContact O-CB 3.27Å; L18-A22 WeakPolarHBondContact O-CB 3.31Å; L18-A22 PolarHBondContact O-N 3.03Å; L20-A22 PolarHBondContact O-N 2.79Å; A22-I25 PolarHBondContact O-N 3.48Å; A22-L26 WeakPolarHBondContact O-CG 3.41Å; A22-L26 PolarHBondContact O-N 2.93Å
23A94Very high88.5Confident44 Ų4476.3 Ų76.336%0.36439%0.388SS..Hα-helixtrans-64.3-43.9175.100000111.7T19 L20 E21 L26 L27T19-A23 WeakPolarHBondContact O-CB 3.26Å; T19-A23 PolarHBondContact O-N 3.25Å; L20-A23 WeakPolarHBondContact O-CB 3.49Å; L20-A23 PolarHBondContact O-N 3.41Å; E21-A23 VanDerWaalsContact C-N 3.3Å; E21-A23 PolarHBondContact O-N 3.5Å; A23-L26 PolarHBondContact O-N 3.1Å; A23-L27 WeakPolarHBondContact O-CG 3.47Å; A23-L27 PolarHBondContact O-N 2.95Å
24L93.8Very high89.2Confident4 Ų482.2 Ų82.22%0.02141%0.407CS..Hα-helixtrans-61.7-46.4175.9-69.6170.5000111.1L20 E21 L26 L27 F28 L86 Q89 W90 L93L20-L24 HydrophobicContact CG-CD1 4.34Å; L20-L24 WeakPolarHBondContact O-CG 3.19Å; L20-L24 PolarHBondContact O-N 3.36Å; E21-L24 PolarHBondContact O-N 3.43Å; L24-L26 VanDerWaalsContact C-N 3.29Å; L24-L26 PolarHBondContact O-N 3.02Å; L24-L27 WeakPolarHBondContact O-CB 3.28Å; L24-L27 PolarHBondContact O-N 3.41Å; L24-L27 VanDerWaalsContact O-N 3.09Å; L24-F28 VanDerWaalsContact O-CD2 3.32Å; L24-F28 WeakPolarHBondContact O-CD2 3.42Å; L24-F28 PolarHBondContact O-N 2.8Å; L24-L86 HydrophobicContact CD1-CD1 3.61Å; L24-Q89 HydrophobicContact CD1-CB 4.3Å; L24-W90 HydrophobicContact CD2-CE3 4.1Å; L24-L93 HydrophobicContact CD2-CD1 3.61Å
25I94.6Very high89.2Confident101 Ų10182.9 Ų82.952%0.51841%0.407SS..Hα-helixtrans-55.8-45176.3-69.6165.7000111.2E21 A22 F28 Y29E21-I25 HydrophobicContact CG-CD1 4.08Å; E21-I25 VanDerWaalsContact O-CG1 3.29Å; E21-I25 WeakPolarHBondContact O-CG1 3.46Å; E21-I25 PolarHBondContact O-N 3.07Å; A22-I25 PolarHBondContact O-N 3.48Å; I25-F28 PolarHBondContact O-N 2.8Å; I25-Y29 WeakPolarHBondContact O-CB 3.37Å; I25-Y29 PolarHBondContact O-N 2.88Å
26L94.6Very high88.7Confident101 Ų10182.3 Ų82.353%0.52942%0.419SS..Hα-helixtrans-63.2-43.8176.9-71171.9000111.6A22 A23 L24 F28 Y29 F30A22-L26 WeakPolarHBondContact O-CG 3.41Å; A22-L26 PolarHBondContact O-N 2.93Å; A23-L26 PolarHBondContact O-N 3.1Å; L24-L26 VanDerWaalsContact C-N 3.29Å; L24-L26 PolarHBondContact O-N 3.02Å; L26-F28 PolarHBondContact O-N 3.42Å; L26-Y29 PolarHBondContact O-N 2.82Å; L26-F30 HydrophobicContact CD2-CE2 4.31Å; L26-F30 WeakPolarHBondContact O-CD2 3.4Å; L26-F30 PolarHBondContact O-N 3.09Å
27L92.3Very high88.2Confident55 Ų5577.5 Ų77.529%0.28841%0.411SS..Hα-helixtrans-61.7-44176.5-69.5172.7000111.6A23 L24 Y29 F30 F31 L93A23-L27 WeakPolarHBondContact O-CG 3.47Å; A23-L27 PolarHBondContact O-N 2.95Å; L24-L27 WeakPolarHBondContact O-CB 3.28Å; L24-L27 PolarHBondContact O-N 3.41Å; L24-L27 VanDerWaalsContact O-N 3.09Å; L27-Y29 PolarHBondContact O-N 3.38Å; L27-F30 PolarHBondContact O-N 3.24Å; L27-F31 HydrophobicContact CB-CD2 4.5Å; L27-F31 HydrophobicContact CD2-CD2 3.94Å; L27-F31 HydrophobicContact CD2-CE2 3.81Å; L27-F31 WeakPolarHBondContact O-CB 3.35Å; L27-F31 WeakPolarHBondContact O-CD2 3.18Å; L27-F31 PolarHBondContact O-N 3.42Å; L27-L93 HydrophobicContact CB-CD1 3.82Å; L27-L93 HydrophobicContact CB-CD2 4.26Å; L27-L93 HydrophobicContact CD1-CD1 4.01Å
28F92.2Very high87Confident40 Ų4084.8 Ų84.818%0.17545%0.445CS..Hα-helixtrans-60.9-45.1175.1-89.9-96.1000111.4L24 I25 L26 F30 T32 Q89 I92 L93 I108L24-F28 VanDerWaalsContact O-CD2 3.32Å; L24-F28 WeakPolarHBondContact O-CD2 3.42Å; L24-F28 PolarHBondContact O-N 2.8Å; I25-F28 PolarHBondContact O-N 2.8Å; L26-F28 PolarHBondContact O-N 3.42Å; F28-F30 PolarHBondContact O-N 3.48Å; F28-T32 HydrophobicContact CB-CG2 4.45Å; F28-T32 HydrophobicContact CD1-CG2 3.71Å; F28-T32 HydrophobicContact CE1-CG2 4.16Å; F28-T32 HydrophobicContact CG-CG2 4.15Å; F28-T32 WeakPolarHBondContact O-CB 3.15Å; F28-T32 PolarHBondContact O-N 3.49Å; F28-T32 PolarHBondContact O-OG1 3.44Å; F28-Q89 HydrophobicContact CE2-CB 4.07Å; F28-Q89 HydrophobicContact CZ-CB 4.37Å; F28-I92 HydrophobicContact CE1-CG2 4.03Å; F28-I92 HydrophobicContact CZ-CB 4.13Å; F28-I92 HydrophobicContact CZ-CG2 4.03Å; F28-L93 HydrophobicContact CD2-CD1 3.81Å; F28-L93 HydrophobicContact CD2-CD2 3.87Å; F28-L93 HydrophobicContact CD2-CG 3.93Å; F28-L93 HydrophobicContact CE2-CD1 3.59Å; F28-L93 HydrophobicContact CE2-CD2 3.87Å; F28-L93 HydrophobicContact CE2-CG 3.5Å; F28-L93 HydrophobicContact CG-CD2 4.29Å; F28-L93 HydrophobicContact CZ-CD2 4.29Å; F28-L93 HydrophobicContact CZ-CG 4.02Å; F28-I108 HydrophobicContact CD1-CD1 4.07Å; F28-I108 HydrophobicContact CE1-CD1 3.89Å
29Y91.6Very high85.8Confident178 Ų17882.6 Ų82.670%0.69843%0.431SS*.Hα-helixtrans-58.8-44178.8175-101.2000112.8I25 L26 L27I25-Y29 WeakPolarHBondContact O-CB 3.37Å; I25-Y29 PolarHBondContact O-N 2.88Å; L26-Y29 PolarHBondContact O-N 2.82Å; L27-Y29 PolarHBondContact O-N 3.38Å
30F89.4Confident85Confident124 Ų12484.7 Ų84.754%0.54444%0.44SS..Hα-helixtrans-82.5-35.9-176.4-73.2-64.6000113.8L26 L27 F28L26-F30 HydrophobicContact CD2-CE2 4.31Å; L26-F30 WeakPolarHBondContact O-CD2 3.4Å; L26-F30 PolarHBondContact O-N 3.09Å; L27-F30 PolarHBondContact O-N 3.24Å; F28-F30 PolarHBondContact O-N 3.48Å
31F88Confident84.2Confident71 Ų7190 Ų9031%0.31146%0.464SS..Hα-helixtrans-111.6-7.7-166.1-63.5-75.1000114.9L27 F97 K105 V106L27-F31 HydrophobicContact CB-CD2 4.5Å; L27-F31 HydrophobicContact CD2-CD2 3.94Å; L27-F31 HydrophobicContact CD2-CE2 3.81Å; L27-F31 WeakPolarHBondContact O-CB 3.35Å; L27-F31 WeakPolarHBondContact O-CD2 3.18Å; L27-F31 PolarHBondContact O-N 3.42Å; F31-F97 HydrophobicContact CB-CE1 3.78Å; F31-F97 HydrophobicContact CB-CZ 4.04Å; F31-F97 AromaticContact CD1-CE1 3.98Å; F31-F97 HydrophobicContact CD1-CE1 3.98Å; F31-F97 HydrophobicContact CD1-CZ 4.49Å; F31-F97 HydrophobicContact CD2-CE1 4.28Å; F31-F97 AromaticContact CD2-CZ 4Å; F31-F97 HydrophobicContact CD2-CZ 4Å; F31-F97 AromaticContact CG-CE1 3.75Å; F31-F97 HydrophobicContact CG-CE1 3.75Å; F31-F97 AromaticContact CG-CZ 3.92Å; F31-F97 HydrophobicContact CG-CZ 3.92Å; F31-K105 CarbonylContact O-C 3.56Å; F31-K105 WeakPolarHBondContact O-CA 3.17Å; F31-V106 PolarHBondContact O-N 3.48Å
32T88.4Confident83.2Confident24 Ų2494.7 Ų94.715%0.14748%0.483CS..EExtended strand (participates in β ladder)trans-117.3152.8-175.973.90000112.9F28 L93 V106 I108F28-T32 HydrophobicContact CB-CG2 4.45Å; F28-T32 HydrophobicContact CD1-CG2 3.71Å; F28-T32 HydrophobicContact CE1-CG2 4.16Å; F28-T32 HydrophobicContact CG-CG2 4.15Å; F28-T32 WeakPolarHBondContact O-CB 3.15Å; F28-T32 PolarHBondContact O-N 3.49Å; F28-T32 PolarHBondContact O-OG1 3.44Å; T32-L93 HydrophobicContact CG2-CD2 3.77Å; T32-V106 WeakPolarHBondContact CA-O 3.34Å; T32-V106 HydrophobicContact CG2-CB 4.17Å; T32-I108 HydrophobicContact CG2-CD1 4.23Å
33H88.4Confident82.2Confident78 Ų7893.9 Ų93.936%0.36148%0.479SS..EExtended strand (participates in β ladder)trans-149.1156.2167.366.1-62000110V106 V107 I108H33-V106 PolarHBondContact N-O 3.45Å; H33-V106 PolarHBondContact ND1-O 3.24Å; H33-V106 VanDerWaalsContact ND1-O 3.17Å; H33-V107 WeakPolarHBondContact CE1-CG2 3.5Å; H33-I108 PolarHBondContact O-N 2.87Å
34Y85.2Confident81.4Confident185 Ų18595.6 Ų95.673%0.72548%0.482SS*.EExtended strand (participates in β ladder)trans-77.6143.9174.4-65.3-65.3000110.8A36 I108Y34-A36 PolarHBondContact O-N 3.1Å; Y34-I108 HydrophobicContact CD1-CB 4.11Å; Y34-I108 HydrophobicContact CD1-CG2 4.24Å; Y34-I108 HydrophobicContact CE1-CB 4.4Å; Y34-I108 HydrophobicContact CE1-CD1 4.39Å; Y34-I108 HydrophobicContact CE1-CG2 4.22Å
35D79.5Confident80.8Confident74 Ų7498.7 Ų98.740%0.39650%0.501SS..  trans-61.5132.2167.2-168.95.6000109.7S37 V107 I108 T109D35-S37 VanDerWaalsContact C-N 3.34Å; D35-S37 VanDerWaalsContact CG-OG 3.26Å; D35-S37 WeakPolarHBondContact OD1-CB 3.49Å; D35-S37 PolarHBondContact OD1-N 3.5Å; D35-S37 PolarHBondContact OD1-OG 2.79Å; D35-S37 WeakPolarHBondContact OD2-CB 3.14Å; D35-S37 PolarHBondContact OD2-OG 3.1Å; D35-V107 HydrophobicContact CB-CG1 3.71Å; D35-I108 PolarHBondContact N-O 2.84Å; D35-T109 HydrophobicContact CB-CG2 4.2Å
36A70.3Confident80Confident99 Ų9995.6 Ų95.682%0.81849%0.49SS*.  trans-91.2-1.2178.400000112.1Y34Y34-A36 PolarHBondContact O-N 3.1Å
37S69.9Low79.2Confident67 Ų6791.7 Ų91.747%0.46947%0.472SS..  trans-67134.7-179.478.50000112D35 E39D35-S37 VanDerWaalsContact C-N 3.34Å; D35-S37 VanDerWaalsContact CG-OG 3.26Å; D35-S37 WeakPolarHBondContact OD1-CB 3.49Å; D35-S37 PolarHBondContact OD1-N 3.5Å; D35-S37 PolarHBondContact OD1-OG 2.79Å; D35-S37 WeakPolarHBondContact OD2-CB 3.14Å; D35-S37 PolarHBondContact OD2-OG 3.1Å; S37-E39 PolarHBondContact O-N 2.98Å; S37-E39 VanDerWaalsContact O-N 3.14Å
38L58.7Low78.8Confident181 Ų18195.2 Ų95.295%0.94848%0.482SS*.  trans-77.294.1171.8-85.5159.2000108.5
39E63.5Low78.6Confident78 Ų7898.3 Ų98.336%0.36450%0.497SS..  trans-63.7141.3170.1-77-170.3172.900110.8S37 Q41 L44S37-E39 PolarHBondContact O-N 2.98Å; S37-E39 VanDerWaalsContact O-N 3.14Å; E39-Q41 PolarHBondContact O-N 2.94Å; E39-L44 HydrophobicContact CB-CD1 4.47Å; E39-L44 WeakPolarHBondContact OE2-CD1 3.37Å
40D71.3Confident78.3Confident113 Ų11391 Ų9160%0.60447%0.471SS*.  trans-55.4132.3170.2173.840.1000110.2K42 G43 L44D40-K42 PolarHBondContact O-N 3.32Å; D40-K42 VanDerWaalsContact O-N 3.09Å; D40-G43 WeakPolarHBondContact O-CA 3.36Å; D40-G43 PolarHBondContact O-N 3.4Å; D40-L44 PolarHBondContact O-N 2.9Å
41Q73.8Confident78.2Confident153 Ų15385.8 Ų85.872%0.71545%0.452SS*.Hα-helixtrans-56.7-33.8-173-170.9178.7-4.700112.3E39 V45E39-Q41 PolarHBondContact O-N 2.94Å; Q41-V45 VanDerWaalsContact O-CG2 3.3Å; Q41-V45 WeakPolarHBondContact O-CG2 3.46Å; Q41-V45 PolarHBondContact O-N 3.47Å; Q41-V45 VanDerWaalsContact O-N 3.15Å
42K72.9Confident78.3Confident169 Ų16986.4 Ų86.474%0.73546%0.456SS*.Hα-helixtrans-71.3-40.7176.4-66.7178.7179.6174.90112.2D40 L44 A46D40-K42 PolarHBondContact O-N 3.32Å; D40-K42 VanDerWaalsContact O-N 3.09Å; K42-L44 VanDerWaalsContact C-N 3.35Å; K42-A46 WeakPolarHBondContact O-CB 3.49Å; K42-A46 PolarHBondContact O-N 2.91Å; K42-A46 VanDerWaalsContact O-N 3.1Å
43G73.8Confident78.5Confident32 Ų3287 Ų8733%0.3346%0.458SS..Hα-helixtrans-64.1-39.4175.500000112.7D40 S47D40-G43 WeakPolarHBondContact O-CA 3.36Å; D40-G43 PolarHBondContact O-N 3.4Å; G43-S47 VanDerWaalsContact O-CB 3.28Å; G43-S47 WeakPolarHBondContact O-CB 3.27Å; G43-S47 PolarHBondContact O-N 3.36Å; G43-S47 PolarHBondContact O-OG 3.03Å
44L76.5Confident78.6Confident80 Ų8083.3 Ų83.342%0.41944%0.441SS..Hα-helixtrans-62.2-51.6175.9-173.578.5000111.4E39 D40 K42 A46 S47 Y48 L110E39-L44 HydrophobicContact CB-CD1 4.47Å; E39-L44 WeakPolarHBondContact OE2-CD1 3.37Å; D40-L44 PolarHBondContact O-N 2.9Å; K42-L44 VanDerWaalsContact C-N 3.35Å; L44-A46 PolarHBondContact O-N 3.47Å; L44-S47 PolarHBondContact O-N 2.84Å; L44-Y48 VanDerWaalsContact O-CB 3.31Å; L44-Y48 WeakPolarHBondContact O-CB 3.38Å; L44-Y48 PolarHBondContact O-N 3.04Å; L44-L110 HydrophobicContact CD1-CD1 3.43Å; L44-L110 VanDerWaalsContact CD1-CD1 3.43Å; L44-L110 HydrophobicContact CG-CD1 4.34Å
45V82Confident78.9Confident69 Ų6977.7 Ų77.742%0.41843%0.426SS..Hα-helixtrans-60.8-45.2179.8171.20000111.3Q41 S47 Y48 Q49Q41-V45 VanDerWaalsContact O-CG2 3.3Å; Q41-V45 WeakPolarHBondContact O-CG2 3.46Å; Q41-V45 PolarHBondContact O-N 3.47Å; Q41-V45 VanDerWaalsContact O-N 3.15Å; V45-S47 PolarHBondContact O-N 2.93Å; V45-Y48 PolarHBondContact O-N 3.13Å; V45-Q49 WeakPolarHBondContact O-CG 3.45Å; V45-Q49 PolarHBondContact O-N 2.95Å
46A78.4Confident79.6Confident36 Ų3676.1 Ų76.130%0.29842%0.419SS..Hα-helixtrans-63.8-42.5178.900000112K42 L44 Q49 V50K42-A46 WeakPolarHBondContact O-CB 3.49Å; K42-A46 PolarHBondContact O-N 2.91Å; K42-A46 VanDerWaalsContact O-N 3.1Å; L44-A46 PolarHBondContact O-N 3.47Å; A46-Q49 PolarHBondContact O-N 3.29Å; A46-V50 WeakPolarHBondContact O-CG2 3.27Å; A46-V50 PolarHBondContact O-N 3.37Å
47S76.9Confident80.6Confident20 Ų2071.7 Ų71.714%0.1438%0.382CS..Hα-helixtrans-66-39177.8-69.10000112.4G43 L44 V45 G51 R114G43-S47 VanDerWaalsContact O-CB 3.28Å; G43-S47 WeakPolarHBondContact O-CB 3.27Å; G43-S47 PolarHBondContact O-N 3.36Å; G43-S47 PolarHBondContact O-OG 3.03Å; L44-S47 PolarHBondContact O-N 2.84Å; V45-S47 PolarHBondContact O-N 2.93Å; S47-G51 PolarHBondContact O-N 3.37Å; S47-G51 VanDerWaalsContact O-N 3.11Å; S47-R114 PolarHBondContact OG-NH2 3.5Å
48Y83.4Confident81.6Confident129 Ų12968.5 Ų68.551%0.50636%0.359SS..Hα-helixtrans-64.2-46176.1177.6-103.8000112.1L44 V45 V50 G51 Q52L44-Y48 VanDerWaalsContact O-CB 3.31Å; L44-Y48 WeakPolarHBondContact O-CB 3.38Å; L44-Y48 PolarHBondContact O-N 3.04Å; V45-Y48 PolarHBondContact O-N 3.13Å; Y48-V50 PolarHBondContact O-N 3.03Å; Y48-G51 WeakPolarHBondContact O-CA 3.4Å; Y48-G51 PolarHBondContact O-N 3.44Å; Y48-G51 VanDerWaalsContact O-N 3.09Å; Y48-Q52 HydrophobicContact CD1-CG 4.2Å; Y48-Q52 HydrophobicContact CE1-CG 3.79Å; Y48-Q52 VanDerWaalsContact CE1-NE2 3.25Å; Y48-Q52 VanDerWaalsContact CE1-OE1 3.26Å; Y48-Q52 HydrophobicContact CE2-CG 4.22Å; Y48-Q52 VanDerWaalsContact CZ-CD 3.48Å; Y48-Q52 VanDerWaalsContact CZ-NE2 3.32Å; Y48-Q52 WeakPolarHBondContact O-CG 3.29Å; Y48-Q52 PolarHBondContact O-N 3.22Å; Y48-Q52 PolarHBondContact OH-NE2 3.02Å
49Q88.4Confident83.1Confident104 Ų10461 Ų6149%0.48632%0.323SS..Hα-helixtrans-56.9-47.8177.4-75.8173.2-14.600112V45 A46 G51 Q52 D53V45-Q49 WeakPolarHBondContact O-CG 3.45Å; V45-Q49 PolarHBondContact O-N 2.95Å; A46-Q49 PolarHBondContact O-N 3.29Å; Q49-G51 VanDerWaalsContact C-N 3.3Å; Q49-G51 PolarHBondContact O-N 3.11Å; Q49-Q52 WeakPolarHBondContact O-CB 3.41Å; Q49-Q52 PolarHBondContact O-N 3.17Å; Q49-Q52 VanDerWaalsContact O-N 3.14Å; Q49-D53 PolarHBondContact O-N 2.73Å
50V86.4Confident84.4Confident25 Ų2560 Ų6015%0.15232%0.32CS..Hα-helixtrans-60.5-41.4176.2175.10000111A46 Y48 Q52 D53 L54 A226A46-V50 WeakPolarHBondContact O-CG2 3.27Å; A46-V50 PolarHBondContact O-N 3.37Å; Y48-V50 PolarHBondContact O-N 3.03Å; V50-Q52 VanDerWaalsContact C-N 3.34Å; V50-Q52 PolarHBondContact O-N 2.92Å; V50-D53 PolarHBondContact O-N 3.12Å; V50-L54 WeakPolarHBondContact O-CG 3.4Å; V50-L54 PolarHBondContact O-N 3.32Å; V50-L54 VanDerWaalsContact O-N 3.11Å; V50-A226 HydrophobicContact CG1-CB 3.52Å
51G85.9Confident85.3Confident15 Ų1554.6 Ų54.616%0.15529%0.291CS..Hα-helixtrans-61.9-39.1175.500000113.5S47 Y48 Q49 T55S47-G51 PolarHBondContact O-N 3.37Å; S47-G51 VanDerWaalsContact O-N 3.11Å; Y48-G51 WeakPolarHBondContact O-CA 3.4Å; Y48-G51 PolarHBondContact O-N 3.44Å; Y48-G51 VanDerWaalsContact O-N 3.09Å; Q49-G51 VanDerWaalsContact C-N 3.3Å; Q49-G51 PolarHBondContact O-N 3.11Å; G51-T55 PolarHBondContact O-N 2.87Å; G51-T55 VanDerWaalsContact O-N 3.11Å; G51-T55 PolarHBondContact O-OG1 3.01Å
52Q90.5Very high86Confident84 Ų8447.6 Ų47.639%0.39326%0.258SS..Hα-helixtrans-63.9-46.7174.7-69.6-173.7-56.900111.4Y48 Q49 V50 L54 T55 V56Y48-Q52 HydrophobicContact CD1-CG 4.2Å; Y48-Q52 HydrophobicContact CE1-CG 3.79Å; Y48-Q52 VanDerWaalsContact CE1-NE2 3.25Å; Y48-Q52 VanDerWaalsContact CE1-OE1 3.26Å; Y48-Q52 HydrophobicContact CE2-CG 4.22Å; Y48-Q52 VanDerWaalsContact CZ-CD 3.48Å; Y48-Q52 VanDerWaalsContact CZ-NE2 3.32Å; Y48-Q52 WeakPolarHBondContact O-CG 3.29Å; Y48-Q52 PolarHBondContact O-N 3.22Å; Y48-Q52 PolarHBondContact OH-NE2 3.02Å; Q49-Q52 WeakPolarHBondContact O-CB 3.41Å; Q49-Q52 PolarHBondContact O-N 3.17Å; Q49-Q52 VanDerWaalsContact O-N 3.14Å; V50-Q52 VanDerWaalsContact C-N 3.34Å; V50-Q52 PolarHBondContact O-N 2.92Å; Q52-L54 VanDerWaalsContact C-N 3.33Å; Q52-L54 PolarHBondContact O-N 2.97Å; Q52-T55 PolarHBondContact O-N 3.49Å; Q52-T55 VanDerWaalsContact O-N 3.1Å; Q52-V56 WeakPolarHBondContact O-CG2 3.3Å; Q52-V56 PolarHBondContact O-N 3.26Å
53D92.8Very high86.6Confident36 Ų3639.5 Ų39.519%0.19322%0.223CC..Hα-helixtrans-56.8-46.6178.9-67.5-7.8000111.2Q49 V50 T55 V56 M57 F219 S222Q49-D53 PolarHBondContact O-N 2.73Å; V50-D53 PolarHBondContact O-N 3.12Å; D53-T55 VanDerWaalsContact C-N 3.33Å; D53-T55 PolarHBondContact O-N 2.88Å; D53-V56 PolarHBondContact O-N 2.9Å; D53-M57 VanDerWaalsContact O-CB 3.26Å; D53-M57 WeakPolarHBondContact O-CB 3.38Å; D53-M57 PolarHBondContact O-N 2.72Å; D53-F219 HydrophobicContact CB-CB 4.43Å; D53-F219 HydrophobicContact CB-CD1 3.59Å; D53-F219 HydrophobicContact CB-CE1 4.19Å; D53-F219 HydrophobicContact CB-CG 4.27Å; D53-F219 VanDerWaalsContact CG-CD1 3.41Å; D53-F219 WeakPolarHBondContact OD1-CD1 3.32Å; D53-F219 WeakPolarHBondContact OD1-CE1 3.36Å; D53-S222 VanDerWaalsContact OD2-CB 3.26Å; D53-S222 WeakPolarHBondContact OD2-CB 3.47Å; D53-S222 PolarHBondContact OD2-OG 2.79Å
54L90.8Very high87.2Confident1 Ų140.9 Ų40.91%0.00522%0.22CC..Hα-helixtrans-61-41.3176.3-65.4178.2000112.4V50 Q52 M57 A58 R114 T117 M118 L121 F223 A226V50-L54 WeakPolarHBondContact O-CG 3.4Å; V50-L54 PolarHBondContact O-N 3.32Å; V50-L54 VanDerWaalsContact O-N 3.11Å; Q52-L54 VanDerWaalsContact C-N 3.33Å; Q52-L54 PolarHBondContact O-N 2.97Å; L54-M57 PolarHBondContact O-N 2.62Å; L54-A58 WeakPolarHBondContact O-CB 3.45Å; L54-A58 PolarHBondContact O-N 2.93Å; L54-R114 HydrophobicContact CD1-CB 4.22Å; L54-R114 HydrophobicContact CD1-CG 4.19Å; L54-T117 HydrophobicContact CB-CG2 3.88Å; L54-M118 HydrophobicContact CD1-CE 3.99Å; L54-M118 HydrophobicContact CD1-CG 4.29Å; L54-M118 HydrophobicContact CD1-SD 4.45Å; L54-M118 HydrophobicContact CD2-CE 3.35Å; L54-M118 HydrophobicContact CD2-SD 3.95Å; L54-M118 HydrophobicContact CG-CE 4.32Å; L54-L121 HydrophobicContact CB-CD1 4.47Å; L54-L121 HydrophobicContact CD2-CD1 4.44Å; L54-F223 HydrophobicContact CD2-CB 4.07Å; L54-F223 HydrophobicContact CD2-CD2 3.65Å; L54-F223 HydrophobicContact CD2-CG 4.25Å; L54-A226 HydrophobicContact CD1-CB 4.04Å; L54-A226 HydrophobicContact CD2-CB 4.32Å
55T91.4Very high87.4Confident66 Ų6637.2 Ų37.241%0.40520%0.201SC..Hα-helixtrans-68.6-41.5-179.1-54.60000111.2G51 Q52 D53 M57 A58 A59G51-T55 PolarHBondContact O-N 2.87Å; G51-T55 VanDerWaalsContact O-N 3.11Å; G51-T55 PolarHBondContact O-OG1 3.01Å; Q52-T55 PolarHBondContact O-N 3.49Å; Q52-T55 VanDerWaalsContact O-N 3.1Å; D53-T55 VanDerWaalsContact C-N 3.33Å; D53-T55 PolarHBondContact O-N 2.88Å; T55-M57 VanDerWaalsContact C-N 3.34Å; T55-A58 PolarHBondContact O-N 2.71Å; T55-A59 VanDerWaalsContact O-CB 3.31Å; T55-A59 WeakPolarHBondContact O-CB 3.27Å; T55-A59 PolarHBondContact O-N 2.91Å
56V93.7Very high87Confident41 Ų4134.4 Ų34.425%0.24818%0.184CC..Hα-helixtrans-63.4-43.9174.5169.70000110.4Q52 D53 A58 I60 G61 F215 F219Q52-V56 WeakPolarHBondContact O-CG2 3.3Å; Q52-V56 PolarHBondContact O-N 3.26Å; D53-V56 PolarHBondContact O-N 2.9Å; V56-A58 VanDerWaalsContact C-N 3.32Å; V56-A58 PolarHBondContact O-N 2.92Å; V56-I60 HydrophobicContact CG1-CD1 4.37Å; V56-I60 WeakPolarHBondContact O-CA 3.28Å; V56-I60 WeakPolarHBondContact O-CB 3.19Å; V56-I60 PolarHBondContact O-N 3.31Å; V56-G61 PolarHBondContact O-N 3.4Å; V56-G61 VanDerWaalsContact O-N 3.08Å; V56-F215 HydrophobicContact CG1-CD1 3.45Å; V56-F215 VanDerWaalsContact CG1-CD1 3.45Å; V56-F215 HydrophobicContact CG1-CE1 3.84Å; V56-F215 HydrophobicContact CG1-CG 4.45Å; V56-F219 HydrophobicContact CB-CD2 4.47Å; V56-F219 HydrophobicContact CB-CE2 4.36Å; V56-F219 HydrophobicContact CG1-CD2 3.83Å; V56-F219 HydrophobicContact CG1-CE2 3.56Å; V56-F219 HydrophobicContact CG1-CZ 4.33Å
57M91.8Very high86.6Confident7 Ų732.7 Ų32.73%0.03417%0.17CC..Iπ-helixtrans-60.8-41.9177.4-160.9-177.790.300111.8D53 L54 T55 G61 L62 L121 L216 F219 F223D53-M57 VanDerWaalsContact O-CB 3.26Å; D53-M57 WeakPolarHBondContact O-CB 3.38Å; D53-M57 PolarHBondContact O-N 2.72Å; L54-M57 PolarHBondContact O-N 2.62Å; T55-M57 VanDerWaalsContact C-N 3.34Å; M57-G61 CarbonylContact O-C 3.6Å; M57-G61 WeakPolarHBondContact O-CA 3.47Å; M57-G61 PolarHBondContact O-N 3Å; M57-L62 PolarHBondContact O-N 2.98Å; M57-L121 HydrophobicContact CE-CD1 4.28Å; M57-L121 HydrophobicContact CE-CD2 4.06Å; M57-L216 HydrophobicContact CB-CD2 4.47Å; M57-L216 HydrophobicContact CE-CD2 4.46Å; M57-L216 HydrophobicContact CG-CD2 3.28Å; M57-L216 HydrophobicContact CG-CG 4.49Å; M57-L216 WeakPolarHBondContact O-CD2 3.47Å; M57-L216 HydrophobicContact SD-CD2 4.2Å; M57-F219 HydrophobicContact CB-CB 4.27Å; M57-F219 HydrophobicContact CG-CB 4.43Å; M57-F223 HydrophobicContact CE-CB 3.86Å; M57-F223 HydrophobicContact CE-CD1 4.42Å; M57-F223 HydrophobicContact CE-CD2 3.04Å; M57-F223 HydrophobicContact CE-CE2 3.56Å; M57-F223 HydrophobicContact CE-CG 3.53Å; M57-F223 HydrophobicContact CE-CZ 4.47Å; M57-F223 HydrophobicContact SD-CB 3.71Å; M57-F223 HydrophobicContact SD-CD2 4.05Å; M57-F223 HydrophobicContact SD-CG 4.08Å
58A90.4Very high86Confident0 Ų034.1 Ų34.10%018%0.18CC..Iπ-helixtrans-69.1-59.2177.200000112.2L54 T55 V56 L62 G63 N80 L84 L121 L124L54-A58 WeakPolarHBondContact O-CB 3.45Å; L54-A58 PolarHBondContact O-N 2.93Å; T55-A58 PolarHBondContact O-N 2.71Å; V56-A58 VanDerWaalsContact C-N 3.32Å; V56-A58 PolarHBondContact O-N 2.92Å; A58-L62 PolarHBondContact O-N 3.12Å; A58-G63 PolarHBondContact O-N 3.18Å; A58-N80 PolarHBondContact O-OD1 3.17Å; A58-N80 VanDerWaalsContact O-OD1 3.06Å; A58-L84 HydrophobicContact CB-CD1 3.65Å; A58-L84 HydrophobicContact CB-CD2 3.5Å; A58-L84 VanDerWaalsContact CB-CD2 3.5Å; A58-L84 HydrophobicContact CB-CG 4.18Å; A58-L121 HydrophobicContact CB-CD1 4.32Å; A58-L121 HydrophobicContact CB-CD2 3.44Å; A58-L121 VanDerWaalsContact CB-CD2 3.44Å; A58-L121 HydrophobicContact CB-CG 3.83Å; A58-L124 HydrophobicContact CB-CD1 3.94Å
59A90.6Very high85.1Confident23 Ų2331.1 Ų31.119%0.1917%0.17CC..Iπ-helixtrans-73.1-43.3-169.700000113.1T55 L81 L84T55-A59 VanDerWaalsContact O-CB 3.31Å; T55-A59 WeakPolarHBondContact O-CB 3.27Å; T55-A59 PolarHBondContact O-N 2.91Å; A59-L81 HydrophobicContact CB-CD1 4.17Å; A59-L84 HydrophobicContact CB-CD2 3.95Å
60I91Very high83.9Confident57 Ų5730.7 Ų30.729%0.29216%0.164SC..Iπ-helixtrans-95.6-49.3-178-57.7178.7000109.7V56 F64 F215V56-I60 HydrophobicContact CG1-CD1 4.37Å; V56-I60 WeakPolarHBondContact O-CA 3.28Å; V56-I60 WeakPolarHBondContact O-CB 3.19Å; V56-I60 PolarHBondContact O-N 3.31Å; I60-F64 HydrophobicContact CG2-CD2 3.86Å; I60-F64 HydrophobicContact CG2-CE2 4.28Å; I60-F64 VanDerWaalsContact O-CB 3.31Å; I60-F64 WeakPolarHBondContact O-CB 3.28Å; I60-F64 WeakPolarHBondContact O-CD2 3.44Å; I60-F64 PolarHBondContact O-N 3.24Å; I60-F215 HydrophobicContact CB-CG 4.45Å; I60-F215 HydrophobicContact CG2-CB 4.41Å; I60-F215 HydrophobicContact CG2-CD1 4.32Å; I60-F215 HydrophobicContact CG2-CD2 3.5Å; I60-F215 VanDerWaalsContact CG2-CD2 3.5Å; I60-F215 HydrophobicContact CG2-CE2 3.76Å; I60-F215 HydrophobicContact CG2-CG 3.82Å; I60-F215 HydrophobicContact CG2-CZ 4.29Å
61G89.6Confident83Confident0 Ų034.2 Ų34.20%017%0.174CC..Iπ-helixtrans-57.7-69.1-177.400000112.5V56 M57 L65 G212V56-G61 PolarHBondContact O-N 3.4Å; V56-G61 VanDerWaalsContact O-N 3.08Å; M57-G61 CarbonylContact O-C 3.6Å; M57-G61 WeakPolarHBondContact O-CA 3.47Å; M57-G61 PolarHBondContact O-N 3Å; G61-L65 WeakPolarHBondContact O-CB 3.37Å; G61-L65 PolarHBondContact O-N 2.94Å; G61-G212 WeakPolarHBondContact CA-O 3.33Å; G61-G212 CarbonylContact O-C 3.41Å; G61-G212 VanDerWaalsContact O-CA 3.22Å; G61-G212 WeakPolarHBondContact O-CA 3.46Å
62L87.7Confident82.4Confident5 Ų533.8 Ų33.83%0.02617%0.168CC..Iπ-helixtrans-69.2-35.3-179.4-65.2178.5000112.9M57 A58 F64 L65 T66 L121 L124 I125 L216M57-L62 PolarHBondContact O-N 2.98Å; A58-L62 PolarHBondContact O-N 3.12Å; L62-F64 PolarHBondContact O-N 3.49Å; L62-L65 HydrophobicContact CD2-CD2 4.18Å; L62-L65 PolarHBondContact O-N 3.33Å; L62-T66 WeakPolarHBondContact O-CG2 3.41Å; L62-T66 PolarHBondContact O-N 2.99Å; L62-T66 PolarHBondContact O-OG1 2.89Å; L62-L121 HydrophobicContact CD1-CD2 3.53Å; L62-L121 HydrophobicContact CG-CD2 4.46Å; L62-L124 HydrophobicContact CB-CB 4.37Å; L62-L124 HydrophobicContact CB-CD1 4.45Å; L62-L124 HydrophobicContact CD1-CB 3.41Å; L62-L124 VanDerWaalsContact CD1-CB 3.41Å; L62-L124 HydrophobicContact CD1-CD1 4.01Å; L62-L124 HydrophobicContact CD1-CG 4.35Å; L62-I125 HydrophobicContact CD1-CG1 4.28Å; L62-L216 HydrophobicContact CD2-CD1 3.91Å; L62-L216 HydrophobicContact CD2-CD2 4.03Å; L62-L216 HydrophobicContact CG-CD2 4.05Å
63G85.6Confident81.8Confident0 Ų031 Ų310%016%0.158CC..Hα-helixtrans-58.8-44.5177.600000113.3A58 T66 V77 N80A58-G63 PolarHBondContact O-N 3.18Å; G63-T66 PolarHBondContact O-OG1 2.81Å; G63-T66 VanDerWaalsContact O-OG1 3.05Å; G63-V77 WeakPolarHBondContact O-CG2 3.36Å; G63-N80 VanDerWaalsContact CA-CG 3.48Å; G63-N80 PolarHBondContact N-ND2 3.42Å
64F86.5Confident81.3Confident60 Ų6036.9 Ų36.926%0.26318%0.177SC..Hα-helixtrans-85.7-27.5175.7-78.5-82.8000113.2I60 L62 T66 S67 V77 S208 A209I60-F64 HydrophobicContact CG2-CD2 3.86Å; I60-F64 HydrophobicContact CG2-CE2 4.28Å; I60-F64 VanDerWaalsContact O-CB 3.31Å; I60-F64 WeakPolarHBondContact O-CB 3.28Å; I60-F64 WeakPolarHBondContact O-CD2 3.44Å; I60-F64 PolarHBondContact O-N 3.24Å; L62-F64 PolarHBondContact O-N 3.49Å; F64-T66 PolarHBondContact O-N 2.69Å; F64-S67 WeakPolarHBondContact O-CB 3.27Å; F64-S67 PolarHBondContact O-N 3.18Å; F64-S67 PolarHBondContact O-OG 3.32Å; F64-V77 HydrophobicContact CD1-CG2 4.11Å; F64-V77 HydrophobicContact CD2-CG2 4.46Å; F64-V77 HydrophobicContact CE1-CG2 4.12Å; F64-V77 HydrophobicContact CE2-CG1 4.39Å; F64-V77 HydrophobicContact CE2-CG2 4.45Å; F64-V77 HydrophobicContact CG-CG2 4.31Å; F64-V77 HydrophobicContact CZ-CG2 4.3Å; F64-S208 WeakPolarHBondContact CB-O 3.48Å; F64-A209 VanDerWaalsContact O-CA 3.27Å; F64-A209 WeakPolarHBondContact O-CA 3.39Å
65L81.4Confident81Confident3 Ų336.8 Ų36.82%0.01618%0.177CC..Hα-helixtrans-55.3-41.9176.5-172.780.4000111.1G61 L62 S67 A213 L216 H271 L275G61-L65 WeakPolarHBondContact O-CB 3.37Å; G61-L65 PolarHBondContact O-N 2.94Å; L62-L65 HydrophobicContact CD2-CD2 4.18Å; L62-L65 PolarHBondContact O-N 3.33Å; L65-S67 VanDerWaalsContact C-N 3.31Å; L65-A213 HydrophobicContact CD1-CB 3.89Å; L65-L216 HydrophobicContact CB-CD1 4.1Å; L65-L216 HydrophobicContact CD1-CD1 3.89Å; L65-L216 HydrophobicContact CD2-CD1 3.69Å; L65-L216 HydrophobicContact CG-CD1 4.1Å; L65-H271 WeakPolarHBondContact CD1-CE1 3.34Å; L65-H271 WeakPolarHBondContact CD1-NE2 3.31Å; L65-H271 PolarHBondContact O-CE1 2.97Å; L65-H271 PolarHBondContact O-NE2 3.24Å; L65-L275 HydrophobicContact CD1-CD1 3.87Å; L65-L275 HydrophobicContact CD2-CD1 4.45Å
66T73.6Confident80.5Confident11 Ų1133.8 Ų33.87%0.06716%0.159CC..THydrogen-bonded Turntrans-77.2-14.3-179.249.70000113.7L62 G63 F64 S68 S76 D128 L131L62-T66 WeakPolarHBondContact O-CG2 3.41Å; L62-T66 PolarHBondContact O-N 2.99Å; L62-T66 PolarHBondContact O-OG1 2.89Å; G63-T66 PolarHBondContact O-OG1 2.81Å; G63-T66 VanDerWaalsContact O-OG1 3.05Å; F64-T66 PolarHBondContact O-N 2.69Å; T66-S68 PolarHBondContact O-N 2.69Å; T66-S76 WeakPolarHBondContact CB-OG 3.31Å; T66-S76 PolarHBondContact O-OG 2.93Å; T66-S76 PolarHBondContact OG1-OG 2.94Å; T66-D128 WeakPolarHBondContact CG2-OD1 3.45Å; T66-L131 HydrophobicContact CG2-CD2 4.11Å; T66-L131 WeakPolarHBondContact O-CD2 3.43Å
67S70.4Confident80.2Confident0 Ų033.8 Ų33.80%016%0.159CC..THydrogen-bonded Turntrans-78.224.1-179.681.40000113.8F64 L65 F69 S73 S76 S208F64-S67 WeakPolarHBondContact O-CB 3.27Å; F64-S67 PolarHBondContact O-N 3.18Å; F64-S67 PolarHBondContact O-OG 3.32Å; L65-S67 VanDerWaalsContact C-N 3.31Å; S67-F69 PolarHBondContact O-N 3.11Å; S67-S73 WeakPolarHBondContact CB-OG 3.25Å; S67-S76 PolarHBondContact N-OG 3.43Å; S67-S208 PolarHBondContact O-OG 3Å; S67-S208 WeakPolarHBondContact OG-CB 3.46Å; S67-S208 PolarHBondContact OG-OG 3.31Å
68S63.5Low80.2Confident50 Ų5035.1 Ų35.135%0.3517%0.171SC..THydrogen-bonded Turntrans-69.8-22.3177.961.60000113T66T66-S68 PolarHBondContact O-N 2.69Å
69F64.7Low80.2Confident66 Ų6636 Ų3629%0.28917%0.174SC..SBendtrans-81.3122178-64.3-75.3000111.9S67 R71 H72 S73 L131 F402S67-F69 PolarHBondContact O-N 3.11Å; F69-R71 VanDerWaalsContact C-N 3.32Å; F69-R71 PolarHBondContact O-N 3.36Å; F69-H72 HydrophobicContact CB-CB 3.87Å; F69-H72 PolarHBondContact O-N 3.08Å; F69-H72 VanDerWaalsContact O-N 3.15Å; F69-S73 PolarHBondContact O-N 3.38Å; F69-L131 HydrophobicContact CD2-CD2 3.98Å; F69-L131 HydrophobicContact CE2-CD2 3.98Å; F69-F402 AromaticContact CD1-CD1 3.9Å; F69-F402 HydrophobicContact CD1-CD1 3.9Å; F69-F402 HydrophobicContact CD1-CE1 4.43Å; F69-F402 HydrophobicContact CD1-CG 4.42Å; F69-F402 HydrophobicContact CD2-CD1 4.15Å; F69-F402 AromaticContact CE1-CD1 3.94Å; F69-F402 HydrophobicContact CE1-CD1 3.94Å; F69-F402 HydrophobicContact CE1-CE1 4.01Å; F69-F402 HydrophobicContact CE2-CD1 4.18Å; F69-F402 HydrophobicContact CE2-CE1 4.1Å; F69-F402 HydrophobicContact CG-CD1 4.01Å; F69-F402 HydrophobicContact CZ-CD1 4.09Å; F69-F402 AromaticContact CZ-CE1 3.83Å; F69-F402 HydrophobicContact CZ-CE1 3.83Å
70R63.2Low80.2Confident95 Ų9535 Ų3536%0.35817%0.166SC..THydrogen-bonded Turntrans-53.6-42.8-174.5-173169.8-179.3-164.7-7.5113.7A202 I204 G416 F417R70-A202 WeakPolarHBondContact CD-O 3.05Å; R70-I204 WeakPolarHBondContact CG-O 3.33Å; R70-G416 PolarHBondContact NH2-O 3.16Å; R70-F417 PolarHBondContact NE-OXT 2.94Å; R70-F417 PolarHBondContact NH2-OXT 3.1Å
71R68.1Low80.3Confident98 Ų9837.1 Ų37.137%0.3718%0.177SC..THydrogen-bonded Turntrans-100.87.4-178.4-67.6-172.1179.1168.95.8114.6F69 F402 D403 D404F69-R71 VanDerWaalsContact C-N 3.32Å; F69-R71 PolarHBondContact O-N 3.36Å; R71-F402 CarbonylContact C-O 3.6Å; R71-F402 VanDerWaalsContact C-O 3.3Å; R71-F402 WeakPolarHBondContact CB-O 3.36Å; R71-D403 CarbonylContact O-C 3.56Å; R71-D404 WeakPolarHBondContact O-CA 3.37Å; R71-D404 WeakPolarHBondContact O-CB 3.42Å; R71-D404 PolarHBondContact O-N 3.08Å
72H73.3Confident80.5Confident6 Ų640.4 Ų40.43%0.02819%0.192CC..THydrogen-bonded Turntrans-123.89.7-179.1-167.8-94000113.6F69 W74 S75 S76 F402 D404F69-H72 HydrophobicContact CB-CB 3.87Å; F69-H72 PolarHBondContact O-N 3.08Å; F69-H72 VanDerWaalsContact O-N 3.15Å; H72-W74 PolarHBondContact O-N 3.24Å; H72-S75 WeakPolarHBondContact NE2-CB 3.35Å; H72-S75 PolarHBondContact O-N 3.2Å; H72-S76 WeakPolarHBondContact O-CB 3.25Å; H72-S76 PolarHBondContact O-N 3.29Å; H72-F402 HydrophobicContact CB-CB 4.44Å; H72-D404 VanDerWaalsContact CA-CG 3.42Å; H72-D404 WeakPolarHBondContact CA-OD1 3.37Å; H72-D404 VanDerWaalsContact CA-OD2 3.28Å; H72-D404 WeakPolarHBondContact CA-OD2 3.29Å; H72-D404 IonicContact CD2-OD1 4Å
73S77.1Confident80.8Confident26 Ų2640.4 Ų40.418%0.18219%0.192CC..Hα-helixtrans-62.3-38.3-172.8-176.60000113.2S67 F69 S76 V77 D404S67-S73 WeakPolarHBondContact CB-OG 3.25Å; F69-S73 PolarHBondContact O-N 3.38Å; S73-S76 WeakPolarHBondContact O-CB 3.38Å; S73-S76 PolarHBondContact O-N 3.44Å; S73-V77 PolarHBondContact O-N 3.4Å; S73-D404 PolarHBondContact N-OD2 2.9Å; S73-D404 VanDerWaalsContact N-OD2 3.09Å
74W82.1Confident81.3Confident159 Ų15940.9 Ų40.960%0.60220%0.195SC*.Hα-helixtrans-70-46.7-179.2-73.790.2000111.9H72 S76 V77 A78 D404 W408H72-W74 PolarHBondContact O-N 3.24Å; W74-S76 VanDerWaalsContact C-N 3.25Å; W74-S76 PolarHBondContact O-N 2.98Å; W74-V77 PolarHBondContact O-N 3.3Å; W74-A78 VanDerWaalsContact O-CB 3.28Å; W74-A78 WeakPolarHBondContact O-CB 3.15Å; W74-A78 PolarHBondContact O-N 2.78Å; W74-D404 WeakPolarHBondContact CB-OD2 3.33Å; W74-D404 PolarHBondContact N-OD2 2.98Å; W74-W408 HydrophobicContact CB-CD2 4Å; W74-W408 HydrophobicContact CB-CG 4.18Å; W74-W408 HydrophobicContact CB-CZ2 4.35Å
75S84.2Confident81.7Confident0 Ų040.7 Ų40.70%020%0.204CC..Hα-helixtrans-62.4-36.8175.3-61.40000111.1H72 F79 D404 W408H72-S75 WeakPolarHBondContact NE2-CB 3.35Å; H72-S75 PolarHBondContact O-N 3.2Å; S75-F79 WeakPolarHBondContact O-CB 3.47Å; S75-F79 WeakPolarHBondContact O-CG 3.44Å; S75-F79 PolarHBondContact O-N 2.59Å; S75-D404 WeakPolarHBondContact CB-OD1 3.34Å; S75-D404 PolarHBondContact N-OD1 3.46Å; S75-D404 PolarHBondContact OG-OD1 2.82Å; S75-W408 PolarHBondContact OG-NE1 2.91Å
76S82.5Confident82.3Confident3 Ų340.9 Ų40.92%0.02121%0.205CC..Hα-helixtrans-55.1-58.1176.9-138.20000112.1T66 S67 H72 S73 W74 N80T66-S76 WeakPolarHBondContact CB-OG 3.31Å; T66-S76 PolarHBondContact O-OG 2.93Å; T66-S76 PolarHBondContact OG1-OG 2.94Å; S67-S76 PolarHBondContact N-OG 3.43Å; H72-S76 WeakPolarHBondContact O-CB 3.25Å; H72-S76 PolarHBondContact O-N 3.29Å; S73-S76 WeakPolarHBondContact O-CB 3.38Å; S73-S76 PolarHBondContact O-N 3.44Å; W74-S76 VanDerWaalsContact C-N 3.25Å; W74-S76 PolarHBondContact O-N 2.98Å; S76-N80 WeakPolarHBondContact O-CB 3.22Å; S76-N80 PolarHBondContact O-N 3.04Å; S76-N80 VanDerWaalsContact O-N 3.1Å
77V87.6Confident83.4Confident41 Ų4140.3 Ų40.325%0.24820%0.201CC..Hα-helixtrans-70.5-46.1-174.7179.60000111G63 F64 S73 W74 N80 L81G63-V77 WeakPolarHBondContact O-CG2 3.36Å; F64-V77 HydrophobicContact CD1-CG2 4.11Å; F64-V77 HydrophobicContact CD2-CG2 4.46Å; F64-V77 HydrophobicContact CE1-CG2 4.12Å; F64-V77 HydrophobicContact CE2-CG1 4.39Å; F64-V77 HydrophobicContact CE2-CG2 4.45Å; F64-V77 HydrophobicContact CG-CG2 4.31Å; F64-V77 HydrophobicContact CZ-CG2 4.3Å; S73-V77 PolarHBondContact O-N 3.4Å; W74-V77 PolarHBondContact O-N 3.3Å; V77-N80 PolarHBondContact O-N 2.87Å; V77-L81 PolarHBondContact O-N 2.85Å
78A90Very high84.6Confident34 Ų3441.6 Ų41.628%0.28121%0.209SC..Hα-helixtrans-71.5-42.2-174.600000112.9W74 N80 L81 F82 W408W74-A78 VanDerWaalsContact O-CB 3.28Å; W74-A78 WeakPolarHBondContact O-CB 3.15Å; W74-A78 PolarHBondContact O-N 2.78Å; A78-N80 VanDerWaalsContact C-N 3.33Å; A78-L81 PolarHBondContact O-N 3.22Å; A78-F82 WeakPolarHBondContact O-CB 3.38Å; A78-F82 PolarHBondContact O-N 3.37Å; A78-W408 HydrophobicContact CB-CH2 3.57Å; A78-W408 HydrophobicContact CB-CZ2 3.49Å; A78-W408 VanDerWaalsContact CB-CZ2 3.49Å
79F90.6Very high86.2Confident18 Ų1841.6 Ų41.68%0.07920%0.204CC..Hα-helixtrans-70.1-34.8176.8-60.5-12.3000110.7S75 F82 M83 L136 L139 F407 W408S75-F79 WeakPolarHBondContact O-CB 3.47Å; S75-F79 WeakPolarHBondContact O-CG 3.44Å; S75-F79 PolarHBondContact O-N 2.59Å; F79-F82 PolarHBondContact O-N 3.49Å; F79-M83 WeakPolarHBondContact O-CB 3.4Å; F79-M83 WeakPolarHBondContact O-CE 3.18Å; F79-M83 VanDerWaalsContact O-CG 3.23Å; F79-M83 WeakPolarHBondContact O-CG 3.25Å; F79-M83 PolarHBondContact O-N 2.88Å; F79-L136 HydrophobicContact CB-CD1 4.18Å; F79-L136 HydrophobicContact CD1-CB 4.24Å; F79-L136 HydrophobicContact CD1-CD1 3.79Å; F79-L136 HydrophobicContact CD1-CD2 4.04Å; F79-L136 HydrophobicContact CD1-CG 4.26Å; F79-L136 HydrophobicContact CE1-CB 3.98Å; F79-L136 HydrophobicContact CE1-CD1 4.35Å; F79-L136 HydrophobicContact CE1-CD2 3.94Å; F79-L136 HydrophobicContact CE1-CG 4.33Å; F79-L136 HydrophobicContact CE2-CB 4.28Å; F79-L136 HydrophobicContact CG-CD1 3.96Å; F79-L136 HydrophobicContact CZ-CB 4.01Å; F79-L139 HydrophobicContact CB-CD1 3.82Å; F79-L139 HydrophobicContact CD2-CD1 3.74Å; F79-L139 HydrophobicContact CG-CD1 4.11Å; F79-F407 HydrophobicContact CE2-CD2 4.25Å; F79-F407 HydrophobicContact CE2-CE2 4.41Å; F79-F407 HydrophobicContact CZ-CB 4.32Å; F79-F407 HydrophobicContact CZ-CD2 4.11Å; F79-F407 HydrophobicContact CZ-CG 4.07Å; F79-W408 HydrophobicContact CE1-CZ2 4.47Å
80N91.7Very high87.6Confident4 Ų440.9 Ų40.92%0.02120%0.199CC..Hα-helixtrans-57.9-50.4173.1-175.4-71.7000111.7A58 G63 S76 V77 A78 F82 M83 L84A58-N80 PolarHBondContact O-OD1 3.17Å; A58-N80 VanDerWaalsContact O-OD1 3.06Å; G63-N80 VanDerWaalsContact CA-CG 3.48Å; G63-N80 PolarHBondContact N-ND2 3.42Å; S76-N80 WeakPolarHBondContact O-CB 3.22Å; S76-N80 PolarHBondContact O-N 3.04Å; S76-N80 VanDerWaalsContact O-N 3.1Å; V77-N80 PolarHBondContact O-N 2.87Å; A78-N80 VanDerWaalsContact C-N 3.33Å; N80-F82 VanDerWaalsContact C-N 3.32Å; N80-F82 PolarHBondContact O-N 2.95Å; N80-M83 HydrophobicContact CB-CE 4.48Å; N80-M83 PolarHBondContact O-N 3.46Å; N80-L84 WeakPolarHBondContact O-CB 3.44Å; N80-L84 PolarHBondContact O-N 3.39Å
81L93.1Very high89.1Confident100 Ų10036.4 Ų36.452%0.52418%0.182SC..Hα-helixtrans-61-41.3176.7-178.162.3000112.4A59 V77 A78 L84 A85A59-L81 HydrophobicContact CB-CD1 4.17Å; V77-L81 PolarHBondContact O-N 2.85Å; A78-L81 PolarHBondContact O-N 3.22Å; L81-L84 PolarHBondContact O-N 2.99Å; L81-A85 PolarHBondContact O-N 3.29Å
82F93.4Very high90.3Very high69 Ų6932.5 Ų32.530%0.30317%0.168SC..Hα-helixtrans-62.1-46.7177.5-178.8-82.8000111.8A17 A78 F79 N80 L84 A85 L86 L136 V140A17-F82 HydrophobicContact CB-CZ 4.39Å; A78-F82 WeakPolarHBondContact O-CB 3.38Å; A78-F82 PolarHBondContact O-N 3.37Å; F79-F82 PolarHBondContact O-N 3.49Å; N80-F82 VanDerWaalsContact C-N 3.32Å; N80-F82 PolarHBondContact O-N 2.95Å; F82-L84 VanDerWaalsContact C-N 3.34Å; F82-L84 PolarHBondContact O-N 2.86Å; F82-A85 PolarHBondContact O-N 3.36Å; F82-L86 HydrophobicContact CE1-CD2 4.19Å; F82-L86 WeakPolarHBondContact O-CB 3.34Å; F82-L86 PolarHBondContact O-N 3.29Å; F82-L136 HydrophobicContact CB-CD1 4.41Å; F82-L136 HydrophobicContact CD1-CD1 3.61Å; F82-L136 HydrophobicContact CD1-CG 4.46Å; F82-L136 HydrophobicContact CE1-CD1 4.1Å; F82-L136 HydrophobicContact CG-CD1 4.05Å; F82-V140 HydrophobicContact CE1-CG2 3.58Å; F82-V140 HydrophobicContact CZ-CG2 4.17Å
83M94.1Very high91.2Very high6 Ų632.2 Ų32.23%0.0317%0.167CC..Hα-helixtrans-64.6-38.7177.9-70.3-178.5-61.200111.9F79 N80 G87 L124 V127 L139 V143F79-M83 WeakPolarHBondContact O-CB 3.4Å; F79-M83 WeakPolarHBondContact O-CE 3.18Å; F79-M83 VanDerWaalsContact O-CG 3.23Å; F79-M83 WeakPolarHBondContact O-CG 3.25Å; F79-M83 PolarHBondContact O-N 2.88Å; N80-M83 HydrophobicContact CB-CE 4.48Å; N80-M83 PolarHBondContact O-N 3.46Å; M83-G87 WeakPolarHBondContact O-CA 3.26Å; M83-G87 PolarHBondContact O-N 3.49Å; M83-L124 HydrophobicContact CB-CD2 3.89Å; M83-L124 HydrophobicContact CE-CD2 3.78Å; M83-V127 HydrophobicContact CE-CB 4.25Å; M83-V127 HydrophobicContact CE-CG1 3.93Å; M83-V127 HydrophobicContact CE-CG2 4.06Å; M83-V127 HydrophobicContact SD-CB 4.48Å; M83-V127 HydrophobicContact SD-CG1 4.36Å; M83-V127 HydrophobicContact SD-CG2 3.67Å; M83-L139 HydrophobicContact CE-CD1 4.38Å; M83-L139 HydrophobicContact CG-CB 4.21Å; M83-L139 HydrophobicContact SD-CB 3.76Å; M83-L139 HydrophobicContact SD-CD1 3.9Å; M83-L139 HydrophobicContact SD-CD2 3.7Å; M83-L139 HydrophobicContact SD-CG 3.99Å; M83-V143 HydrophobicContact CB-CG2 3.74Å; M83-V143 HydrophobicContact CG-CG2 3.68Å; M83-V143 HydrophobicContact SD-CG2 4.28Å
84L95.3Very high91.8Very high10 Ų1031.7 Ų31.75%0.05216%0.162CC..Hα-helixtrans-60-50.5174.9178.760.5000111.2A58 A59 N80 L81 F82 L86 G87 V88 T117 A120 L124A58-L84 HydrophobicContact CB-CD1 3.65Å; A58-L84 HydrophobicContact CB-CD2 3.5Å; A58-L84 VanDerWaalsContact CB-CD2 3.5Å; A58-L84 HydrophobicContact CB-CG 4.18Å; A59-L84 HydrophobicContact CB-CD2 3.95Å; N80-L84 WeakPolarHBondContact O-CB 3.44Å; N80-L84 PolarHBondContact O-N 3.39Å; L81-L84 PolarHBondContact O-N 2.99Å; F82-L84 VanDerWaalsContact C-N 3.34Å; F82-L84 PolarHBondContact O-N 2.86Å; L84-L86 PolarHBondContact O-N 3.46Å; L84-G87 PolarHBondContact O-N 3.36Å; L84-V88 HydrophobicContact CD1-CG2 4.09Å; L84-V88 VanDerWaalsContact O-CG2 3.27Å; L84-V88 WeakPolarHBondContact O-CG2 3.39Å; L84-V88 PolarHBondContact O-N 2.9Å; L84-T117 HydrophobicContact CD1-CG2 4.45Å; L84-A120 HydrophobicContact CD1-CB 3.9Å; L84-L124 HydrophobicContact CB-CD1 4.36Å; L84-L124 HydrophobicContact CD1-CD1 4.39Å
85A95.1Very high92.1Very high55 Ų5524.7 Ų24.746%0.45514%0.136SC..Hα-helixtrans-59.8-48.8-179.900000111.7L81 F82 Q89L81-A85 PolarHBondContact O-N 3.29Å; F82-A85 PolarHBondContact O-N 3.36Å; A85-Q89 WeakPolarHBondContact O-CG 3.42Å; A85-Q89 PolarHBondContact O-N 3.5Å
86L95.4Very high92.1Very high7 Ų724.8 Ų24.84%0.03714%0.137CC..Hα-helixtrans-64.3-45.5178.4178.464.1000112L20 L24 F82 L84 V88 Q89 W90 V140 V143L20-L86 HydrophobicContact CD2-CD1 3.59Å; L20-L86 HydrophobicContact CD2-CD2 3.95Å; L20-L86 HydrophobicContact CD2-CG 4.43Å; L20-L86 HydrophobicContact CG-CD1 4.15Å; L24-L86 HydrophobicContact CD1-CD1 3.61Å; F82-L86 HydrophobicContact CE1-CD2 4.19Å; F82-L86 WeakPolarHBondContact O-CB 3.34Å; F82-L86 PolarHBondContact O-N 3.29Å; L84-L86 PolarHBondContact O-N 3.46Å; L86-V88 PolarHBondContact O-N 3.3Å; L86-Q89 PolarHBondContact O-N 3.08Å; L86-W90 WeakPolarHBondContact O-CB 3.32Å; L86-W90 PolarHBondContact O-N 3.11Å; L86-V140 HydrophobicContact CD2-CB 4.34Å; L86-V140 HydrophobicContact CD2-CG1 4.01Å; L86-V140 HydrophobicContact CD2-CG2 4.19Å; L86-V143 HydrophobicContact CB-CG1 4.5Å; L86-V143 HydrophobicContact CD2-CB 4.29Å; L86-V143 HydrophobicContact CD2-CG1 4.11Å; L86-V143 HydrophobicContact CG-CG1 4.09Å
87G96.2Very high92.2Very high0 Ų027.2 Ų27.20%015%0.148CC..Hα-helixtrans-62.6-40.6-177.500000112.5M83 L84 W90 A91M83-G87 WeakPolarHBondContact O-CA 3.26Å; M83-G87 PolarHBondContact O-N 3.49Å; L84-G87 PolarHBondContact O-N 3.36Å; G87-W90 PolarHBondContact O-N 3.24Å; G87-A91 WeakPolarHBondContact O-CB 3.44Å; G87-A91 PolarHBondContact O-N 2.9Å
88V95.6Very high92Very high26 Ų2627.4 Ų27.416%0.15815%0.147CC..Hα-helixtrans-64-49.1176.8170.70000110.9L84 L86 W90 A91 I92 A116 A120L84-V88 HydrophobicContact CD1-CG2 4.09Å; L84-V88 VanDerWaalsContact O-CG2 3.27Å; L84-V88 WeakPolarHBondContact O-CG2 3.39Å; L84-V88 PolarHBondContact O-N 2.9Å; L86-V88 PolarHBondContact O-N 3.3Å; V88-W90 VanDerWaalsContact C-N 3.32Å; V88-W90 PolarHBondContact O-N 3.41Å; V88-A91 PolarHBondContact O-N 3.32Å; V88-I92 HydrophobicContact CG1-CD1 4.02Å; V88-I92 WeakPolarHBondContact O-CG1 3.39Å; V88-I92 PolarHBondContact O-N 3.49Å; V88-A116 HydrophobicContact CG1-CB 4.25Å; V88-A120 HydrophobicContact CG2-CB 3.93Å
89Q95.9Very high91.3Very high51 Ų5127.9 Ų27.924%0.23815%0.148CC..Hα-helixtrans-59.3-45.6179-70.5178.4-8.300111.3E21 L24 F28 A85 L86 L93E21-Q89 PolarHBondContact OE1-NE2 3.38Å; E21-Q89 PolarHBondContact OE1-OE1 3.34Å; E21-Q89 PolarHBondContact OE2-OE1 3.21Å; L24-Q89 HydrophobicContact CD1-CB 4.3Å; F28-Q89 HydrophobicContact CE2-CB 4.07Å; F28-Q89 HydrophobicContact CZ-CB 4.37Å; A85-Q89 WeakPolarHBondContact O-CG 3.42Å; A85-Q89 PolarHBondContact O-N 3.5Å; L86-Q89 PolarHBondContact O-N 3.08Å; Q89-L93 PolarHBondContact O-N 3.15Å
90W95.9Very high90.2Very high51 Ų5129.7 Ų29.719%0.19316%0.157CC..Hα-helixtrans-67.5-41.2180-176.5-128.6000112.6L24 L86 G87 V88 L93 L94 L144 T148L24-W90 HydrophobicContact CD2-CE3 4.1Å; L86-W90 WeakPolarHBondContact O-CB 3.32Å; L86-W90 PolarHBondContact O-N 3.11Å; G87-W90 PolarHBondContact O-N 3.24Å; V88-W90 VanDerWaalsContact C-N 3.32Å; V88-W90 PolarHBondContact O-N 3.41Å; W90-L93 PolarHBondContact O-N 2.99Å; W90-L94 HydrophobicContact CD2-CD1 3.98Å; W90-L94 HydrophobicContact CD2-CG 4Å; W90-L94 HydrophobicContact CE3-CG 4.46Å; W90-L94 HydrophobicContact CG-CD1 4.09Å; W90-L94 HydrophobicContact CG-CG 4.49Å; W90-L94 HydrophobicContact CH2-CD2 4Å; W90-L94 HydrophobicContact CH2-CG 4.2Å; W90-L94 HydrophobicContact CZ2-CD1 3.83Å; W90-L94 HydrophobicContact CZ2-CD2 3.62Å; W90-L94 HydrophobicContact CZ2-CG 3.72Å; W90-L94 WeakPolarHBondContact O-CB 3.22Å; W90-L94 WeakPolarHBondContact O-CG 3.37Å; W90-L94 PolarHBondContact O-N 3.27Å; W90-L144 HydrophobicContact CB-CD2 4.39Å; W90-L144 HydrophobicContact CD2-CD2 3.88Å; W90-L144 HydrophobicContact CG-CD2 3.76Å; W90-L144 PolarHBondContact NE1-O 3.44Å; W90-L144 VanDerWaalsContact NE1-O 3.12Å; W90-T148 PolarHBondContact NE1-OG1 3.25Å
91A94Very high88.7Confident0 Ų035.1 Ų35.10%018%0.181CC..Hα-helixtrans-63.9-40.517800000112.4G87 V88 L93 L94 D95 A116 V147G87-A91 WeakPolarHBondContact O-CB 3.44Å; G87-A91 PolarHBondContact O-N 2.9Å; V88-A91 PolarHBondContact O-N 3.32Å; A91-L93 VanDerWaalsContact C-N 3.35Å; A91-L93 PolarHBondContact O-N 2.9Å; A91-L94 PolarHBondContact O-N 2.88Å; A91-D95 WeakPolarHBondContact O-CB 3.21Å; A91-D95 PolarHBondContact O-N 2.81Å; A91-A116 HydrophobicContact CB-CB 3.75Å; A91-V147 HydrophobicContact CB-CG1 3.62Å
92I92.8Very high87.2Confident17 Ų1736.6 Ų36.69%0.08720%0.197CC..Hα-helixtrans-58.8-47.6176.1-69.7171.1000110.7F28 V88 G96 I108 I113 A116F28-I92 HydrophobicContact CE1-CG2 4.03Å; F28-I92 HydrophobicContact CZ-CB 4.13Å; F28-I92 HydrophobicContact CZ-CG2 4.03Å; V88-I92 HydrophobicContact CG1-CD1 4.02Å; V88-I92 WeakPolarHBondContact O-CG1 3.39Å; V88-I92 PolarHBondContact O-N 3.49Å; I92-G96 PolarHBondContact O-N 3.4Å; I92-I108 HydrophobicContact CG2-CG1 4.29Å; I92-I113 HydrophobicContact CD1-CG1 4.29Å; I92-A116 HydrophobicContact CD1-CB 4.3Å; I92-A116 HydrophobicContact CG1-CB 3.44Å; I92-A116 VanDerWaalsContact CG1-CB 3.44Å
93L92.1Very high85.6Confident0 Ų037.2 Ų37.20%021%0.209CC..Hα-helixtrans-65.1-47.7179.8-70.1174.3000111.3L24 L27 F28 T32 Q89 W90 A91 G96 F97L24-L93 HydrophobicContact CD2-CD1 3.61Å; L27-L93 HydrophobicContact CB-CD1 3.82Å; L27-L93 HydrophobicContact CB-CD2 4.26Å; L27-L93 HydrophobicContact CD1-CD1 4.01Å; F28-L93 HydrophobicContact CD2-CD1 3.81Å; F28-L93 HydrophobicContact CD2-CD2 3.87Å; F28-L93 HydrophobicContact CD2-CG 3.93Å; F28-L93 HydrophobicContact CE2-CD1 3.59Å; F28-L93 HydrophobicContact CE2-CD2 3.87Å; F28-L93 HydrophobicContact CE2-CG 3.5Å; F28-L93 HydrophobicContact CG-CD2 4.29Å; F28-L93 HydrophobicContact CZ-CD2 4.29Å; F28-L93 HydrophobicContact CZ-CG 4.02Å; T32-L93 HydrophobicContact CG2-CD2 3.77Å; Q89-L93 PolarHBondContact O-N 3.15Å; W90-L93 PolarHBondContact O-N 2.99Å; A91-L93 VanDerWaalsContact C-N 3.35Å; A91-L93 PolarHBondContact O-N 2.9Å; L93-G96 PolarHBondContact O-N 2.53Å; L93-F97 HydrophobicContact CB-CD2 4.42Å; L93-F97 HydrophobicContact CB-CE2 4.04Å; L93-F97 HydrophobicContact CD2-CZ 4.41Å; L93-F97 WeakPolarHBondContact O-CB 3.33Å; L93-F97 WeakPolarHBondContact O-CD2 3.21Å; L93-F97 WeakPolarHBondContact O-CG 3.36Å; L93-F97 PolarHBondContact O-N 2.9Å
94L90.9Very high84.3Confident14 Ų1439 Ų397%0.07323%0.23CC..Hα-helixtrans-60-51.9178.8-81.6175.1000112.1W90 A91 G96 F97 L98 V147 T148W90-L94 HydrophobicContact CD2-CD1 3.98Å; W90-L94 HydrophobicContact CD2-CG 4Å; W90-L94 HydrophobicContact CE3-CG 4.46Å; W90-L94 HydrophobicContact CG-CD1 4.09Å; W90-L94 HydrophobicContact CG-CG 4.49Å; W90-L94 HydrophobicContact CH2-CD2 4Å; W90-L94 HydrophobicContact CH2-CG 4.2Å; W90-L94 HydrophobicContact CZ2-CD1 3.83Å; W90-L94 HydrophobicContact CZ2-CD2 3.62Å; W90-L94 HydrophobicContact CZ2-CG 3.72Å; W90-L94 WeakPolarHBondContact O-CB 3.22Å; W90-L94 WeakPolarHBondContact O-CG 3.37Å; W90-L94 PolarHBondContact O-N 3.27Å; A91-L94 PolarHBondContact O-N 2.88Å; L94-G96 PolarHBondContact O-N 3.27Å; L94-F97 PolarHBondContact O-N 3.48Å; L94-F97 VanDerWaalsContact O-N 3.09Å; L94-L98 WeakPolarHBondContact O-CB 3.24Å; L94-L98 VanDerWaalsContact O-CG 3.25Å; L94-L98 WeakPolarHBondContact O-CG 3.47Å; L94-L98 PolarHBondContact O-N 2.93Å; L94-V147 HydrophobicContact CD1-CB 4.41Å; L94-V147 HydrophobicContact CD1-CG1 3.79Å; L94-T148 HydrophobicContact CD2-CG2 4.45Å
95D87Confident83.3Confident12 Ų1243.8 Ų43.86%0.06425%0.25CS..Hα-helixtrans-59.7-40.2179-81.2-36.3000111.1A91 F97 L98 S99 R154 Y165A91-D95 WeakPolarHBondContact O-CB 3.21Å; A91-D95 PolarHBondContact O-N 2.81Å; D95-F97 PolarHBondContact O-N 3.31Å; D95-L98 PolarHBondContact O-N 2.97Å; D95-S99 WeakPolarHBondContact O-CB 3.08Å; D95-S99 PolarHBondContact O-N 3.4Å; D95-S99 PolarHBondContact O-OG 3.47Å; D95-R154 IonicContact OD1-CZ 3.56Å; D95-R154 IonicContact OD1-NE 3.61Å; D95-R154 IonicContact OD1-NH2 2.73Å; D95-R154 PolarHBondContact OD1-NH2 3.43Å; D95-R154 IonicContact OD2-CZ 3.89Å; D95-R154 IonicContact OD2-NH2 2.91Å; D95-R154 PolarHBondContact OD2-NH2 3.49Å; D95-Y165 PolarHBondContact OD1-OH 3.42Å
96G84.4Confident82.7Confident2 Ų241.5 Ų41.52%0.02123%0.23CC..Iπ-helixtrans-59.1-45.4173.100000113.5I92 L93 L94 Q100 F101 V106I92-G96 PolarHBondContact O-N 3.4Å; L93-G96 PolarHBondContact O-N 2.53Å; L94-G96 PolarHBondContact O-N 3.27Å; G96-Q100 CarbonylContact O-C 3.49Å; G96-Q100 WeakPolarHBondContact O-CA 3.28Å; G96-Q100 WeakPolarHBondContact O-CB 3.47Å; G96-Q100 PolarHBondContact O-N 3.45Å; G96-F101 PolarHBondContact O-N 3.4Å; G96-V106 VanDerWaalsContact CA-CG2 3.47Å
97F86Confident82.2Confident54 Ų5443 Ų4324%0.23724%0.24CC..Iπ-helixtrans-72.9-29.5179-63.6-34.1000113.9F31 L93 L94 D95 F101 V106F31-F97 HydrophobicContact CB-CE1 3.78Å; F31-F97 HydrophobicContact CB-CZ 4.04Å; F31-F97 AromaticContact CD1-CE1 3.98Å; F31-F97 HydrophobicContact CD1-CE1 3.98Å; F31-F97 HydrophobicContact CD1-CZ 4.49Å; F31-F97 HydrophobicContact CD2-CE1 4.28Å; F31-F97 AromaticContact CD2-CZ 4Å; F31-F97 HydrophobicContact CD2-CZ 4Å; F31-F97 AromaticContact CG-CE1 3.75Å; F31-F97 HydrophobicContact CG-CE1 3.75Å; F31-F97 AromaticContact CG-CZ 3.92Å; F31-F97 HydrophobicContact CG-CZ 3.92Å; L93-F97 HydrophobicContact CB-CD2 4.42Å; L93-F97 HydrophobicContact CB-CE2 4.04Å; L93-F97 HydrophobicContact CD2-CZ 4.41Å; L93-F97 WeakPolarHBondContact O-CB 3.33Å; L93-F97 WeakPolarHBondContact O-CD2 3.21Å; L93-F97 WeakPolarHBondContact O-CG 3.36Å; L93-F97 PolarHBondContact O-N 2.9Å; L94-F97 PolarHBondContact O-N 3.48Å; L94-F97 VanDerWaalsContact O-N 3.09Å; D95-F97 PolarHBondContact O-N 3.31Å; F97-F101 HydrophobicContact CB-CD2 4.42Å; F97-F101 AromaticContact CD1-CD2 3.68Å; F97-F101 HydrophobicContact CD1-CD2 3.68Å; F97-F101 AromaticContact CD1-CE2 3.74Å; F97-F101 HydrophobicContact CD1-CE2 3.74Å; F97-F101 HydrophobicContact CE1-CD2 4.45Å; F97-F101 HydrophobicContact CE1-CE2 4.14Å; F97-F101 HydrophobicContact CG-CD2 4.46Å; F97-F101 VanDerWaalsContact O-CB 3.32Å; F97-F101 WeakPolarHBondContact O-CB 3.39Å; F97-V106 HydrophobicContact CD1-CG2 4.25Å; F97-V106 HydrophobicContact CE1-CG2 4.35Å
98L83.3Confident81.8Confident45 Ų4543.8 Ų43.824%0.23624%0.244CC..Iπ-helixtrans-87-31.1-179.2-60.1175.3000112.4L94 D95 M155L94-L98 WeakPolarHBondContact O-CB 3.24Å; L94-L98 VanDerWaalsContact O-CG 3.25Å; L94-L98 WeakPolarHBondContact O-CG 3.47Å; L94-L98 PolarHBondContact O-N 2.93Å; D95-L98 PolarHBondContact O-N 2.97Å; L98-M155 HydrophobicContact CB-CE 3.77Å; L98-M155 HydrophobicContact CD1-CE 4.43Å; L98-M155 HydrophobicContact CD2-CE 3.29Å; L98-M155 HydrophobicContact CG-CE 3.96Å
99S74.4Confident81.3Confident44 Ų4444.3 Ų44.331%0.30825%0.247SC..Iπ-helixtrans-109.2-30.3-174.568.70000115.1D95D95-S99 WeakPolarHBondContact O-CB 3.08Å; D95-S99 PolarHBondContact O-N 3.4Å; D95-S99 PolarHBondContact O-OG 3.47Å
100Q66.6Low80.8Confident56 Ų5644 Ų4426%0.26225%0.247SC..Iπ-helixtrans-115.9-1-170.5-62.3178.69.500114.1G96 P102 S103G96-Q100 CarbonylContact O-C 3.49Å; G96-Q100 WeakPolarHBondContact O-CA 3.28Å; G96-Q100 WeakPolarHBondContact O-CB 3.47Å; G96-Q100 PolarHBondContact O-N 3.45Å; Q100-P102 VanDerWaalsContact C-N 3.29Å; Q100-P102 WeakPolarHBondContact O-CD 3.19Å; Q100-S103 PolarHBondContact O-N 2.88Å; Q100-S103 PolarHBondContact O-OG 3.33Å
101F62.2Low80.2Confident118 Ų11843.5 Ų43.552%0.51825%0.246SC..G310 helixtrans-54.8-27.3-172.3-153.5-110000117.2G96 F97 S103 G104G96-F101 PolarHBondContact O-N 3.4Å; F97-F101 HydrophobicContact CB-CD2 4.42Å; F97-F101 AromaticContact CD1-CD2 3.68Å; F97-F101 HydrophobicContact CD1-CD2 3.68Å; F97-F101 AromaticContact CD1-CE2 3.74Å; F97-F101 HydrophobicContact CD1-CE2 3.74Å; F97-F101 HydrophobicContact CE1-CD2 4.45Å; F97-F101 HydrophobicContact CE1-CE2 4.14Å; F97-F101 HydrophobicContact CG-CD2 4.46Å; F97-F101 VanDerWaalsContact O-CB 3.32Å; F97-F101 WeakPolarHBondContact O-CB 3.39Å; F101-S103 PolarHBondContact O-N 2.89Å; F101-G104 PolarHBondContact O-N 3Å
102P60.3Low79.9Confident132 Ų13244.4 Ų44.486%0.85725%0.252SS*.G310 helixtrans-57-22.9174.8-25.835.1000114.5Q100Q100-P102 VanDerWaalsContact C-N 3.29Å; Q100-P102 WeakPolarHBondContact O-CD 3.19Å
103S59.8Low79.7Confident81 Ų8146.8 Ų46.857%0.56626%0.264SS*.G310 helixtrans-82.6-9.2177.769.20000114.2Q100 F101 K105Q100-S103 PolarHBondContact O-N 2.88Å; Q100-S103 PolarHBondContact O-OG 3.33Å; F101-S103 PolarHBondContact O-N 2.89Å; S103-K105 PolarHBondContact O-N 3.46Å; S103-K105 VanDerWaalsContact O-N 3.15Å; S103-K105 PolarHBondContact OG-N 3.44Å; S103-K105 PolarHBondContact OG-O 3.43Å
104G67.2Low79.5Confident45 Ų4547.9 Ų47.946%0.46427%0.269SS..SBendtrans72.7-8.2-176.400000115.6F101F101-G104 PolarHBondContact O-N 3Å
105K74.7Confident79.5Confident110 Ų11047.3 Ų47.348%0.47827%0.266SS..SBendtrans-145.1139.1175.3-68.6-168.7177.5-173.70112.5F31 S103F31-K105 CarbonylContact O-C 3.56Å; F31-K105 WeakPolarHBondContact O-CA 3.17Å; S103-K105 PolarHBondContact O-N 3.46Å; S103-K105 VanDerWaalsContact O-N 3.15Å; S103-K105 PolarHBondContact OG-N 3.44Å; S103-K105 PolarHBondContact OG-O 3.43Å
106V82.5Confident79.7Confident6 Ų646.8 Ų46.84%0.03626%0.263CS..EExtended strand (participates in β ladder)trans-79.2126.1175.1-177.50000109.8F31 T32 H33 G96 F97F31-V106 PolarHBondContact O-N 3.48Å; T32-V106 WeakPolarHBondContact CA-O 3.34Å; T32-V106 HydrophobicContact CG2-CB 4.17Å; H33-V106 PolarHBondContact N-O 3.45Å; H33-V106 PolarHBondContact ND1-O 3.24Å; H33-V106 VanDerWaalsContact ND1-O 3.17Å; G96-V106 VanDerWaalsContact CA-CG2 3.47Å; F97-V106 HydrophobicContact CD1-CG2 4.25Å; F97-V106 HydrophobicContact CE1-CG2 4.35Å
107V85.3Confident80.1Confident39 Ų3947 Ų4724%0.23626%0.264CS..EExtended strand (participates in β ladder)trans-89.8120.7175.2-174.70000109.1H33 D35 T109 S112H33-V107 WeakPolarHBondContact CE1-CG2 3.5Å; D35-V107 HydrophobicContact CB-CG1 3.71Å; V107-T109 HydrophobicContact CG1-CG2 4.09Å; V107-S112 PolarHBondContact O-OG 3Å
108I86Confident80.3Confident17 Ų1744.7 Ų44.79%0.08725%0.254CS..EExtended strand (participates in β ladder)trans-88.3114.3176-58.6178.6000109.1F28 T32 H33 Y34 D35 I92 I113F28-I108 HydrophobicContact CD1-CD1 4.07Å; F28-I108 HydrophobicContact CE1-CD1 3.89Å; T32-I108 HydrophobicContact CG2-CD1 4.23Å; H33-I108 PolarHBondContact O-N 2.87Å; Y34-I108 HydrophobicContact CD1-CB 4.11Å; Y34-I108 HydrophobicContact CD1-CG2 4.24Å; Y34-I108 HydrophobicContact CE1-CB 4.4Å; Y34-I108 HydrophobicContact CE1-CD1 4.39Å; Y34-I108 HydrophobicContact CE1-CG2 4.22Å; D35-I108 PolarHBondContact N-O 2.84Å; I92-I108 HydrophobicContact CG2-CG1 4.29Å; I108-I113 HydrophobicContact CG2-CD1 4.43Å; I108-I113 HydrophobicContact CG2-CG1 4.39Å
109T86.1Confident80.8Confident36 Ų3642.5 Ų42.522%0.22124%0.243CC..  trans-117165.4172.570.10000110.6D35 V107 F111 S112 I113D35-T109 HydrophobicContact CB-CG2 4.2Å; V107-T109 HydrophobicContact CG1-CG2 4.09Å; T109-F111 PolarHBondContact O-N 3.43Å; T109-F111 PolarHBondContact OG1-N 3.18Å; T109-S112 PolarHBondContact N-OG 3.06Å; T109-S112 WeakPolarHBondContact O-CB 3.49Å; T109-S112 PolarHBondContact O-N 3.34Å; T109-S112 VanDerWaalsContact O-N 3.13Å; T109-S112 PolarHBondContact OG1-N 3.32Å; T109-S112 PolarHBondContact OG1-OG 2.87Å; T109-I113 PolarHBondContact O-N 3.47Å; T109-I113 VanDerWaalsContact O-N 3.14Å
110L84.7Confident81.8Confident45 Ų4540.4 Ų40.424%0.23623%0.228CC..Hα-helixtrans-61.4-28.2171.2-74.6174.5000112.8L44 R114L44-L110 HydrophobicContact CD1-CD1 3.43Å; L44-L110 VanDerWaalsContact CD1-CD1 3.43Å; L44-L110 HydrophobicContact CG-CD1 4.34Å; L110-R114 WeakPolarHBondContact O-CG 3.25Å; L110-R114 PolarHBondContact O-N 3.2Å; L110-R114 PolarHBondContact O-NE 2.98Å; L110-R114 VanDerWaalsContact O-NE 3.11Å
111F84.5Confident83Confident40 Ų4037.8 Ų37.818%0.17522%0.216CC..Hα-helixtrans-70.1-42.6173.6-173.7-95000111.4T109 I113 R114 L115 H166 L227T109-F111 PolarHBondContact O-N 3.43Å; T109-F111 PolarHBondContact OG1-N 3.18Å; F111-I113 VanDerWaalsContact C-N 3.28Å; F111-I113 PolarHBondContact O-N 3.41Å; F111-R114 PolarHBondContact O-N 2.91Å; F111-R114 VanDerWaalsContact O-N 3.14Å; F111-L115 PolarHBondContact O-N 3.38Å; F111-H166 HydrophobicContact CE1-CB 3.7Å; F111-H166 AromaticContact CE1-CG 3.54Å; F111-H166 AromaticContact CE1-ND1 3.58Å; F111-H166 HydrophobicContact CZ-CB 3.75Å; F111-L227 HydrophobicContact CE2-CD2 4.09Å; F111-L227 HydrophobicContact CZ-CD2 4.07Å
112S87Confident84.5Confident20 Ų2032.2 Ų32.214%0.1419%0.191CC..Hα-helixtrans-57.2-41.9175.1-49.40000111.5V107 T109 L115 A116V107-S112 PolarHBondContact O-OG 3Å; T109-S112 PolarHBondContact N-OG 3.06Å; T109-S112 WeakPolarHBondContact O-CB 3.49Å; T109-S112 PolarHBondContact O-N 3.34Å; T109-S112 VanDerWaalsContact O-N 3.13Å; T109-S112 PolarHBondContact OG1-N 3.32Å; T109-S112 PolarHBondContact OG1-OG 2.87Å; S112-L115 PolarHBondContact O-N 2.91Å; S112-A116 VanDerWaalsContact O-CB 3.27Å; S112-A116 WeakPolarHBondContact O-CB 3.48Å; S112-A116 PolarHBondContact O-N 3.47Å
113I88.6Confident86.1Confident66 Ų6626 Ų2634%0.33815%0.151SC..Hα-helixtrans-63.8-46.3176.1-64171.8000111I92 I108 T109 F111 L115 A116 T117I92-I113 HydrophobicContact CD1-CG1 4.29Å; I108-I113 HydrophobicContact CG2-CD1 4.43Å; I108-I113 HydrophobicContact CG2-CG1 4.39Å; T109-I113 PolarHBondContact O-N 3.47Å; T109-I113 VanDerWaalsContact O-N 3.14Å; F111-I113 VanDerWaalsContact C-N 3.28Å; F111-I113 PolarHBondContact O-N 3.41Å; I113-L115 PolarHBondContact O-N 3.09Å; I113-A116 PolarHBondContact O-N 3.38Å; I113-T117 WeakPolarHBondContact O-CB 3.38Å; I113-T117 PolarHBondContact O-N 3.24Å; I113-T117 PolarHBondContact O-OG1 3.02Å
114R88.9Confident87.6Confident23 Ų2322.2 Ų22.29%0.08712%0.124CC..Hα-helixtrans-58.7-46.1177.7-77176.6-79.7177.5-9.8112S47 L54 L110 F111 T117 M118S47-R114 PolarHBondContact OG-NH2 3.5Å; L54-R114 HydrophobicContact CD1-CB 4.22Å; L54-R114 HydrophobicContact CD1-CG 4.19Å; L110-R114 WeakPolarHBondContact O-CG 3.25Å; L110-R114 PolarHBondContact O-N 3.2Å; L110-R114 PolarHBondContact O-NE 2.98Å; L110-R114 VanDerWaalsContact O-NE 3.11Å; F111-R114 PolarHBondContact O-N 2.91Å; F111-R114 VanDerWaalsContact O-N 3.14Å; R114-T117 PolarHBondContact O-N 3Å; R114-M118 VanDerWaalsContact O-CG 3.32Å; R114-M118 WeakPolarHBondContact O-CG 3.21Å; R114-M118 PolarHBondContact O-N 2.96Å
115L89.1Confident88.7Confident3 Ų320.3 Ų20.32%0.01610%0.103CC..Hα-helixtrans-63.9-40.8177.9-174.867.5000112.3F111 S112 I113 M118 S119 H166 M169 L227F111-L115 PolarHBondContact O-N 3.38Å; S112-L115 PolarHBondContact O-N 2.91Å; I113-L115 PolarHBondContact O-N 3.09Å; L115-M118 WeakPolarHBondContact O-CB 3.5Å; L115-M118 PolarHBondContact O-N 3.02Å; L115-S119 PolarHBondContact O-N 2.93Å; L115-S119 PolarHBondContact O-OG 3.1Å; L115-H166 VanDerWaalsContact CD2-ND1 3.27Å; L115-H166 WeakPolarHBondContact CD2-ND1 3.23Å; L115-M169 HydrophobicContact CD1-CE 4.14Å; L115-M169 HydrophobicContact CD1-CG 3.94Å; L115-L227 HydrophobicContact CB-CD2 4.46Å; L115-L227 HydrophobicContact CD1-CD1 4.07Å; L115-L227 HydrophobicContact CD1-CD2 4.11Å
116A92.1Very high89.6Confident0 Ų015.1 Ų15.10%08%0.081CC..Hα-helixtrans-65.1-43.417600000112.1V88 A91 I92 S112 I113 M118 S119 A120V88-A116 HydrophobicContact CG1-CB 4.25Å; A91-A116 HydrophobicContact CB-CB 3.75Å; I92-A116 HydrophobicContact CD1-CB 4.3Å; I92-A116 HydrophobicContact CG1-CB 3.44Å; I92-A116 VanDerWaalsContact CG1-CB 3.44Å; S112-A116 VanDerWaalsContact O-CB 3.27Å; S112-A116 WeakPolarHBondContact O-CB 3.48Å; S112-A116 PolarHBondContact O-N 3.47Å; I113-A116 PolarHBondContact O-N 3.38Å; A116-M118 VanDerWaalsContact C-N 3.31Å; A116-M118 PolarHBondContact O-N 2.94Å; A116-S119 WeakPolarHBondContact O-CB 3.22Å; A116-S119 PolarHBondContact O-N 3.39Å; A116-S119 VanDerWaalsContact O-N 3.13Å; A116-A120 PolarHBondContact O-N 3.15Å
117T92.8Very high89.9Confident7 Ų715 Ų154%0.0438%0.08CC..Hα-helixtrans-60.4-40.4174.2-58.40000111.8L54 L84 I113 R114 A120 L121L54-T117 HydrophobicContact CB-CG2 3.88Å; L84-T117 HydrophobicContact CD1-CG2 4.45Å; I113-T117 WeakPolarHBondContact O-CB 3.38Å; I113-T117 PolarHBondContact O-N 3.24Å; I113-T117 PolarHBondContact O-OG1 3.02Å; R114-T117 PolarHBondContact O-N 3Å; T117-A120 PolarHBondContact O-N 3.28Å; T117-L121 HydrophobicContact CG2-CD1 4.09Å; T117-L121 WeakPolarHBondContact O-CB 3.42Å; T117-L121 WeakPolarHBondContact O-CG 3.46Å; T117-L121 PolarHBondContact O-N 3.31Å
118M91.1Very high89.8Confident5 Ų513.6 Ų13.63%0.0257%0.071CC..Hα-helixtrans-61.6-42.9173.1-70.7-69.4-162.500112.1L54 R114 L115 A116 A120 L121 S122 M169 I172 F223 A226 L227L54-M118 HydrophobicContact CD1-CE 3.99Å; L54-M118 HydrophobicContact CD1-CG 4.29Å; L54-M118 HydrophobicContact CD1-SD 4.45Å; L54-M118 HydrophobicContact CD2-CE 3.35Å; L54-M118 HydrophobicContact CD2-SD 3.95Å; L54-M118 HydrophobicContact CG-CE 4.32Å; R114-M118 VanDerWaalsContact O-CG 3.32Å; R114-M118 WeakPolarHBondContact O-CG 3.21Å; R114-M118 PolarHBondContact O-N 2.96Å; L115-M118 WeakPolarHBondContact O-CB 3.5Å; L115-M118 PolarHBondContact O-N 3.02Å; A116-M118 VanDerWaalsContact C-N 3.31Å; A116-M118 PolarHBondContact O-N 2.94Å; M118-A120 VanDerWaalsContact C-N 3.33Å; M118-A120 PolarHBondContact O-N 3.13Å; M118-L121 WeakPolarHBondContact O-CB 3.2Å; M118-L121 PolarHBondContact O-N 3.47Å; M118-L121 HydrophobicContact SD-CD1 4.29Å; M118-S122 PolarHBondContact O-N 2.76Å; M118-S122 VanDerWaalsContact O-N 3.13Å; M118-M169 HydrophobicContact CB-CE 3.55Å; M118-I172 VanDerWaalsContact O-CD1 3.29Å; M118-I172 WeakPolarHBondContact O-CD1 3.24Å; M118-F223 HydrophobicContact CE-CB 4.43Å; M118-F223 HydrophobicContact CE-CD1 4.34Å; M118-F223 HydrophobicContact CE-CD2 3.52Å; M118-F223 HydrophobicContact CE-CE2 3.83Å; M118-F223 HydrophobicContact CE-CG 3.85Å; M118-F223 HydrophobicContact CE-CZ 4.31Å; M118-F223 WeakPolarHBondContact CE-O 3.47Å; M118-F223 HydrophobicContact SD-CD2 3.36Å; M118-F223 WeakPolarHBondContact SD-CD2 3.37Å; M118-F223 HydrophobicContact SD-CE1 4.31Å; M118-F223 HydrophobicContact SD-CE2 3.05Å; M118-F223 WeakPolarHBondContact SD-CE2 3.21Å; M118-F223 HydrophobicContact SD-CG 4.19Å; M118-F223 HydrophobicContact SD-CZ 3.58Å; M118-F223 VanDerWaalsContact SD-CZ 3.58Å; M118-A226 HydrophobicContact CE-CB 3.52Å; M118-L227 HydrophobicContact CG-CD1 4.23Å; M118-L227 HydrophobicContact CG-CG 4.49Å
119S93.2Very high89.7Confident0 Ų012.9 Ų12.90%07%0.068CC..Hα-helixtrans-63.2-39.9176.4-54.10000111.9L115 A116 S122 R154 M169L115-S119 PolarHBondContact O-N 2.93Å; L115-S119 PolarHBondContact O-OG 3.1Å; A116-S119 WeakPolarHBondContact O-CB 3.22Å; A116-S119 PolarHBondContact O-N 3.39Å; A116-S119 VanDerWaalsContact O-N 3.13Å; S119-S122 WeakPolarHBondContact O-CB 3.46Å; S119-S122 PolarHBondContact O-N 2.6Å; S119-S122 PolarHBondContact O-OG 2.92Å; S119-R154 PolarHBondContact OG-NH1 2.97Å; S119-R154 PolarHBondContact OG-NH2 2.86Å; S119-R154 VanDerWaalsContact OG-NH2 3.15Å; S119-M169 WeakPolarHBondContact OG-CE 3.41Å
120A94.7Very high89.6Confident0 Ų011.1 Ų11.10%06%0.057CC..Hα-helixtrans-67.3-37.3174.700000112.2L84 V88 A116 T117 M118 S122 V123 L124L84-A120 HydrophobicContact CD1-CB 3.9Å; V88-A120 HydrophobicContact CG2-CB 3.93Å; A116-A120 PolarHBondContact O-N 3.15Å; T117-A120 PolarHBondContact O-N 3.28Å; M118-A120 VanDerWaalsContact C-N 3.33Å; M118-A120 PolarHBondContact O-N 3.13Å; A120-S122 VanDerWaalsContact C-N 3.27Å; A120-S122 PolarHBondContact O-N 3.23Å; A120-V123 WeakPolarHBondContact O-CB 3.05Å; A120-V123 PolarHBondContact O-N 3.42Å; A120-V123 VanDerWaalsContact O-N 3.12Å; A120-L124 PolarHBondContact O-N 2.93Å
121L92.4Very high89.2Confident1 Ų19.7 Ų9.71%0.0055%0.049CC..Hα-helixtrans-59.7-34.3174.4-86.4159.3000112.3L54 M57 A58 L62 T117 M118 V123 L124 I125 F223L54-L121 HydrophobicContact CB-CD1 4.47Å; L54-L121 HydrophobicContact CD2-CD1 4.44Å; M57-L121 HydrophobicContact CE-CD1 4.28Å; M57-L121 HydrophobicContact CE-CD2 4.06Å; A58-L121 HydrophobicContact CB-CD1 4.32Å; A58-L121 HydrophobicContact CB-CD2 3.44Å; A58-L121 VanDerWaalsContact CB-CD2 3.44Å; A58-L121 HydrophobicContact CB-CG 3.83Å; L62-L121 HydrophobicContact CD1-CD2 3.53Å; L62-L121 HydrophobicContact CG-CD2 4.46Å; T117-L121 HydrophobicContact CG2-CD1 4.09Å; T117-L121 WeakPolarHBondContact O-CB 3.42Å; T117-L121 WeakPolarHBondContact O-CG 3.46Å; T117-L121 PolarHBondContact O-N 3.31Å; M118-L121 WeakPolarHBondContact O-CB 3.2Å; M118-L121 PolarHBondContact O-N 3.47Å; M118-L121 HydrophobicContact SD-CD1 4.29Å; L121-V123 VanDerWaalsContact C-N 3.28Å; L121-V123 PolarHBondContact O-N 3.36Å; L121-L124 HydrophobicContact CD2-CD1 4.35Å; L121-L124 PolarHBondContact O-N 3.17Å; L121-I125 WeakPolarHBondContact O-CG1 3.1Å; L121-I125 PolarHBondContact O-N 2.9Å; L121-I125 VanDerWaalsContact O-N 3.09Å; L121-F223 HydrophobicContact CB-CE2 4.27Å; L121-F223 HydrophobicContact CD1-CD2 3.97Å; L121-F223 HydrophobicContact CD1-CE2 3.69Å; L121-F223 HydrophobicContact CG-CE2 4.45Å
122S92.8Very high88.8Confident0 Ų08 Ų80%04%0.043CC..Hα-helixtrans-57.5-44.6173.892.20000111M118 S119 A120 L124 I125 S126 E146 A176M118-S122 PolarHBondContact O-N 2.76Å; M118-S122 VanDerWaalsContact O-N 3.13Å; S119-S122 WeakPolarHBondContact O-CB 3.46Å; S119-S122 PolarHBondContact O-N 2.6Å; S119-S122 PolarHBondContact O-OG 2.92Å; A120-S122 VanDerWaalsContact C-N 3.27Å; A120-S122 PolarHBondContact O-N 3.23Å; S122-L124 VanDerWaalsContact C-N 3.29Å; S122-L124 PolarHBondContact O-N 3.18Å; S122-I125 WeakPolarHBondContact O-CB 3.4Å; S122-I125 PolarHBondContact O-N 3.31Å; S122-I125 VanDerWaalsContact O-N 3.13Å; S122-S126 PolarHBondContact O-N 2.95Å; S122-S126 PolarHBondContact O-OG 3.38Å; S122-E146 VanDerWaalsContact C-OE1 3.23Å; S122-E146 PolarHBondContact OG-OE1 3.5Å; S122-E146 VanDerWaalsContact OG-OE1 3.08Å; S122-A176 WeakPolarHBondContact O-CB 3.43Å
123V94.3Very high88.4Confident2 Ų27.2 Ų7.21%0.0124%0.038CC..Hα-helixtrans-62.4-40.9179.1-172.40000111.2A120 L121 I125 S126 V127 V143 E146 V147A120-V123 WeakPolarHBondContact O-CB 3.05Å; A120-V123 PolarHBondContact O-N 3.42Å; A120-V123 VanDerWaalsContact O-N 3.12Å; L121-V123 VanDerWaalsContact C-N 3.28Å; L121-V123 PolarHBondContact O-N 3.36Å; V123-I125 VanDerWaalsContact C-N 3.29Å; V123-I125 PolarHBondContact O-N 2.94Å; V123-S126 WeakPolarHBondContact O-CB 3.4Å; V123-S126 PolarHBondContact O-N 3.14Å; V123-V127 HydrophobicContact CG1-CG2 4.15Å; V123-V127 WeakPolarHBondContact O-CB 3.28Å; V123-V127 WeakPolarHBondContact O-CG2 3.36Å; V123-V127 PolarHBondContact O-N 2.85Å; V123-V143 HydrophobicContact CG1-CB 4.36Å; V123-V143 HydrophobicContact CG1-CG2 3.73Å; V123-E146 WeakPolarHBondContact CA-OE1 3.48Å; V123-E146 WeakPolarHBondContact CA-OE2 3.42Å; V123-E146 HydrophobicContact CG2-CB 4.1Å; V123-E146 HydrophobicContact CG2-CG 4.19Å; V123-E146 PolarHBondContact N-OE1 3.3Å; V123-V147 HydrophobicContact CG2-CG2 3.58Å
124L92.2Very high88.2Confident1 Ų14.3 Ų4.31%0.0052%0.023CC..Hα-helixtrans-62.1-39.2177.9-58.6-175.5000111.3A58 L62 M83 L84 A120 L121 S122 V127A58-L124 HydrophobicContact CB-CD1 3.94Å; L62-L124 HydrophobicContact CB-CB 4.37Å; L62-L124 HydrophobicContact CB-CD1 4.45Å; L62-L124 HydrophobicContact CD1-CB 3.41Å; L62-L124 VanDerWaalsContact CD1-CB 3.41Å; L62-L124 HydrophobicContact CD1-CD1 4.01Å; L62-L124 HydrophobicContact CD1-CG 4.35Å; M83-L124 HydrophobicContact CB-CD2 3.89Å; M83-L124 HydrophobicContact CE-CD2 3.78Å; L84-L124 HydrophobicContact CB-CD1 4.36Å; L84-L124 HydrophobicContact CD1-CD1 4.39Å; A120-L124 PolarHBondContact O-N 2.93Å; L121-L124 HydrophobicContact CD2-CD1 4.35Å; L121-L124 PolarHBondContact O-N 3.17Å; S122-L124 VanDerWaalsContact C-N 3.29Å; S122-L124 PolarHBondContact O-N 3.18Å; L124-V127 PolarHBondContact O-N 3.01Å
125I90.3Very high88.1Confident6 Ų63.7 Ų3.73%0.0312%0.021CC..Hα-helixtrans-65.2-43.8173.5-63.3165.7000110.8L62 L121 S122 V123 V127 D128 Y173 A176 F332L62-I125 HydrophobicContact CD1-CG1 4.28Å; L121-I125 WeakPolarHBondContact O-CG1 3.1Å; L121-I125 PolarHBondContact O-N 2.9Å; L121-I125 VanDerWaalsContact O-N 3.09Å; S122-I125 WeakPolarHBondContact O-CB 3.4Å; S122-I125 PolarHBondContact O-N 3.31Å; S122-I125 VanDerWaalsContact O-N 3.13Å; V123-I125 VanDerWaalsContact C-N 3.29Å; V123-I125 PolarHBondContact O-N 2.94Å; I125-V127 VanDerWaalsContact C-N 3.3Å; I125-V127 PolarHBondContact O-N 3.06Å; I125-D128 WeakPolarHBondContact O-CB 3.43Å; I125-D128 PolarHBondContact O-N 3.2Å; I125-Y173 HydrophobicContact CD1-CD1 3.97Å; I125-Y173 HydrophobicContact CD1-CE1 4.05Å; I125-A176 HydrophobicContact CB-CB 4Å; I125-A176 HydrophobicContact CG2-CB 3.93Å; I125-F332 HydrophobicContact CG2-CD1 3.91Å; I125-F332 HydrophobicContact CG2-CE1 4.49Å
126S92.3Very high87.9Confident0 Ų04.5 Ų4.50%03%0.026CC..Hα-helixtrans-62.9-36.6178.5-63.80000112.7S122 V123 D128 A129 M142 E146 A176 G180S122-S126 PolarHBondContact O-N 2.95Å; S122-S126 PolarHBondContact O-OG 3.38Å; V123-S126 WeakPolarHBondContact O-CB 3.4Å; V123-S126 PolarHBondContact O-N 3.14Å; S126-D128 PolarHBondContact O-N 3.48Å; S126-A129 WeakPolarHBondContact O-CB 3.44Å; S126-A129 PolarHBondContact O-N 3.2Å; S126-M142 VanDerWaalsContact CB-CE 3.43Å; S126-E146 WeakPolarHBondContact CB-OE1 3.46Å; S126-E146 WeakPolarHBondContact CB-OE2 3.38Å; S126-E146 PolarHBondContact OG-OE1 3.08Å; S126-E146 PolarHBondContact OG-OE2 2.61Å; S126-A176 VanDerWaalsContact OG-C 3.31Å; S126-A176 WeakPolarHBondContact OG-CA 3.19Å; S126-A176 WeakPolarHBondContact OG-CB 3.22Å; S126-A176 PolarHBondContact OG-O 3.33Å; S126-G180 WeakPolarHBondContact O-CA 3.31Å
127V89.7Confident87.7Confident4 Ų46.1 Ų6.12%0.0244%0.039CC..Hα-helixtrans-66.5-26.6-178.9170.40000112.2M83 V123 L124 I125 A129 V130 L131 L139 M142M83-V127 HydrophobicContact CE-CB 4.25Å; M83-V127 HydrophobicContact CE-CG1 3.93Å; M83-V127 HydrophobicContact CE-CG2 4.06Å; M83-V127 HydrophobicContact SD-CB 4.48Å; M83-V127 HydrophobicContact SD-CG1 4.36Å; M83-V127 HydrophobicContact SD-CG2 3.67Å; V123-V127 HydrophobicContact CG1-CG2 4.15Å; V123-V127 WeakPolarHBondContact O-CB 3.28Å; V123-V127 WeakPolarHBondContact O-CG2 3.36Å; V123-V127 PolarHBondContact O-N 2.85Å; L124-V127 PolarHBondContact O-N 3.01Å; I125-V127 VanDerWaalsContact C-N 3.3Å; I125-V127 PolarHBondContact O-N 3.06Å; V127-A129 PolarHBondContact O-N 3.48Å; V127-V130 HydrophobicContact CB-CG2 4.48Å; V127-V130 HydrophobicContact CG1-CG2 4.35Å; V127-V130 CarbonylContact O-C 3.3Å; V127-V130 WeakPolarHBondContact O-CG2 3.37Å; V127-V130 PolarHBondContact O-N 2.91Å; V127-L131 HydrophobicContact CG1-CD1 4.26Å; V127-L131 PolarHBondContact O-N 2.91Å; V127-L139 HydrophobicContact CB-CD2 4.48Å; V127-L139 HydrophobicContact CG1-CD2 3.82Å; V127-L139 HydrophobicContact CG2-CD2 3.76Å; V127-M142 HydrophobicContact CG2-CE 3.81Å; V127-M142 HydrophobicContact CG2-SD 3.82Å
128D83.3Confident87.6Confident10 Ų105.9 Ų5.95%0.0534%0.037CC..THydrogen-bonded Turntrans-53.4-32.2174.4-66.6-8.9000111.8T66 I125 S126T66-D128 WeakPolarHBondContact CG2-OD1 3.45Å; I125-D128 WeakPolarHBondContact O-CB 3.43Å; I125-D128 PolarHBondContact O-N 3.2Å; S126-D128 PolarHBondContact O-N 3.48Å
129A84.2Confident87.7Confident1 Ų15.9 Ų5.91%0.0084%0.037CC..THydrogen-bonded Turntrans-72.6-27.5178.500000113.9S126 V127 G180 A184 S326S126-A129 WeakPolarHBondContact O-CB 3.44Å; S126-A129 PolarHBondContact O-N 3.2Å; V127-A129 PolarHBondContact O-N 3.48Å; A129-G180 VanDerWaalsContact CB-C 3.48Å; A129-G180 WeakPolarHBondContact CB-O 3.47Å; A129-A184 HydrophobicContact CB-CB 4.15Å; A129-S326 PolarHBondContact O-OG 3.32Å
130V83.6Confident87.6Confident0 Ų07.1 Ų7.10%05%0.045CC..THydrogen-bonded Turntrans-113.2-2.1-172.8-61.90000113.8V127 G132 K133 V134 M142 V183 A184 L187V127-V130 HydrophobicContact CB-CG2 4.48Å; V127-V130 HydrophobicContact CG1-CG2 4.35Å; V127-V130 CarbonylContact O-C 3.3Å; V127-V130 WeakPolarHBondContact O-CG2 3.37Å; V127-V130 PolarHBondContact O-N 2.91Å; V130-G132 PolarHBondContact O-N 2.85Å; V130-K133 PolarHBondContact O-N 3.39Å; V130-V134 HydrophobicContact CB-CG1 4.16Å; V130-V134 HydrophobicContact CB-CG2 4.32Å; V130-V134 HydrophobicContact CG2-CG1 4.44Å; V130-V134 HydrophobicContact CG2-CG2 3.96Å; V130-M142 HydrophobicContact CG2-CE 4.24Å; V130-M142 HydrophobicContact CG2-SD 3.89Å; V130-V183 HydrophobicContact CG1-CB 4.08Å; V130-V183 HydrophobicContact CG1-CG1 3.76Å; V130-A184 HydrophobicContact CG1-CB 3.8Å; V130-L187 HydrophobicContact CB-CD1 4.05Å; V130-L187 HydrophobicContact CG1-CD1 3.82Å
131L77.1Confident87.5Confident14 Ų148 Ų87%0.0735%0.05CC..THydrogen-bonded Turntrans-49.6137.7-177.2-166.474.6000112T66 F69 V127 K133 F402T66-L131 HydrophobicContact CG2-CD2 4.11Å; T66-L131 WeakPolarHBondContact O-CD2 3.43Å; F69-L131 HydrophobicContact CD2-CD2 3.98Å; F69-L131 HydrophobicContact CE2-CD2 3.98Å; V127-L131 HydrophobicContact CG1-CD1 4.26Å; V127-L131 PolarHBondContact O-N 2.91Å; L131-K133 PolarHBondContact O-N 3.12Å; L131-F402 WeakPolarHBondContact O-CE1 3.34Å
132G74.4Confident87.7Confident5 Ų58 Ų85%0.0525%0.05CC..THydrogen-bonded Turntrans78.1-8.6178.100000116V130 Y401 F402V130-G132 PolarHBondContact O-N 2.85Å; G132-Y401 WeakPolarHBondContact O-CA 3.43Å; G132-F402 PolarHBondContact O-N 2.93Å
133K78.8Confident87.8Confident4 Ų48 Ų82%0.0175%0.05CC..THydrogen-bonded Turntrans-105.7-19.9177.2-54.7-177.8-165.9140.20113.7V130 L131 P323 S325 P396 Y401 F402V130-K133 PolarHBondContact O-N 3.39Å; L131-K133 PolarHBondContact O-N 3.12Å; K133-P323 VanDerWaalsContact NZ-CB 3.32Å; K133-P323 VanDerWaalsContact NZ-CG 3.31Å; K133-S325 WeakPolarHBondContact CE-OG 3.4Å; K133-S325 PolarHBondContact NZ-OG 2.92Å; K133-P396 VanDerWaalsContact O-CG 3.28Å; K133-P396 WeakPolarHBondContact O-CG 3.41Å; K133-Y401 HydrophobicContact CB-CD1 4.46Å; K133-Y401 HydrophobicContact CB-CD2 4.38Å; K133-Y401 HydrophobicContact CB-CE1 4.24Å; K133-Y401 HydrophobicContact CB-CE2 4.17Å; K133-Y401 HydrophobicContact CD-CD2 4.38Å; K133-Y401 HydrophobicContact CD-CE2 4.15Å; K133-Y401 HydrophobicContact CG-CD2 3.81Å; K133-Y401 HydrophobicContact CG-CE2 3.89Å; K133-Y401 HydrophobicContact CG-CG 4.19Å; K133-F402 HydrophobicContact CG-CZ 4.33Å
134V84.4Confident87.9Confident4 Ų49.9 Ų9.92%0.0246%0.06CC..SBendtrans-110145.5-175.8-650000110.8V130 Q138 L139 L187V130-V134 HydrophobicContact CB-CG1 4.16Å; V130-V134 HydrophobicContact CB-CG2 4.32Å; V130-V134 HydrophobicContact CG2-CG1 4.44Å; V130-V134 HydrophobicContact CG2-CG2 3.96Å; V134-Q138 VanDerWaalsContact CA-OE1 3.28Å; V134-Q138 HydrophobicContact CB-CB 4.06Å; V134-Q138 HydrophobicContact CG1-CB 4.44Å; V134-L139 HydrophobicContact CB-CD2 4.5Å; V134-L139 HydrophobicContact CG2-CD1 4.44Å; V134-L139 HydrophobicContact CG2-CD2 3.44Å; V134-L139 VanDerWaalsContact CG2-CD2 3.44Å; V134-L139 HydrophobicContact CG2-CG 3.83Å; V134-L187 HydrophobicContact CG1-CD1 3.57Å
135N86.5Confident88.1Confident11 Ų1111.9 Ų11.96%0.0597%0.072CC..  trans-90170.3172.268.431.3000111.6A137 Q138 L139 W393 K394 F407N135-A137 VanDerWaalsContact C-N 3.26Å; N135-A137 PolarHBondContact O-N 2.93Å; N135-A137 WeakPolarHBondContact OD1-CB 3.19Å; N135-A137 PolarHBondContact OD1-N 3.38Å; N135-A137 VanDerWaalsContact OD1-N 3.11Å; N135-Q138 WeakPolarHBondContact O-CB 3.32Å; N135-Q138 PolarHBondContact O-N 3.43Å; N135-Q138 VanDerWaalsContact O-N 3.12Å; N135-Q138 WeakPolarHBondContact OD1-CG 3.13Å; N135-Q138 PolarHBondContact OD1-N 2.92Å; N135-L139 WeakPolarHBondContact O-CG 3.38Å; N135-L139 PolarHBondContact O-N 3.49Å; N135-W393 PolarHBondContact ND2-O 2.61Å; N135-K394 PolarHBondContact ND2-O 3.35Å; N135-F407 HydrophobicContact CB-CE1 3.73Å; N135-F407 HydrophobicContact CB-CZ 3.63Å
136L86.6Confident88.4Confident20 Ų2011.6 Ų11.611%0.1057%0.07CC..Hα-helixtrans-60.4-30.4-178.4-176.759.8000113.9L13 F79 F82 L139 V140L13-L136 HydrophobicContact CD1-CB 3.89Å; L13-L136 HydrophobicContact CD1-CD2 3.97Å; L13-L136 HydrophobicContact CD1-CG 4.16Å; L13-L136 HydrophobicContact CD2-CD2 4.17Å; L13-L136 HydrophobicContact CG-CD2 4.44Å; F79-L136 HydrophobicContact CB-CD1 4.18Å; F79-L136 HydrophobicContact CD1-CB 4.24Å; F79-L136 HydrophobicContact CD1-CD1 3.79Å; F79-L136 HydrophobicContact CD1-CD2 4.04Å; F79-L136 HydrophobicContact CD1-CG 4.26Å; F79-L136 HydrophobicContact CE1-CB 3.98Å; F79-L136 HydrophobicContact CE1-CD1 4.35Å; F79-L136 HydrophobicContact CE1-CD2 3.94Å; F79-L136 HydrophobicContact CE1-CG 4.33Å; F79-L136 HydrophobicContact CE2-CB 4.28Å; F79-L136 HydrophobicContact CG-CD1 3.96Å; F79-L136 HydrophobicContact CZ-CB 4.01Å; F82-L136 HydrophobicContact CB-CD1 4.41Å; F82-L136 HydrophobicContact CD1-CD1 3.61Å; F82-L136 HydrophobicContact CD1-CG 4.46Å; F82-L136 HydrophobicContact CE1-CD1 4.1Å; F82-L136 HydrophobicContact CG-CD1 4.05Å; L136-L139 PolarHBondContact O-N 2.97Å; L136-V140 WeakPolarHBondContact O-CG2 3.27Å; L136-V140 PolarHBondContact O-N 3.47Å
137A87.3Confident88.5Confident34 Ų3411.6 Ų11.628%0.2817%0.071SC..Hα-helixtrans-69.6-39176.300000112N135 L139 V140 V141 W393N135-A137 VanDerWaalsContact C-N 3.26Å; N135-A137 PolarHBondContact O-N 2.93Å; N135-A137 WeakPolarHBondContact OD1-CB 3.19Å; N135-A137 PolarHBondContact OD1-N 3.38Å; N135-A137 VanDerWaalsContact OD1-N 3.11Å; A137-L139 VanDerWaalsContact C-N 3.33Å; A137-V140 PolarHBondContact O-N 3.46Å; A137-V141 PolarHBondContact O-N 2.98Å; A137-W393 HydrophobicContact CB-CE3 4.45Å
138Q90.6Very high88.8Confident2 Ų213.4 Ų13.41%0.0098%0.082CC..Hα-helixtrans-65-39.1172.8-70.3170.6-56.700111.2V134 N135 V141 M142 L388 W393V134-Q138 VanDerWaalsContact CA-OE1 3.28Å; V134-Q138 HydrophobicContact CB-CB 4.06Å; V134-Q138 HydrophobicContact CG1-CB 4.44Å; N135-Q138 WeakPolarHBondContact O-CB 3.32Å; N135-Q138 PolarHBondContact O-N 3.43Å; N135-Q138 VanDerWaalsContact O-N 3.12Å; N135-Q138 WeakPolarHBondContact OD1-CG 3.13Å; N135-Q138 PolarHBondContact OD1-N 2.92Å; Q138-V141 PolarHBondContact O-N 3.32Å; Q138-M142 PolarHBondContact O-N 3.38Å; Q138-L388 HydrophobicContact CB-CD1 4.33Å; Q138-L388 HydrophobicContact CB-CD2 3.83Å; Q138-L388 HydrophobicContact CB-CG 4.49Å; Q138-L388 HydrophobicContact CG-CD2 4.14Å; Q138-L388 PolarHBondContact NE2-O 3.46Å; Q138-L388 WeakPolarHBondContact O-CD2 3.3Å; Q138-W393 HydrophobicContact CG-CB 3.66Å; Q138-W393 HydrophobicContact CG-CG 4.01Å
139L92.2Very high89.4Confident5 Ų513.5 Ų13.53%0.0268%0.084CC..Hα-helixtrans-63.5-40.3175.9-69.4176.4000112.6F79 M83 V127 V134 N135 L136 A137 V141 M142 V143F79-L139 HydrophobicContact CB-CD1 3.82Å; F79-L139 HydrophobicContact CD2-CD1 3.74Å; F79-L139 HydrophobicContact CG-CD1 4.11Å; M83-L139 HydrophobicContact CE-CD1 4.38Å; M83-L139 HydrophobicContact CG-CB 4.21Å; M83-L139 HydrophobicContact SD-CB 3.76Å; M83-L139 HydrophobicContact SD-CD1 3.9Å; M83-L139 HydrophobicContact SD-CD2 3.7Å; M83-L139 HydrophobicContact SD-CG 3.99Å; V127-L139 HydrophobicContact CB-CD2 4.48Å; V127-L139 HydrophobicContact CG1-CD2 3.82Å; V127-L139 HydrophobicContact CG2-CD2 3.76Å; V134-L139 HydrophobicContact CB-CD2 4.5Å; V134-L139 HydrophobicContact CG2-CD1 4.44Å; V134-L139 HydrophobicContact CG2-CD2 3.44Å; V134-L139 VanDerWaalsContact CG2-CD2 3.44Å; V134-L139 HydrophobicContact CG2-CG 3.83Å; N135-L139 WeakPolarHBondContact O-CG 3.38Å; N135-L139 PolarHBondContact O-N 3.49Å; L136-L139 PolarHBondContact O-N 2.97Å; A137-L139 VanDerWaalsContact C-N 3.33Å; L139-V141 VanDerWaalsContact C-N 3.32Å; L139-V141 PolarHBondContact O-N 3.43Å; L139-M142 WeakPolarHBondContact O-CB 3.5Å; L139-M142 PolarHBondContact O-N 3.36Å; L139-V143 VanDerWaalsContact O-CG2 3.28Å; L139-V143 WeakPolarHBondContact O-CG2 3.33Å; L139-V143 PolarHBondContact O-N 3.22Å
140V92.4Very high89.8Confident26 Ų2613.6 Ų13.616%0.1588%0.084CC..Hα-helixtrans-55.6-48.2173167.60000111.1L20 F82 L86 L136 A137 M142 V143 L144L20-V140 HydrophobicContact CD2-CG1 3.7Å; F82-V140 HydrophobicContact CE1-CG2 3.58Å; F82-V140 HydrophobicContact CZ-CG2 4.17Å; L86-V140 HydrophobicContact CD2-CB 4.34Å; L86-V140 HydrophobicContact CD2-CG1 4.01Å; L86-V140 HydrophobicContact CD2-CG2 4.19Å; L136-V140 WeakPolarHBondContact O-CG2 3.27Å; L136-V140 PolarHBondContact O-N 3.47Å; A137-V140 PolarHBondContact O-N 3.46Å; V140-M142 VanDerWaalsContact C-N 3.34Å; V140-M142 PolarHBondContact O-N 2.94Å; V140-V143 PolarHBondContact O-N 3.03Å; V140-L144 HydrophobicContact CG1-CD1 4.25Å; V140-L144 WeakPolarHBondContact O-CG 3.48Å; V140-L144 PolarHBondContact O-N 3.35Å; V140-L144 VanDerWaalsContact O-N 3.08Å
141V92.9Very high90.1Very high18 Ų1813.6 Ų13.611%0.1098%0.084CC..Hα-helixtrans-64.2-42.4179.7175.10000110.8A137 Q138 L139 V143 L144 V145 L387 L388 W393A137-V141 PolarHBondContact O-N 2.98Å; Q138-V141 PolarHBondContact O-N 3.32Å; L139-V141 VanDerWaalsContact C-N 3.32Å; L139-V141 PolarHBondContact O-N 3.43Å; V141-V143 PolarHBondContact O-N 2.86Å; V141-L144 PolarHBondContact O-N 2.98Å; V141-V145 HydrophobicContact CG1-CG2 4.31Å; V141-V145 WeakPolarHBondContact O-CG2 3.29Å; V141-V145 PolarHBondContact O-N 2.91Å; V141-L387 HydrophobicContact CG1-CD2 3.48Å; V141-L387 VanDerWaalsContact CG1-CD2 3.48Å; V141-L387 HydrophobicContact CG1-CG 4.29Å; V141-L388 HydrophobicContact CB-CD2 3.89Å; V141-L388 HydrophobicContact CG1-CD2 3.91Å; V141-W393 HydrophobicContact CG2-CE3 4.44Å; V141-W393 HydrophobicContact CG2-CH2 3.49Å; V141-W393 VanDerWaalsContact CG2-CH2 3.49Å; V141-W393 HydrophobicContact CG2-CZ2 3.9Å; V141-W393 HydrophobicContact CG2-CZ3 3.78Å
142M95Very high90.7Very high0 Ų015.8 Ų15.80%010%0.096CC..Hα-helixtrans-58.5-46.8176.3-171.5173.2167.600111.7S126 V127 V130 Q138 L139 V140 L144 V145 E146 F179 T384 L388S126-M142 VanDerWaalsContact CB-CE 3.43Å; V127-M142 HydrophobicContact CG2-CE 3.81Å; V127-M142 HydrophobicContact CG2-SD 3.82Å; V130-M142 HydrophobicContact CG2-CE 4.24Å; V130-M142 HydrophobicContact CG2-SD 3.89Å; Q138-M142 PolarHBondContact O-N 3.38Å; L139-M142 WeakPolarHBondContact O-CB 3.5Å; L139-M142 PolarHBondContact O-N 3.36Å; V140-M142 VanDerWaalsContact C-N 3.34Å; V140-M142 PolarHBondContact O-N 2.94Å; M142-L144 PolarHBondContact O-N 3.34Å; M142-V145 PolarHBondContact O-N 2.78Å; M142-E146 WeakPolarHBondContact O-CB 3.32Å; M142-E146 PolarHBondContact O-N 2.88Å; M142-F179 HydrophobicContact CE-CD1 4.14Å; M142-F179 HydrophobicContact CE-CE1 3.88Å; M142-F179 HydrophobicContact CG-CE1 3.97Å; M142-T384 HydrophobicContact CB-CG2 4.46Å; M142-T384 HydrophobicContact CG-CG2 4.37Å; M142-L388 HydrophobicContact CB-CD1 4.36Å
143V96.3Very high91.5Very high0 Ų015.8 Ų15.80%010%0.095CC..Hα-helixtrans-56.4-50.2175.4172.60000111.1M83 L86 V123 L139 V140 V141 V145 V147M83-V143 HydrophobicContact CB-CG2 3.74Å; M83-V143 HydrophobicContact CG-CG2 3.68Å; M83-V143 HydrophobicContact SD-CG2 4.28Å; L86-V143 HydrophobicContact CB-CG1 4.5Å; L86-V143 HydrophobicContact CD2-CB 4.29Å; L86-V143 HydrophobicContact CD2-CG1 4.11Å; L86-V143 HydrophobicContact CG-CG1 4.09Å; V123-V143 HydrophobicContact CG1-CB 4.36Å; V123-V143 HydrophobicContact CG1-CG2 3.73Å; L139-V143 VanDerWaalsContact O-CG2 3.28Å; L139-V143 WeakPolarHBondContact O-CG2 3.33Å; L139-V143 PolarHBondContact O-N 3.22Å; V140-V143 PolarHBondContact O-N 3.03Å; V141-V143 PolarHBondContact O-N 2.86Å; V143-V145 PolarHBondContact O-N 3.39Å; V143-V147 HydrophobicContact CG1-CG2 4.34Å; V143-V147 WeakPolarHBondContact O-CB 3.16Å; V143-V147 VanDerWaalsContact O-CG2 3.22Å; V143-V147 WeakPolarHBondContact O-CG2 3.19Å; V143-V147 PolarHBondContact O-N 3.37Å; V143-V147 VanDerWaalsContact O-N 3.11Å
144L95.3Very high92Very high43 Ų4315.6 Ų15.623%0.2259%0.094CC..Hα-helixtrans-62.7-44.3-177.3-67.4175.5000111.8L20 W90 V140 V141 M142 T148L20-L144 HydrophobicContact CD1-CD1 4.42Å; W90-L144 HydrophobicContact CB-CD2 4.39Å; W90-L144 HydrophobicContact CD2-CD2 3.88Å; W90-L144 HydrophobicContact CG-CD2 3.76Å; W90-L144 PolarHBondContact NE1-O 3.44Å; W90-L144 VanDerWaalsContact NE1-O 3.12Å; V140-L144 HydrophobicContact CG1-CD1 4.25Å; V140-L144 WeakPolarHBondContact O-CG 3.48Å; V140-L144 PolarHBondContact O-N 3.35Å; V140-L144 VanDerWaalsContact O-N 3.08Å; V141-L144 PolarHBondContact O-N 2.98Å; M142-L144 PolarHBondContact O-N 3.34Å; L144-T148 VanDerWaalsContact O-CB 3.32Å; L144-T148 WeakPolarHBondContact O-CB 3.29Å; L144-T148 PolarHBondContact O-N 3.48Å; L144-T148 PolarHBondContact O-OG1 3.2Å
145V96.4Very high92.1Very high42 Ų4217.6 Ų17.626%0.25510%0.104SC..Hα-helixtrans-72.3-46.4-178.1178.80000111.6V141 M142 V143 T148 A149 T384V141-V145 HydrophobicContact CG1-CG2 4.31Å; V141-V145 WeakPolarHBondContact O-CG2 3.29Å; V141-V145 PolarHBondContact O-N 2.91Å; M142-V145 PolarHBondContact O-N 2.78Å; V143-V145 PolarHBondContact O-N 3.39Å; V145-T148 PolarHBondContact O-N 3.29Å; V145-A149 WeakPolarHBondContact O-CB 3.37Å; V145-A149 PolarHBondContact O-N 3.38Å; V145-T384 WeakPolarHBondContact CG1-OG1 3.4Å
146E96.4Very high92.1Very high0 Ų019.4 Ų19.40%012%0.115CC..Hα-helixtrans-65.5-46.9-175.8-170.8179.2154.200112.1S122 V123 S126 M142 T148 A149 L150 F175 F179S122-E146 VanDerWaalsContact C-OE1 3.23Å; S122-E146 PolarHBondContact OG-OE1 3.5Å; S122-E146 VanDerWaalsContact OG-OE1 3.08Å; V123-E146 WeakPolarHBondContact CA-OE1 3.48Å; V123-E146 WeakPolarHBondContact CA-OE2 3.42Å; V123-E146 HydrophobicContact CG2-CB 4.1Å; V123-E146 HydrophobicContact CG2-CG 4.19Å; V123-E146 PolarHBondContact N-OE1 3.3Å; S126-E146 WeakPolarHBondContact CB-OE1 3.46Å; S126-E146 WeakPolarHBondContact CB-OE2 3.38Å; S126-E146 PolarHBondContact OG-OE1 3.08Å; S126-E146 PolarHBondContact OG-OE2 2.61Å; M142-E146 WeakPolarHBondContact O-CB 3.32Å; M142-E146 PolarHBondContact O-N 2.88Å; E146-T148 VanDerWaalsContact C-N 3.26Å; E146-T148 PolarHBondContact O-N 3.03Å; E146-A149 PolarHBondContact O-N 2.87Å; E146-A149 VanDerWaalsContact O-N 3.17Å; E146-L150 WeakPolarHBondContact O-CB 3.25Å; E146-L150 PolarHBondContact O-N 3.38Å; E146-F175 HydrophobicContact CG-CE1 3.95Å; E146-F179 HydrophobicContact CB-CD1 4.21Å; E146-F179 HydrophobicContact CB-CE1 3.63Å; E146-F179 HydrophobicContact CB-CE2 4.16Å; E146-F179 HydrophobicContact CB-CZ 3.6Å; E146-F179 VanDerWaalsContact CD-CD1 3.49Å; E146-F179 HydrophobicContact CG-CD1 3.74Å; E146-F179 HydrophobicContact CG-CD2 4.28Å; E146-F179 HydrophobicContact CG-CE1 3.7Å; E146-F179 HydrophobicContact CG-CE2 4.23Å; E146-F179 HydrophobicContact CG-CG 4.05Å; E146-F179 HydrophobicContact CG-CZ 3.96Å; E146-F179 VanDerWaalsContact OE2-CD1 3.24Å; E146-F179 WeakPolarHBondContact OE2-CD1 3.48Å; E146-F179 WeakPolarHBondContact OE2-CE1 3.14Å
147V95.9Very high92Very high1 Ų118.4 Ų18.41%0.00611%0.11CC..Hα-helixtrans-62.9-37.1177.2177.30000110.6A91 L94 V123 V143 G151A91-V147 HydrophobicContact CB-CG1 3.62Å; L94-V147 HydrophobicContact CD1-CB 4.41Å; L94-V147 HydrophobicContact CD1-CG1 3.79Å; V123-V147 HydrophobicContact CG2-CG2 3.58Å; V143-V147 HydrophobicContact CG1-CG2 4.34Å; V143-V147 WeakPolarHBondContact O-CB 3.16Å; V143-V147 VanDerWaalsContact O-CG2 3.22Å; V143-V147 WeakPolarHBondContact O-CG2 3.19Å; V143-V147 PolarHBondContact O-N 3.37Å; V143-V147 VanDerWaalsContact O-N 3.11Å; V147-G151 PolarHBondContact O-N 3.1Å
148T95.4Very high91.8Very high42 Ų4217.9 Ų17.926%0.25810%0.104SC..Hα-helixtrans-64.3-46.3174.3-55.40000111.2W90 L94 L144 V145 E146 L150 G151 N152W90-T148 PolarHBondContact NE1-OG1 3.25Å; L94-T148 HydrophobicContact CD2-CG2 4.45Å; L144-T148 VanDerWaalsContact O-CB 3.32Å; L144-T148 WeakPolarHBondContact O-CB 3.29Å; L144-T148 PolarHBondContact O-N 3.48Å; L144-T148 PolarHBondContact O-OG1 3.2Å; V145-T148 PolarHBondContact O-N 3.29Å; E146-T148 VanDerWaalsContact C-N 3.26Å; E146-T148 PolarHBondContact O-N 3.03Å; T148-L150 PolarHBondContact O-N 3.12Å; T148-G151 PolarHBondContact O-N 3.4Å; T148-N152 WeakPolarHBondContact CG2-ND2 3.43Å; T148-N152 PolarHBondContact O-N 2.97Å; T148-N152 PolarHBondContact O-ND2 3.49Å
149A95.2Very high91.5Very high12 Ų1223 Ų2310%0.09913%0.131CC..Hα-helixtrans-62.8-4217900000111.6V145 E146 N152 L153 F175 I376V145-A149 WeakPolarHBondContact O-CB 3.37Å; V145-A149 PolarHBondContact O-N 3.38Å; E146-A149 PolarHBondContact O-N 2.87Å; E146-A149 VanDerWaalsContact O-N 3.17Å; A149-N152 PolarHBondContact O-N 3.18Å; A149-L153 WeakPolarHBondContact O-CB 3.35Å; A149-L153 PolarHBondContact O-N 3.4Å; A149-F175 HydrophobicContact CB-CZ 3.92Å; A149-I376 HydrophobicContact CB-CG2 4.38Å
150L92.8Very high91Very high3 Ų328 Ų282%0.01616%0.157CC..Hα-helixtrans-65.8-43.3176.3-175.360.7000112E146 T148 N152 L153 R154 M169 F175E146-L150 WeakPolarHBondContact O-CB 3.25Å; E146-L150 PolarHBondContact O-N 3.38Å; T148-L150 PolarHBondContact O-N 3.12Å; L150-N152 PolarHBondContact O-N 3.47Å; L150-L153 HydrophobicContact CD1-CD2 4.25Å; L150-L153 PolarHBondContact O-N 3.05Å; L150-R154 WeakPolarHBondContact O-CG 3.45Å; L150-R154 PolarHBondContact O-N 3.5Å; L150-M169 HydrophobicContact CD2-CE 4.25Å; L150-M169 HydrophobicContact CD2-SD 4.31Å; L150-F175 HydrophobicContact CB-CD1 4.45Å; L150-F175 HydrophobicContact CB-CE1 3.87Å; L150-F175 HydrophobicContact CB-CZ 4.14Å; L150-F175 HydrophobicContact CD1-CD1 3.89Å; L150-F175 HydrophobicContact CD1-CE1 4.14Å; L150-F175 HydrophobicContact CD1-CG 4.12Å; L150-F175 HydrophobicContact CG-CE1 4.48Å
151G90.9Very high90.3Very high0 Ų028.5 Ų28.50%016%0.157CC..Hα-helixtrans-61-42.5174.900000112.6V147 T148 R154 M155V147-G151 PolarHBondContact O-N 3.1Å; T148-G151 PolarHBondContact O-N 3.4Å; G151-R154 PolarHBondContact O-N 3.41Å; G151-M155 PolarHBondContact O-N 3.02Å
152N89.8Confident89.3Confident60 Ų6034.8 Ų34.832%0.32119%0.19SC..Hα-helixtrans-66.9-42.3175.3-79.2-80.4000112.2T148 A149 L150 R154 M155 V156T148-N152 WeakPolarHBondContact CG2-ND2 3.43Å; T148-N152 PolarHBondContact O-N 2.97Å; T148-N152 PolarHBondContact O-ND2 3.49Å; A149-N152 PolarHBondContact O-N 3.18Å; L150-N152 PolarHBondContact O-N 3.47Å; N152-R154 VanDerWaalsContact C-N 3.27Å; N152-R154 PolarHBondContact O-N 2.91Å; N152-M155 PolarHBondContact O-N 2.93Å; N152-V156 WeakPolarHBondContact O-CB 3.46Å; N152-V156 VanDerWaalsContact O-CG2 3.26Å; N152-V156 WeakPolarHBondContact O-CG2 3.44Å; N152-V156 PolarHBondContact O-N 3.38Å
153L90.6Very high88Confident4 Ų437.2 Ų37.22%0.02121%0.205CC..Hα-helixtrans-54.6-46173.417165.9000110.7A149 L150 V156 I157 F175 L372 A373 I376A149-L153 WeakPolarHBondContact O-CB 3.35Å; A149-L153 PolarHBondContact O-N 3.4Å; L150-L153 HydrophobicContact CD1-CD2 4.25Å; L150-L153 PolarHBondContact O-N 3.05Å; L153-V156 PolarHBondContact O-N 3.36Å; L153-I157 HydrophobicContact CD1-CD1 3.5Å; L153-I157 VanDerWaalsContact CD1-CD1 3.5Å; L153-I157 HydrophobicContact CD1-CG1 4.08Å; L153-I157 HydrophobicContact CG-CD1 3.97Å; L153-I157 WeakPolarHBondContact O-CB 3.48Å; L153-I157 WeakPolarHBondContact O-CG1 3.48Å; L153-I157 PolarHBondContact O-N 2.84Å; L153-F175 HydrophobicContact CD2-CD2 3.56Å; L153-F175 HydrophobicContact CD2-CE2 4Å; L153-F175 HydrophobicContact CD2-CG 4.28Å; L153-L372 HydrophobicContact CD1-CD2 4.25Å; L153-L372 HydrophobicContact CD1-CG 3.98Å; L153-A373 HydrophobicContact CD1-CB 4.17Å; L153-A373 HydrophobicContact CD2-CB 3.8Å; L153-I376 HydrophobicContact CB-CD1 4.14Å; L153-I376 HydrophobicContact CD1-CD1 3.81Å
154R88.4Confident86.5Confident1 Ų140 Ų400%0.00422%0.22CC..Hα-helixtrans-60.4-47.6177-74.1-166.2-62.7-106.94.7112.7D95 S119 L150 G151 N152 I157 S158 Y165 N168 M169D95-R154 IonicContact OD1-CZ 3.56Å; D95-R154 IonicContact OD1-NE 3.61Å; D95-R154 IonicContact OD1-NH2 2.73Å; D95-R154 PolarHBondContact OD1-NH2 3.43Å; D95-R154 IonicContact OD2-CZ 3.89Å; D95-R154 IonicContact OD2-NH2 2.91Å; D95-R154 PolarHBondContact OD2-NH2 3.49Å; S119-R154 PolarHBondContact OG-NH1 2.97Å; S119-R154 PolarHBondContact OG-NH2 2.86Å; S119-R154 VanDerWaalsContact OG-NH2 3.15Å; L150-R154 WeakPolarHBondContact O-CG 3.45Å; L150-R154 PolarHBondContact O-N 3.5Å; G151-R154 PolarHBondContact O-N 3.41Å; N152-R154 VanDerWaalsContact C-N 3.27Å; N152-R154 PolarHBondContact O-N 2.91Å; R154-I157 PolarHBondContact O-N 3.04Å; R154-S158 WeakPolarHBondContact O-CB 3.4Å; R154-S158 PolarHBondContact O-N 3.13Å; R154-Y165 HydrophobicContact CB-CE2 4.23Å; R154-N168 WeakPolarHBondContact CA-ND2 3.42Å; R154-M169 PolarHBondContact NH1-SD 3.24Å
155M86.3Confident84.7Confident46 Ų4638.8 Ų38.823%0.22721%0.212CC..Hα-helixtrans-61.2-47178.4-172.3-134.3-77.400111.7L98 G151 N152 I157 S158 N159 Y165L98-M155 HydrophobicContact CB-CE 3.77Å; L98-M155 HydrophobicContact CD1-CE 4.43Å; L98-M155 HydrophobicContact CD2-CE 3.29Å; L98-M155 HydrophobicContact CG-CE 3.96Å; G151-M155 PolarHBondContact O-N 3.02Å; N152-M155 PolarHBondContact O-N 2.93Å; M155-I157 PolarHBondContact O-N 2.91Å; M155-S158 PolarHBondContact O-N 2.7Å; M155-N159 WeakPolarHBondContact O-CB 3.49Å; M155-N159 VanDerWaalsContact O-CG 3.22Å; M155-N159 PolarHBondContact O-N 3.07Å; M155-N159 PolarHBondContact O-ND2 3.36Å; M155-Y165 HydrophobicContact CB-CE2 3.96Å
156V87.6Confident82.8Confident48 Ų4838.7 Ų38.729%0.29121%0.209SC..Hα-helixtrans-62.2-46.1-179.4172.90000110.6N152 L153 N159 I160 L372N152-V156 WeakPolarHBondContact O-CB 3.46Å; N152-V156 VanDerWaalsContact O-CG2 3.26Å; N152-V156 WeakPolarHBondContact O-CG2 3.44Å; N152-V156 PolarHBondContact O-N 3.38Å; L153-V156 PolarHBondContact O-N 3.36Å; V156-N159 PolarHBondContact O-N 3.33Å; V156-I160 HydrophobicContact CG1-CD1 3.48Å; V156-I160 VanDerWaalsContact CG1-CD1 3.48Å; V156-I160 HydrophobicContact CG1-CG1 4.26Å; V156-I160 WeakPolarHBondContact O-CB 3.48Å; V156-I160 VanDerWaalsContact O-CG1 3.29Å; V156-I160 WeakPolarHBondContact O-CG1 3.49Å; V156-I160 PolarHBondContact O-N 3.05Å; V156-L372 HydrophobicContact CG1-CD2 3.72Å
157I84.9Confident80.9Confident0 Ų041.6 Ų41.60%022%0.223CC..Hα-helixtrans-63.7-46.2178.4-73.5172.4000110.7L153 R154 M155 N159 I160 F161 T163 N168 E369 L372L153-I157 HydrophobicContact CD1-CD1 3.5Å; L153-I157 VanDerWaalsContact CD1-CD1 3.5Å; L153-I157 HydrophobicContact CD1-CG1 4.08Å; L153-I157 HydrophobicContact CG-CD1 3.97Å; L153-I157 WeakPolarHBondContact O-CB 3.48Å; L153-I157 WeakPolarHBondContact O-CG1 3.48Å; L153-I157 PolarHBondContact O-N 2.84Å; R154-I157 PolarHBondContact O-N 3.04Å; M155-I157 PolarHBondContact O-N 2.91Å; I157-N159 VanDerWaalsContact C-N 3.29Å; I157-N159 PolarHBondContact O-N 3.17Å; I157-I160 PolarHBondContact O-N 2.83Å; I157-F161 HydrophobicContact CB-CD2 4.27Å; I157-F161 HydrophobicContact CG1-CD2 4.39Å; I157-F161 HydrophobicContact CG1-CE2 4.41Å; I157-F161 HydrophobicContact CG2-CB 4.47Å; I157-F161 HydrophobicContact CG2-CD2 4.04Å; I157-F161 WeakPolarHBondContact O-CB 3.06Å; I157-F161 WeakPolarHBondContact O-CD2 3.33Å; I157-F161 PolarHBondContact O-N 2.93Å; I157-T163 WeakPolarHBondContact CG2-OG1 3.41Å; I157-N168 WeakPolarHBondContact CB-ND2 3.19Å; I157-N168 WeakPolarHBondContact CD1-ND2 3.42Å; I157-N168 HydrophobicContact CG2-CB 4.36Å; I157-N168 VanDerWaalsContact CG2-CG 3.47Å; I157-N168 WeakPolarHBondContact CG2-ND2 3.09Å; I157-E369 HydrophobicContact CD1-CB 4.18Å; I157-E369 HydrophobicContact CD1-CG 4.44Å; I157-E369 HydrophobicContact CG1-CG 4.43Å; I157-E369 HydrophobicContact CG2-CG 3.92Å; I157-E369 WeakPolarHBondContact CG2-OE1 3.46Å; I157-L372 HydrophobicContact CG1-CD2 3.8Å
158S83.3Confident79.1Confident22 Ų2242.1 Ų42.115%0.15423%0.226CC..Hα-helixtrans-59.5-41.4178.9-170.70000112R154 M155 N162 T163 Y165R154-S158 WeakPolarHBondContact O-CB 3.4Å; R154-S158 PolarHBondContact O-N 3.13Å; M155-S158 PolarHBondContact O-N 2.7Å; S158-N162 VanDerWaalsContact O-CA 3.25Å; S158-N162 WeakPolarHBondContact O-CA 3.45Å; S158-N162 PolarHBondContact O-N 3.25Å; S158-N162 VanDerWaalsContact O-N 3.08Å; S158-T163 PolarHBondContact OG-O 3.09Å; S158-Y165 PolarHBondContact OG-N 2.7Å
159N82.8Confident77.7Confident110 Ų11040.8 Ų40.859%0.58822%0.217SC*.Hα-helixtrans-72.8-36.3180-71.4-16.6000113.7M155 V156 I157M155-N159 WeakPolarHBondContact O-CB 3.49Å; M155-N159 VanDerWaalsContact O-CG 3.22Å; M155-N159 PolarHBondContact O-N 3.07Å; M155-N159 PolarHBondContact O-ND2 3.36Å; V156-N159 PolarHBondContact O-N 3.33Å; I157-N159 VanDerWaalsContact C-N 3.29Å; I157-N159 PolarHBondContact O-N 3.17Å
160I82.5Confident76.5Confident111 Ų11142.1 Ų42.157%0.56922%0.222SC*.Hα-helixtrans-83.8-43.8-177.3-67.1177.2000111.2V156 I157V156-I160 HydrophobicContact CG1-CD1 3.48Å; V156-I160 VanDerWaalsContact CG1-CD1 3.48Å; V156-I160 HydrophobicContact CG1-CG1 4.26Å; V156-I160 WeakPolarHBondContact O-CB 3.48Å; V156-I160 VanDerWaalsContact O-CG1 3.29Å; V156-I160 WeakPolarHBondContact O-CG1 3.49Å; V156-I160 PolarHBondContact O-N 3.05Å; I157-I160 PolarHBondContact O-N 2.83Å
161F77.1Confident76Confident36 Ų3642.3 Ų42.316%0.15822%0.222CC..Hα-helixtrans-97.6-2.1-171.2-61.1-95.7000112.6I157 T163 L365 E369I157-F161 HydrophobicContact CB-CD2 4.27Å; I157-F161 HydrophobicContact CG1-CD2 4.39Å; I157-F161 HydrophobicContact CG1-CE2 4.41Å; I157-F161 HydrophobicContact CG2-CB 4.47Å; I157-F161 HydrophobicContact CG2-CD2 4.04Å; I157-F161 WeakPolarHBondContact O-CB 3.06Å; I157-F161 WeakPolarHBondContact O-CD2 3.33Å; I157-F161 PolarHBondContact O-N 2.93Å; F161-T163 HydrophobicContact CB-CG2 4.03Å; F161-T163 PolarHBondContact O-N 3.4Å; F161-L365 HydrophobicContact CD1-CB 3.88Å; F161-L365 HydrophobicContact CD1-CD2 3.47Å; F161-L365 VanDerWaalsContact CD1-CD2 3.47Å; F161-L365 HydrophobicContact CD1-CG 4.13Å; F161-L365 HydrophobicContact CE1-CB 4.23Å; F161-L365 HydrophobicContact CE1-CD2 3.78Å; F161-E369 WeakPolarHBondContact CB-OE1 3.49Å; F161-E369 HydrophobicContact CD1-CG 3.79Å; F161-E369 HydrophobicContact CD2-CG 3.9Å; F161-E369 HydrophobicContact CE1-CG 3.91Å; F161-E369 HydrophobicContact CE2-CG 3.97Å; F161-E369 HydrophobicContact CG-CG 3.82Å; F161-E369 HydrophobicContact CZ-CG 3.99Å
162N72Confident75.7Confident150 Ų15042.6 Ų42.680%0.80222%0.224SC*.  trans52.730.3-175.3-69.6-45.1000113S158S158-N162 VanDerWaalsContact O-CA 3.25Å; S158-N162 WeakPolarHBondContact O-CA 3.45Å; S158-N162 PolarHBondContact O-N 3.25Å; S158-N162 VanDerWaalsContact O-N 3.08Å
163T67.6Low75.6Confident50 Ų5040.1 Ų40.131%0.30721%0.21SC..  trans-88.6154.7177.6500000110.7I157 S158 F161 Y165 E369I157-T163 WeakPolarHBondContact CG2-OG1 3.41Å; S158-T163 PolarHBondContact OG-O 3.09Å; F161-T163 HydrophobicContact CB-CG2 4.03Å; F161-T163 PolarHBondContact O-N 3.4Å; T163-Y165 PolarHBondContact O-N 3.39Å; T163-Y165 VanDerWaalsContact O-N 3.13Å; T163-E369 WeakPolarHBondContact CG2-OE1 3.3Å
164D66.1Low75.6Confident58 Ų5840 Ų4031%0.3121%0.209SC..  trans-60.6117179.1-170.5-16.3000109.6H166 M167 R229D164-H166 PolarHBondContact O-N 3.21Å; D164-H166 IonicContact OD1-CD2 3.71Å; D164-H166 PolarHBondContact OD1-N 3.14Å; D164-M167 HydrophobicContact CB-CB 4.06Å; D164-M167 HydrophobicContact CB-CG 3.71Å; D164-M167 PolarHBondContact O-N 3.46Å; D164-R229 IonicContact OD1-CZ 2.98Å; D164-R229 IonicContact OD1-NH1 2.67Å; D164-R229 IonicContact OD1-NH2 3.22Å; D164-R229 PolarHBondContact OD1-NH2 2.97Å; D164-R229 VanDerWaalsContact OD1-NH2 3.13Å; D164-R229 IonicContact OD2-CZ 3.73Å; D164-R229 IonicContact OD2-NE 3.74Å; D164-R229 IonicContact OD2-NH1 3.76Å; D164-R229 PolarHBondContact OD2-NH1 3.4Å; D164-R229 IonicContact OD2-NH2 3.13Å; D164-R229 PolarHBondContact OD2-NH2 3.39Å
165Y57.3Low75.8Confident19 Ų1939.9 Ų39.98%0.07521%0.209CC..THydrogen-bonded Turntrans-47.1-32.8-177.4-179.5-89.2000112.8D95 R154 M155 S158 T163D95-Y165 PolarHBondContact OD1-OH 3.42Å; R154-Y165 HydrophobicContact CB-CE2 4.23Å; M155-Y165 HydrophobicContact CB-CE2 3.96Å; S158-Y165 PolarHBondContact OG-N 2.7Å; T163-Y165 PolarHBondContact O-N 3.39Å; T163-Y165 VanDerWaalsContact O-N 3.13Å
166H56.2Low76.1Confident40 Ų4037.7 Ų37.719%0.18520%0.198CC..THydrogen-bonded Turntrans-89.6-18.4-176-59-65.1000114.8F111 L115 D164 R229F111-H166 HydrophobicContact CE1-CB 3.7Å; F111-H166 AromaticContact CE1-CG 3.54Å; F111-H166 AromaticContact CE1-ND1 3.58Å; F111-H166 HydrophobicContact CZ-CB 3.75Å; L115-H166 VanDerWaalsContact CD2-ND1 3.27Å; L115-H166 WeakPolarHBondContact CD2-ND1 3.23Å; D164-H166 PolarHBondContact O-N 3.21Å; D164-H166 IonicContact OD1-CD2 3.71Å; D164-H166 PolarHBondContact OD1-N 3.14Å; H166-R229 PolarHBondContact CD2-NH2 2.85Å; H166-R229 VanDerWaalsContact CD2-NH2 3.33Å
167M56.8Low76.2Confident61 Ų6135.5 Ų35.530%0.319%0.185SC..THydrogen-bonded Turntrans-84.1-15178.9-65.5-69.9-93.300112.2D164 M169 M170 L228D164-M167 HydrophobicContact CB-CB 4.06Å; D164-M167 HydrophobicContact CB-CG 3.71Å; D164-M167 PolarHBondContact O-N 3.46Å; M167-M169 PolarHBondContact O-N 2.96Å; M167-M170 WeakPolarHBondContact O-CG 3.02Å; M167-L228 HydrophobicContact CE-CD2 4.08Å
168N58.6Low76.5Confident11 Ų1138 Ų386%0.05920%0.195CC..THydrogen-bonded Turntrans-79.133-175.1-170.230.6000115R154 I157 M170R154-N168 WeakPolarHBondContact CA-ND2 3.42Å; I157-N168 WeakPolarHBondContact CB-ND2 3.19Å; I157-N168 WeakPolarHBondContact CD1-ND2 3.42Å; I157-N168 HydrophobicContact CG2-CB 4.36Å; I157-N168 VanDerWaalsContact CG2-CG 3.47Å; I157-N168 WeakPolarHBondContact CG2-ND2 3.09Å; N168-M170 VanDerWaalsContact C-N 3.33Å
169M65.1Low77.1Confident15 Ų1537 Ų377%0.07419%0.188CC..THydrogen-bonded Turntrans-95.78171-72.1-66.3-115.100112.3L115 M118 S119 L150 R154 M167 H171 I172 L227L115-M169 HydrophobicContact CD1-CE 4.14Å; L115-M169 HydrophobicContact CD1-CG 3.94Å; M118-M169 HydrophobicContact CB-CE 3.55Å; S119-M169 WeakPolarHBondContact OG-CE 3.41Å; L150-M169 HydrophobicContact CD2-CE 4.25Å; L150-M169 HydrophobicContact CD2-SD 4.31Å; R154-M169 PolarHBondContact NH1-SD 3.24Å; M167-M169 PolarHBondContact O-N 2.96Å; M169-H171 VanDerWaalsContact C-N 3.27Å; M169-H171 PolarHBondContact O-N 3.23Å; M169-I172 HydrophobicContact CE-CD1 4.03Å; M169-I172 VanDerWaalsContact O-CB 3.31Å; M169-I172 WeakPolarHBondContact O-CB 3.28Å; M169-I172 VanDerWaalsContact O-CG2 3.3Å; M169-I172 WeakPolarHBondContact O-CG2 3.43Å; M169-I172 PolarHBondContact O-N 2.97Å; M169-I172 HydrophobicContact SD-CD1 4.4Å; M169-L227 HydrophobicContact CB-CD1 3.53Å; M169-L227 HydrophobicContact CG-CD1 3.54Å
170M70.3Confident77.5Confident39 Ų3931.7 Ų31.719%0.19216%0.16CC..THydrogen-bonded Turntrans-58.5-44.1178.4-54.9-174.477.400110M167 N168 I172 T283 Y343M167-M170 WeakPolarHBondContact O-CG 3.02Å; N168-M170 VanDerWaalsContact C-N 3.33Å; M170-I172 PolarHBondContact O-N 3.31Å; M170-T283 VanDerWaalsContact C-CG2 3.49Å; M170-T283 HydrophobicContact CB-CG2 3.8Å; M170-T283 WeakPolarHBondContact CE-O 3.47Å; M170-T283 WeakPolarHBondContact O-CG2 3.38Å; M170-Y343 HydrophobicContact CE-CD1 4.45Å; M170-Y343 HydrophobicContact CE-CD2 3.57Å; M170-Y343 HydrophobicContact CE-CE1 4.2Å; M170-Y343 HydrophobicContact CE-CE2 3.26Å; M170-Y343 HydrophobicContact CE-CG 4.17Å; M170-Y343 HydrophobicContact SD-CE2 4.43Å
171H81.4Confident77.8Confident7 Ų727.6 Ų27.63%0.03214%0.139CC..THydrogen-bonded Turntrans-78.39.6-176.6-50.9-48.8000115.1M169 Y173 V174 F175 E340 E369 A373M169-H171 VanDerWaalsContact C-N 3.27Å; M169-H171 PolarHBondContact O-N 3.23Å; H171-Y173 PolarHBondContact O-N 3.41Å; H171-V174 PolarHBondContact O-N 3.18Å; H171-F175 VanDerWaalsContact O-CB 3.24Å; H171-F175 WeakPolarHBondContact O-CB 3.43Å; H171-F175 PolarHBondContact O-N 3.42Å; H171-E340 WeakPolarHBondContact CA-OE1 3.47Å; H171-E340 IonicContact CE1-OE1 3.63Å; H171-E340 IonicContact CE1-OE2 3.38Å; H171-E340 PolarHBondContact CE1-OE2 3.33Å; H171-E340 IonicContact CG-OE1 3.66Å; H171-E340 IonicContact ND1-OE1 2.71Å; H171-E340 PolarHBondContact ND1-OE1 3.36Å; H171-E340 IonicContact ND1-OE2 3.28Å; H171-E340 PolarHBondContact ND1-OE2 3.04Å; H171-E369 WeakPolarHBondContact NE2-CB 3.43Å; H171-A373 HydrophobicContact CB-CB 3.75Å
172I85.6Confident78.5Confident7 Ų726.2 Ų26.24%0.03613%0.133CC..Hα-helixtrans-60.7-43-171-163.7172.7000113.1M118 M169 M170 A176M118-I172 VanDerWaalsContact O-CD1 3.29Å; M118-I172 WeakPolarHBondContact O-CD1 3.24Å; M169-I172 HydrophobicContact CE-CD1 4.03Å; M169-I172 VanDerWaalsContact O-CB 3.31Å; M169-I172 WeakPolarHBondContact O-CB 3.28Å; M169-I172 VanDerWaalsContact O-CG2 3.3Å; M169-I172 WeakPolarHBondContact O-CG2 3.43Å; M169-I172 PolarHBondContact O-N 2.97Å; M169-I172 HydrophobicContact SD-CD1 4.4Å; M170-I172 PolarHBondContact O-N 3.31Å; I172-A176 WeakPolarHBondContact O-CB 2.84Å; I172-A176 PolarHBondContact O-N 3.02Å
173Y87.6Confident79.4Confident8 Ų819 Ų193%0.03110%0.095CC..Hα-helixtrans-67-43.5-178.6-67.2-63.1000111.6I125 H171 A177 W220 F223 N224 V279 F332I125-Y173 HydrophobicContact CD1-CD1 3.97Å; I125-Y173 HydrophobicContact CD1-CE1 4.05Å; H171-Y173 PolarHBondContact O-N 3.41Å; Y173-A177 WeakPolarHBondContact O-CB 3.04Å; Y173-A177 PolarHBondContact O-N 2.86Å; Y173-W220 HydrophobicContact CE1-CZ2 4.04Å; Y173-W220 WeakPolarHBondContact OH-CZ2 3.22Å; Y173-W220 PolarHBondContact OH-NE1 3.43Å; Y173-F223 HydrophobicContact CE1-CE1 4.1Å; Y173-F223 HydrophobicContact CE1-CZ 4.45Å; Y173-F223 HydrophobicContact CE2-CE1 4.09Å; Y173-F223 AromaticContact CZ-CE1 3.47Å; Y173-F223 VanDerWaalsContact CZ-CE1 3.47Å; Y173-F223 WeakPolarHBondContact OH-CD1 3.35Å; Y173-F223 WeakPolarHBondContact OH-CE1 3.4Å; Y173-N224 PolarHBondContact OH-OD1 2.83Å; Y173-V279 HydrophobicContact CD1-CG1 3.97Å; Y173-V279 HydrophobicContact CD2-CG1 4.15Å; Y173-V279 HydrophobicContact CE1-CG1 4.4Å; Y173-V279 HydrophobicContact CE1-CG2 4.35Å; Y173-V279 HydrophobicContact CG-CG1 3.82Å; Y173-F332 HydrophobicContact CD1-CD1 4.37Å
174V89.9Confident80.4Confident0 Ų016.9 Ų16.90%08%0.082CC..Hα-helixtrans-64.8-51.4177.3174.50000109.5H171 A176 A177 Y178 L337 E340 L370 I374H171-V174 PolarHBondContact O-N 3.18Å; V174-A176 PolarHBondContact O-N 3.03Å; V174-A177 PolarHBondContact O-N 3.46Å; V174-Y178 HydrophobicContact CG1-CD2 3.61Å; V174-Y178 HydrophobicContact CG1-CE2 3.78Å; V174-Y178 WeakPolarHBondContact O-CB 3.35Å; V174-Y178 VanDerWaalsContact O-CD2 3.22Å; V174-Y178 WeakPolarHBondContact O-CD2 3.33Å; V174-Y178 PolarHBondContact O-N 3.01Å; V174-L337 HydrophobicContact CG1-CD2 4.19Å; V174-L337 HydrophobicContact CG2-CD2 4.22Å; V174-L337 HydrophobicContact CG2-CG 4.47Å; V174-E340 HydrophobicContact CG2-CG 3.92Å; V174-L370 HydrophobicContact CB-CD1 4.49Å; V174-L370 HydrophobicContact CG1-CD1 3.99Å; V174-L370 HydrophobicContact CG2-CD1 4.39Å; V174-I374 HydrophobicContact CG1-CD1 4.18Å; V174-I374 HydrophobicContact CG1-CG1 3.63Å
175F92.5Very high81.3Confident0 Ų022.3 Ų22.30%010%0.098CC..Hα-helixtrans-55.6-55.1179.4178.3-89.5000111.8E146 A149 L150 L153 H171 A177 Y178 F179 I376 A377E146-F175 HydrophobicContact CG-CE1 3.95Å; A149-F175 HydrophobicContact CB-CZ 3.92Å; L150-F175 HydrophobicContact CB-CD1 4.45Å; L150-F175 HydrophobicContact CB-CE1 3.87Å; L150-F175 HydrophobicContact CB-CZ 4.14Å; L150-F175 HydrophobicContact CD1-CD1 3.89Å; L150-F175 HydrophobicContact CD1-CE1 4.14Å; L150-F175 HydrophobicContact CD1-CG 4.12Å; L150-F175 HydrophobicContact CG-CE1 4.48Å; L153-F175 HydrophobicContact CD2-CD2 3.56Å; L153-F175 HydrophobicContact CD2-CE2 4Å; L153-F175 HydrophobicContact CD2-CG 4.28Å; H171-F175 VanDerWaalsContact O-CB 3.24Å; H171-F175 WeakPolarHBondContact O-CB 3.43Å; H171-F175 PolarHBondContact O-N 3.42Å; F175-A177 PolarHBondContact O-N 3.44Å; F175-Y178 PolarHBondContact O-N 3.48Å; F175-F179 WeakPolarHBondContact O-CB 3.31Å; F175-F179 PolarHBondContact O-N 3.44Å; F175-I376 HydrophobicContact CE2-CB 4.47Å; F175-I376 HydrophobicContact CE2-CG2 4.03Å; F175-A377 HydrophobicContact CD2-CB 3.63Å; F175-A377 HydrophobicContact CE2-CB 3.97Å; F175-A377 HydrophobicContact CG-CB 4.17Å; F175-A377 WeakPolarHBondContact O-CB 3.34Å
176A92.3Very high82.7Confident0 Ų022.5 Ų22.50%010%0.102CC..Hα-helixtrans-60.7-47.4-178.100000111.8S122 I125 S126 I172 V174 Y178 F179 G180S122-A176 WeakPolarHBondContact O-CB 3.43Å; I125-A176 HydrophobicContact CB-CB 4Å; I125-A176 HydrophobicContact CG2-CB 3.93Å; S126-A176 VanDerWaalsContact OG-C 3.31Å; S126-A176 WeakPolarHBondContact OG-CA 3.19Å; S126-A176 WeakPolarHBondContact OG-CB 3.22Å; S126-A176 PolarHBondContact OG-O 3.33Å; I172-A176 WeakPolarHBondContact O-CB 2.84Å; I172-A176 PolarHBondContact O-N 3.02Å; V174-A176 PolarHBondContact O-N 3.03Å; A176-Y178 PolarHBondContact O-N 2.94Å; A176-F179 PolarHBondContact O-N 3.39Å; A176-G180 PolarHBondContact O-N 3.37Å
177A90.5Very high84Confident2 Ų221.2 Ų21.22%0.01710%0.097CC..Hα-helixtrans-62.7-45-178.200000112.4Y173 V174 F175 L181 G329 F332Y173-A177 WeakPolarHBondContact O-CB 3.04Å; Y173-A177 PolarHBondContact O-N 2.86Å; V174-A177 PolarHBondContact O-N 3.46Å; F175-A177 PolarHBondContact O-N 3.44Å; A177-L181 VanDerWaalsContact O-CB 3.25Å; A177-L181 WeakPolarHBondContact O-CB 3.34Å; A177-L181 PolarHBondContact O-N 3.46Å; A177-G329 WeakPolarHBondContact CB-O 3.49Å; A177-F332 HydrophobicContact CB-CB 4.36Å
178Y91.5Very high84.9Confident52 Ų5220.4 Ų20.420%0.20410%0.096CC..Hα-helixtrans-69.7-36.8177.5-82-70.1000112.8V174 F175 A176 S182 S333 L337 I374 L378V174-Y178 HydrophobicContact CG1-CD2 3.61Å; V174-Y178 HydrophobicContact CG1-CE2 3.78Å; V174-Y178 WeakPolarHBondContact O-CB 3.35Å; V174-Y178 VanDerWaalsContact O-CD2 3.22Å; V174-Y178 WeakPolarHBondContact O-CD2 3.33Å; V174-Y178 PolarHBondContact O-N 3.01Å; F175-Y178 PolarHBondContact O-N 3.48Å; A176-Y178 PolarHBondContact O-N 2.94Å; Y178-S182 WeakPolarHBondContact O-CB 3.31Å; Y178-S182 PolarHBondContact O-N 3.13Å; Y178-S182 PolarHBondContact O-OG 3.4Å; Y178-S333 WeakPolarHBondContact CE2-OG 3.36Å; Y178-S333 VanDerWaalsContact CZ-OG 3.23Å; Y178-S333 PolarHBondContact OH-OG 3.45Å; Y178-L337 HydrophobicContact CE2-CD1 4.24Å; Y178-L337 HydrophobicContact CE2-CD2 4.41Å; Y178-L337 HydrophobicContact CE2-CG 4.29Å; Y178-L337 WeakPolarHBondContact OH-CD1 3.31Å; Y178-I374 HydrophobicContact CD2-CG1 4.28Å; Y178-I374 HydrophobicContact CE2-CG1 4.35Å; Y178-L378 HydrophobicContact CD1-CD2 3.9Å; Y178-L378 HydrophobicContact CG-CD2 4.45Å
179F94.4Very high85.5Confident0 Ų025.8 Ų25.80%012%0.119CC..Hα-helixtrans-61.3-56174.3-179.6-87.4000110.5M142 E146 F175 A176 L181 S182 V183 A377 S380 G381 T384M142-F179 HydrophobicContact CE-CD1 4.14Å; M142-F179 HydrophobicContact CE-CE1 3.88Å; M142-F179 HydrophobicContact CG-CE1 3.97Å; E146-F179 HydrophobicContact CB-CD1 4.21Å; E146-F179 HydrophobicContact CB-CE1 3.63Å; E146-F179 HydrophobicContact CB-CE2 4.16Å; E146-F179 HydrophobicContact CB-CZ 3.6Å; E146-F179 VanDerWaalsContact CD-CD1 3.49Å; E146-F179 HydrophobicContact CG-CD1 3.74Å; E146-F179 HydrophobicContact CG-CD2 4.28Å; E146-F179 HydrophobicContact CG-CE1 3.7Å; E146-F179 HydrophobicContact CG-CE2 4.23Å; E146-F179 HydrophobicContact CG-CG 4.05Å; E146-F179 HydrophobicContact CG-CZ 3.96Å; E146-F179 VanDerWaalsContact OE2-CD1 3.24Å; E146-F179 WeakPolarHBondContact OE2-CD1 3.48Å; E146-F179 WeakPolarHBondContact OE2-CE1 3.14Å; F175-F179 WeakPolarHBondContact O-CB 3.31Å; F175-F179 PolarHBondContact O-N 3.44Å; A176-F179 PolarHBondContact O-N 3.39Å; F179-L181 VanDerWaalsContact C-N 3.31Å; F179-L181 PolarHBondContact O-N 2.92Å; F179-S182 WeakPolarHBondContact O-CB 3.48Å; F179-S182 PolarHBondContact O-N 2.77Å; F179-S182 VanDerWaalsContact O-N 3.12Å; F179-V183 HydrophobicContact CD1-CG2 4.09Å; F179-V183 HydrophobicContact CE1-CG2 3.76Å; F179-V183 HydrophobicContact CZ-CG2 4.17Å; F179-V183 WeakPolarHBondContact O-CG2 3.17Å; F179-V183 PolarHBondContact O-N 3.26Å; F179-A377 HydrophobicContact CB-CB 4.34Å; F179-S380 VanDerWaalsContact CD2-OG 3.3Å; F179-S380 WeakPolarHBondContact CD2-OG 3.21Å; F179-S380 WeakPolarHBondContact CE2-OG 3.35Å; F179-G381 VanDerWaalsContact CD2-CA 3.47Å; F179-T384 HydrophobicContact CE1-CG2 4.49Å; F179-T384 HydrophobicContact CZ-CG2 3.98Å; F179-T384 WeakPolarHBondContact CZ-OG1 3.45Å
180G91.8Very high85.5Confident0 Ų027.8 Ų27.80%013%0.133CC..Hα-helixtrans-58.1-41.2179.200000112.9S126 A129 A176 V183 A184S126-G180 WeakPolarHBondContact O-CA 3.31Å; A129-G180 VanDerWaalsContact CB-C 3.48Å; A129-G180 WeakPolarHBondContact CB-O 3.47Å; A176-G180 PolarHBondContact O-N 3.37Å; G180-V183 PolarHBondContact O-N 3.32Å; G180-A184 WeakPolarHBondContact O-CB 3.48Å; G180-A184 PolarHBondContact O-N 2.98Å
181L88.8Confident84.9Confident25 Ų2530.7 Ų30.713%0.13115%0.148CC..Hα-helixtrans-65-40.1176.9-167.265000112.2A177 F179 A184 W185 I322 Y330A177-L181 VanDerWaalsContact O-CB 3.25Å; A177-L181 WeakPolarHBondContact O-CB 3.34Å; A177-L181 PolarHBondContact O-N 3.46Å; F179-L181 VanDerWaalsContact C-N 3.31Å; F179-L181 PolarHBondContact O-N 2.92Å; L181-A184 PolarHBondContact O-N 3.18Å; L181-W185 PolarHBondContact O-N 3.32Å; L181-I322 HydrophobicContact CD1-CD1 4.14Å; L181-I322 HydrophobicContact CD1-CG2 3.93Å; L181-I322 HydrophobicContact CD2-CD1 4.46Å; L181-Y330 HydrophobicContact CD2-CD2 4.24Å
182S91.2Very high83.7Confident6 Ų636.1 Ų36.14%0.04218%0.184CC..Hα-helixtrans-65.8-40.3177.2-600000112Y178 F179 W185 C186 L378Y178-S182 WeakPolarHBondContact O-CB 3.31Å; Y178-S182 PolarHBondContact O-N 3.13Å; Y178-S182 PolarHBondContact O-OG 3.4Å; F179-S182 WeakPolarHBondContact O-CB 3.48Å; F179-S182 PolarHBondContact O-N 2.77Å; F179-S182 VanDerWaalsContact O-N 3.12Å; S182-W185 PolarHBondContact O-N 3.44Å; S182-C186 PolarHBondContact O-SG 3.34Å; S182-C186 VanDerWaalsContact O-SG 3.38Å; S182-L378 WeakPolarHBondContact OG-CD2 3.29Å
183V91.9Very high81.8Confident0 Ų043 Ų430%022%0.216CC..Hα-helixtrans-61.9-49.1172.4179.70000109.9V130 F179 G180 W185 C186 L187 G381 T384 L388V130-V183 HydrophobicContact CG1-CB 4.08Å; V130-V183 HydrophobicContact CG1-CG1 3.76Å; F179-V183 HydrophobicContact CD1-CG2 4.09Å; F179-V183 HydrophobicContact CE1-CG2 3.76Å; F179-V183 HydrophobicContact CZ-CG2 4.17Å; F179-V183 WeakPolarHBondContact O-CG2 3.17Å; F179-V183 PolarHBondContact O-N 3.26Å; G180-V183 PolarHBondContact O-N 3.32Å; V183-W185 PolarHBondContact O-N 2.88Å; V183-C186 PolarHBondContact O-N 3.45Å; V183-C186 VanDerWaalsContact O-N 3.09Å; V183-L187 PolarHBondContact O-N 3.39Å; V183-G381 VanDerWaalsContact CG2-O 3.27Å; V183-G381 WeakPolarHBondContact CG2-O 3.35Å; V183-T384 HydrophobicContact CG2-CG2 3.98Å; V183-L388 HydrophobicContact CG1-CD1 3.82Å
184A87.6Confident79.4Confident4 Ų445.3 Ų45.33%0.03324%0.243CC..Hα-helixtrans-59.8-32.2-17900000113.1A129 V130 G180 L181 C186 L187A129-A184 HydrophobicContact CB-CB 4.15Å; V130-A184 HydrophobicContact CG1-CB 3.8Å; G180-A184 WeakPolarHBondContact O-CB 3.48Å; G180-A184 PolarHBondContact O-N 2.98Å; L181-A184 PolarHBondContact O-N 3.18Å; A184-C186 VanDerWaalsContact C-N 3.32Å; A184-L187 PolarHBondContact O-N 3.5Å
185W85.3Confident76.8Confident172 Ų17252.7 Ų52.765%0.65229%0.288SS*.Hα-helixtrans-68.2-30.8177.8-166.410000113.1L181 S182 V183L181-W185 PolarHBondContact O-N 3.32Å; S182-W185 PolarHBondContact O-N 3.44Å; V183-W185 PolarHBondContact O-N 2.88Å
186C87.1Confident74.1Confident23 Ų2360.7 Ų60.716%0.15533%0.326CS..Hα-helixtrans-81.1-16.6179.5-61.50000113.6S182 V183 A184 G385 N389S182-C186 PolarHBondContact O-SG 3.34Å; S182-C186 VanDerWaalsContact O-SG 3.38Å; V183-C186 PolarHBondContact O-N 3.45Å; V183-C186 VanDerWaalsContact O-N 3.09Å; A184-C186 VanDerWaalsContact C-N 3.32Å; C186-G385 VanDerWaalsContact CB-C 3.41Å; C186-N389 PolarHBondContact O-ND2 3.34Å; C186-N389 VanDerWaalsContact O-ND2 3.17Å
187L83.3Confident71.5Confident14 Ų1464.6 Ų64.67%0.07335%0.346CS..SBendtrans-81.4150.7-175.8-68.1176.5000112.1V130 V134 V183 A184 K189 L388V130-L187 HydrophobicContact CB-CD1 4.05Å; V130-L187 HydrophobicContact CG1-CD1 3.82Å; V134-L187 HydrophobicContact CG1-CD1 3.57Å; V183-L187 PolarHBondContact O-N 3.39Å; A184-L187 PolarHBondContact O-N 3.5Å; L187-K189 PolarHBondContact O-N 2.88Å; L187-L388 HydrophobicContact CD2-CB 4.26Å
188P76.8Confident68.8Low43 Ų4373.7 Ų73.728%0.27939%0.386SS..PPolyproline II helixtrans-60.2138.4178.5-19.630.7000112.3E398 Y401P188-E398 HydrophobicContact CB-CG 4.23Å; P188-E398 WeakPolarHBondContact CB-OE1 3.43Å; P188-Y401 PolarHBondContact O-OH 2.96Å
189K70.8Confident66.2Low125 Ų12576.4 Ų76.454%0.54340%0.404SS..PPolyproline II helixtrans-72149.6-179.1-66.8-177.1-178.3-178.50110.4L187 G321L187-K189 PolarHBondContact O-N 2.88Å; K189-G321 VanDerWaalsContact CE-O 3.24Å; K189-G321 WeakPolarHBondContact CE-O 3.42Å
190P64.6Low63.6Low56 Ų5682.2 Ų82.236%0.36443%0.431SS..PPolyproline II helixtrans-59.9147.1169.7-13.927.3000110.2Y401P190-Y401 HydrophobicContact CB-CD2 4.46Å; P190-Y401 HydrophobicContact CG-CD2 4.44Å
191L58.4Low60.9Low100 Ų10087 Ų8752%0.52446%0.46SS..PPolyproline II helixtrans-59.6141.8170.8-88.595.9000110E193 E398L191-E193 PolarHBondContact O-N 2.93Å; L191-E398 HydrophobicContact CD1-CB 3.61Å; L191-E398 WeakPolarHBondContact CD1-OE2 3.31Å
192P55.8Low58.4Low121 Ų12187.2 Ų87.279%0.78647%0.466SS*.PPolyproline II helixtrans-60.5126.8171.624.6-31.7000109.5G194P192-G194 PolarHBondContact O-N 3.15Å
193E46.6Very low56.3Low151 Ų15191.4 Ų91.471%0.70649%0.491SS*.  trans-58.2105.2179.7-73.8176.4171.700110.5L191 T195L191-E193 PolarHBondContact O-N 2.93Å; E193-T195 PolarHBondContact O-N 2.98Å
194G36.9Very low54.1Low57 Ų5796 Ų9659%0.58852%0.515SS*.  trans-82.5100.3162.200000108.8P192 E196P192-G194 PolarHBondContact O-N 3.15Å; G194-E196 PolarHBondContact O-N 3Å
195T35.2Very low52.5Low155 Ų15597.6 Ų97.695%0.95152%0.524SS*.SBendtrans378.8158.445.50000122E193E193-T195 PolarHBondContact O-N 2.98Å
196E35.5Very low51.4Low169 Ų16990.7 Ų90.779%0.7950%0.502SS*.SBendtrans-120121.6178.5-68.5-171.4165.600109.6G194G194-E196 PolarHBondContact O-N 3Å
197D36.8Very low50.7Low81 Ų8196.6 Ų96.643%0.43353%0.532SS..  trans67.674-177.3-66.1-14.5000117.9D199 Q200D197-D199 PolarHBondContact O-N 3.07Å; D197-Q200 HydrophobicContact CB-CG 3.88Å; D197-Q200 PolarHBondContact O-N 3.41Å; D197-Q200 VanDerWaalsContact O-N 3.08Å
198K34.9Very low50.5Low194 Ų19496.9 Ų96.984%0.84354%0.535SS*.THydrogen-bonded Turntrans-50.7-11.6147.7-78179.4174.7174.70113.3T201K198-T201 PolarHBondContact O-OG1 3.4Å
199D36.5Very low50.6Low109 Ų10995 Ų9558%0.58352%0.523SS*.THydrogen-bonded Turntrans-87.5-9.6177.6-77.7-14.1000115.6D197 T201 A202D197-D199 PolarHBondContact O-N 3.07Å; D199-T201 VanDerWaalsContact C-N 3.31Å; D199-A202 HydrophobicContact CB-CB 4.34Å; D199-A202 WeakPolarHBondContact O-CB 3.43Å; D199-A202 PolarHBondContact O-N 2.9Å; D199-A202 VanDerWaalsContact O-N 3.16Å
200Q39.5Very low51.3Low122 Ų12291.8 Ų91.857%0.5751%0.51SS*.THydrogen-bonded Turntrans-74-26.1171.5-73.9-179.435.900112.2D197D197-Q200 HydrophobicContact CB-CG 3.88Å; D197-Q200 PolarHBondContact O-N 3.41Å; D197-Q200 VanDerWaalsContact O-N 3.08Å
201T35.8Very low52.4Low99 Ų9992.6 Ų92.661%0.60751%0.511SS*.THydrogen-bonded Turntrans-86.7-0.3166.120.70000114.2K198 D199 T203K198-T201 PolarHBondContact O-OG1 3.4Å; D199-T201 VanDerWaalsContact C-N 3.31Å; T201-T203 VanDerWaalsContact C-N 3.31Å; T201-T203 PolarHBondContact O-N 3.04Å
202A36.3Very low53.8Low31 Ų3187.8 Ų87.826%0.25649%0.486SS..  trans-75.983.8-179.700000111.8R70 D199 I204R70-A202 WeakPolarHBondContact CD-O 3.05Å; D199-A202 HydrophobicContact CB-CB 4.34Å; D199-A202 WeakPolarHBondContact O-CB 3.43Å; D199-A202 PolarHBondContact O-N 2.9Å; D199-A202 VanDerWaalsContact O-N 3.16Å; A202-I204 PolarHBondContact O-N 3.49Å
203T47.7Very low55.4Low93 Ų9382.1 Ų82.157%0.57145%0.449SS*.  trans-5.3108.8153.7-40.80000116.5T201 K267T201-T203 VanDerWaalsContact C-N 3.31Å; T201-T203 PolarHBondContact O-N 3.04Å; T203-K267 HydrophobicContact CG2-CD 4.19Å
204I45.1Very low57.5Low98 Ų9879.3 Ų79.350%0.50344%0.439SS..  trans169.5133.1133-85.9162.1000107.2R70 A202R70-I204 WeakPolarHBondContact CG-O 3.33Å; A202-I204 PolarHBondContact O-N 3.49Å
205P52.8Low60.2Low36 Ų3679 Ų7923%0.23442%0.421CS..  -114.389.751.419.91.5000113.2L207 S208 A209P205-L207 PolarHBondContact O-N 2.9Å; P205-S208 WeakPolarHBondContact CB-OG 3.14Å; P205-S208 WeakPolarHBondContact CG-OG 3.42Å; P205-S208 PolarHBondContact O-N 3.49Å; P205-S208 PolarHBondContact O-OG 3.24Å; P205-A209 PolarHBondContact O-N 2.95Å
206S62.2Low62.9Low27 Ų2771.7 Ų71.719%0.18938%0.376CS..Hα-helixtrans-56.7-22.8170.957.60000113M210 K267S206-M210 WeakPolarHBondContact O-CB 3.29Å; S206-M210 WeakPolarHBondContact O-CG 3.32Å; S206-M210 PolarHBondContact O-N 3.42Å; S206-K267 PolarHBondContact OG-NZ 3.28Å
207L72.6Confident65.6Low148 Ų14866.4 Ų66.478%0.77535%0.349SS*.Hα-helixtrans-73.9-38.6174.9-73.9168.3000112.7P205 M210 L211P205-L207 PolarHBondContact O-N 2.9Å; L207-M210 PolarHBondContact O-N 2.83Å; L207-L211 WeakPolarHBondContact O-CB 3.36Å; L207-L211 PolarHBondContact O-N 3.5Å
208S79.6Confident68.4Low19 Ų1967 Ų6713%0.13335%0.351CS..Hα-helixtrans-65.8-47.317769.70000110.9F64 S67 P205 M210 L211 G212F64-S208 WeakPolarHBondContact CB-O 3.48Å; S67-S208 PolarHBondContact O-OG 3Å; S67-S208 WeakPolarHBondContact OG-CB 3.46Å; S67-S208 PolarHBondContact OG-OG 3.31Å; P205-S208 WeakPolarHBondContact CB-OG 3.14Å; P205-S208 WeakPolarHBondContact CG-OG 3.42Å; P205-S208 PolarHBondContact O-N 3.49Å; P205-S208 PolarHBondContact O-OG 3.24Å; S208-M210 VanDerWaalsContact C-N 3.32Å; S208-M210 PolarHBondContact O-N 2.83Å; S208-L211 VanDerWaalsContact O-CB 3.29Å; S208-L211 WeakPolarHBondContact O-CB 3.16Å; S208-L211 PolarHBondContact O-N 3.38Å; S208-L211 VanDerWaalsContact O-N 3.08Å; S208-G212 PolarHBondContact O-N 3.09Å
209A80.3Confident71.2Confident4 Ų460 Ų603%0.03332%0.32CS..Hα-helixtrans-61.8-38.2175.600000113F64 P205 G212 A213 H271F64-A209 VanDerWaalsContact O-CA 3.27Å; F64-A209 WeakPolarHBondContact O-CA 3.39Å; P205-A209 PolarHBondContact O-N 2.95Å; A209-G212 PolarHBondContact O-N 3.31Å; A209-A213 PolarHBondContact O-N 2.79Å; A209-H271 PolarHBondContact O-CD2 2.94Å; A209-H271 PolarHBondContact O-NE2 3.34Å; A209-H271 VanDerWaalsContact O-NE2 3.16Å
210M84Confident73.9Confident57 Ų5755.1 Ų55.128%0.28129%0.294SS..Hα-helixtrans-70.3-33.3173.5-76.2-57.9-57.500112.8S206 L207 S208 G212 A213 L214 V270S206-M210 WeakPolarHBondContact O-CB 3.29Å; S206-M210 WeakPolarHBondContact O-CG 3.32Å; S206-M210 PolarHBondContact O-N 3.42Å; L207-M210 PolarHBondContact O-N 2.83Å; S208-M210 VanDerWaalsContact C-N 3.32Å; S208-M210 PolarHBondContact O-N 2.83Å; M210-G212 VanDerWaalsContact C-N 3.33Å; M210-A213 PolarHBondContact O-N 2.92Å; M210-L214 VanDerWaalsContact O-CG 3.29Å; M210-L214 WeakPolarHBondContact O-CG 3.12Å; M210-L214 PolarHBondContact O-N 3.31Å; M210-V270 HydrophobicContact CE-CG1 4.31Å; M210-V270 HydrophobicContact SD-CG1 4.38Å
211L87.7Confident76.5Confident73 Ų7349.8 Ų49.838%0.38227%0.269SS..Hα-helixtrans-59.7-48.1172.6-173.366.9000109.9L207 S208 A213 L214 F215L207-L211 WeakPolarHBondContact O-CB 3.36Å; L207-L211 PolarHBondContact O-N 3.5Å; S208-L211 VanDerWaalsContact O-CB 3.29Å; S208-L211 WeakPolarHBondContact O-CB 3.16Å; S208-L211 PolarHBondContact O-N 3.38Å; S208-L211 VanDerWaalsContact O-N 3.08Å; L211-A213 PolarHBondContact O-N 2.6Å; L211-L214 PolarHBondContact O-N 3.09Å; L211-F215 HydrophobicContact CD1-CD2 4.13Å; L211-F215 HydrophobicContact CD1-CE2 3.75Å; L211-F215 HydrophobicContact CG-CD2 4.07Å; L211-F215 HydrophobicContact CG-CE2 3.98Å; L211-F215 VanDerWaalsContact O-CD2 3.32Å; L211-F215 WeakPolarHBondContact O-CD2 3.34Å; L211-F215 PolarHBondContact O-N 2.87Å; L211-F215 VanDerWaalsContact O-N 3.07Å
212G88.4Confident79.2Confident0 Ų046.2 Ų46.20%025%0.249CC..Hα-helixtrans-54.7-49.7172.900000112.3G61 S208 A209 M210 L214 F215 L216G61-G212 WeakPolarHBondContact CA-O 3.33Å; G61-G212 CarbonylContact O-C 3.41Å; G61-G212 VanDerWaalsContact O-CA 3.22Å; G61-G212 WeakPolarHBondContact O-CA 3.46Å; S208-G212 PolarHBondContact O-N 3.09Å; A209-G212 PolarHBondContact O-N 3.31Å; M210-G212 VanDerWaalsContact C-N 3.33Å; G212-L214 VanDerWaalsContact C-N 3.32Å; G212-L214 PolarHBondContact O-N 3.49Å; G212-F215 PolarHBondContact O-N 2.92Å; G212-L216 WeakPolarHBondContact O-CG 3.32Å; G212-L216 PolarHBondContact O-N 3.04Å
213A88.9Confident81.8Confident1 Ų145.3 Ų45.31%0.00824%0.239CC..Hα-helixtrans-59.8-37.7177.600000113.4L65 A209 M210 L211 L216 W217 L275L65-A213 HydrophobicContact CD1-CB 3.89Å; A209-A213 PolarHBondContact O-N 2.79Å; M210-A213 PolarHBondContact O-N 2.92Å; L211-A213 PolarHBondContact O-N 2.6Å; A213-L216 PolarHBondContact O-N 2.85Å; A213-W217 VanDerWaalsContact O-CB 3.31Å; A213-W217 WeakPolarHBondContact O-CB 3.41Å; A213-W217 PolarHBondContact O-N 3.41Å; A213-L275 HydrophobicContact CB-CD1 4.35Å; A213-L275 WeakPolarHBondContact O-CD2 3.39Å
214L91Very high83.9Confident92 Ų9241.6 Ų41.648%0.48222%0.216SC..Hα-helixtrans-65.4-45176.4-73.1169.5000111.8M210 L211 G212 L216 W217 M218M210-L214 VanDerWaalsContact O-CG 3.29Å; M210-L214 WeakPolarHBondContact O-CG 3.12Å; M210-L214 PolarHBondContact O-N 3.31Å; L211-L214 PolarHBondContact O-N 3.09Å; G212-L214 VanDerWaalsContact C-N 3.32Å; G212-L214 PolarHBondContact O-N 3.49Å; L214-L216 VanDerWaalsContact C-N 3.35Å; L214-W217 PolarHBondContact O-N 3.46Å; L214-M218 VanDerWaalsContact O-CG 3.32Å; L214-M218 WeakPolarHBondContact O-CG 3.4Å; L214-M218 PolarHBondContact O-N 3.36Å
215F92.7Very high86Confident51 Ų5137.2 Ų37.222%0.22419%0.194CC..Hα-helixtrans-61.9-43.5176.1-86.2-80.1000111.6V56 I60 L211 G212 W217 M218 F219V56-F215 HydrophobicContact CG1-CD1 3.45Å; V56-F215 VanDerWaalsContact CG1-CD1 3.45Å; V56-F215 HydrophobicContact CG1-CE1 3.84Å; V56-F215 HydrophobicContact CG1-CG 4.45Å; I60-F215 HydrophobicContact CB-CG 4.45Å; I60-F215 HydrophobicContact CG2-CB 4.41Å; I60-F215 HydrophobicContact CG2-CD1 4.32Å; I60-F215 HydrophobicContact CG2-CD2 3.5Å; I60-F215 VanDerWaalsContact CG2-CD2 3.5Å; I60-F215 HydrophobicContact CG2-CE2 3.76Å; I60-F215 HydrophobicContact CG2-CG 3.82Å; I60-F215 HydrophobicContact CG2-CZ 4.29Å; L211-F215 HydrophobicContact CD1-CD2 4.13Å; L211-F215 HydrophobicContact CD1-CE2 3.75Å; L211-F215 HydrophobicContact CG-CD2 4.07Å; L211-F215 HydrophobicContact CG-CE2 3.98Å; L211-F215 VanDerWaalsContact O-CD2 3.32Å; L211-F215 WeakPolarHBondContact O-CD2 3.34Å; L211-F215 PolarHBondContact O-N 2.87Å; L211-F215 VanDerWaalsContact O-N 3.07Å; G212-F215 PolarHBondContact O-N 2.92Å; F215-W217 PolarHBondContact O-N 3.36Å; F215-M218 HydrophobicContact CD1-CE 3.84Å; F215-M218 HydrophobicContact CE1-CE 4.1Å; F215-M218 HydrophobicContact CG-CE 4.09Å; F215-M218 PolarHBondContact O-N 2.84Å; F215-F219 HydrophobicContact CD1-CD2 4.17Å; F215-F219 AromaticContact CD1-CE2 3.76Å; F215-F219 HydrophobicContact CD1-CE2 3.76Å; F215-F219 HydrophobicContact CE1-CE2 4.23Å; F215-F219 VanDerWaalsContact O-CD2 3.25Å; F215-F219 WeakPolarHBondContact O-CD2 3.36Å; F215-F219 PolarHBondContact O-N 3.5Å; F215-F219 VanDerWaalsContact O-N 3.16Å
216L91.8Very high87.7Confident1 Ų135.7 Ų35.71%0.00518%0.184CC..Hα-helixtrans-59.3-48.2173.7-66.5177000111.5M57 L62 L65 G212 A213 L214 M218 F219 W220 L275M57-L216 HydrophobicContact CB-CD2 4.47Å; M57-L216 HydrophobicContact CE-CD2 4.46Å; M57-L216 HydrophobicContact CG-CD2 3.28Å; M57-L216 HydrophobicContact CG-CG 4.49Å; M57-L216 WeakPolarHBondContact O-CD2 3.47Å; M57-L216 HydrophobicContact SD-CD2 4.2Å; L62-L216 HydrophobicContact CD2-CD1 3.91Å; L62-L216 HydrophobicContact CD2-CD2 4.03Å; L62-L216 HydrophobicContact CG-CD2 4.05Å; L65-L216 HydrophobicContact CB-CD1 4.1Å; L65-L216 HydrophobicContact CD1-CD1 3.89Å; L65-L216 HydrophobicContact CD2-CD1 3.69Å; L65-L216 HydrophobicContact CG-CD1 4.1Å; G212-L216 WeakPolarHBondContact O-CG 3.32Å; G212-L216 PolarHBondContact O-N 3.04Å; A213-L216 PolarHBondContact O-N 2.85Å; L214-L216 VanDerWaalsContact C-N 3.35Å; L216-M218 PolarHBondContact O-N 3.41Å; L216-F219 PolarHBondContact O-N 3.34Å; L216-W220 HydrophobicContact CB-CE3 3.88Å; L216-W220 HydrophobicContact CB-CZ3 3.79Å; L216-W220 HydrophobicContact CD1-CZ3 4.35Å; L216-W220 HydrophobicContact CG-CZ3 4.48Å; L216-W220 WeakPolarHBondContact O-CB 3.33Å; L216-W220 PolarHBondContact O-N 3.08Å; L216-L275 HydrophobicContact CB-CD1 4.13Å; L216-L275 HydrophobicContact CB-CD2 3.8Å; L216-L275 HydrophobicContact CD1-CD1 3.62Å
217W93.9Very high88.8Confident58 Ų5835.4 Ų35.422%0.2218%0.18CC..Hα-helixtrans-59.7-43.5-179.4-174.293.2000112.6A213 L214 F215 Y242 V245 A246 L275A213-W217 VanDerWaalsContact O-CB 3.31Å; A213-W217 WeakPolarHBondContact O-CB 3.41Å; A213-W217 PolarHBondContact O-N 3.41Å; L214-W217 PolarHBondContact O-N 3.46Å; F215-W217 PolarHBondContact O-N 3.36Å; W217-Y242 HydrophobicContact CH2-CE2 4.05Å; W217-V245 HydrophobicContact CD2-CG2 4.38Å; W217-V245 HydrophobicContact CZ2-CG2 4.08Å; W217-V245 PolarHBondContact NE1-O 3.04Å; W217-A246 HydrophobicContact CZ2-CB 4.35Å; W217-L275 HydrophobicContact CB-CD2 3.98Å
218M94.7Very high89.5Confident94 Ų9429.3 Ų29.346%0.46315%0.149SC..Hα-helixtrans-65.2-40.2180-72.1-175.2-61.400112.7L214 F215 L216L214-M218 VanDerWaalsContact O-CG 3.32Å; L214-M218 WeakPolarHBondContact O-CG 3.4Å; L214-M218 PolarHBondContact O-N 3.36Å; F215-M218 HydrophobicContact CD1-CE 3.84Å; F215-M218 HydrophobicContact CE1-CE 4.1Å; F215-M218 HydrophobicContact CG-CE 4.09Å; F215-M218 PolarHBondContact O-N 2.84Å; L216-M218 PolarHBondContact O-N 3.41Å
219F94.6Very high89.6Confident48 Ų4835 Ų3521%0.21117%0.167CC..Hα-helixtrans-99.8-2.9-172.3-66.4-66.2000114.3D53 V56 M57 F215 L216 P221 S222 F223D53-F219 HydrophobicContact CB-CB 4.43Å; D53-F219 HydrophobicContact CB-CD1 3.59Å; D53-F219 HydrophobicContact CB-CE1 4.19Å; D53-F219 HydrophobicContact CB-CG 4.27Å; D53-F219 VanDerWaalsContact CG-CD1 3.41Å; D53-F219 WeakPolarHBondContact OD1-CD1 3.32Å; D53-F219 WeakPolarHBondContact OD1-CE1 3.36Å; V56-F219 HydrophobicContact CB-CD2 4.47Å; V56-F219 HydrophobicContact CB-CE2 4.36Å; V56-F219 HydrophobicContact CG1-CD2 3.83Å; V56-F219 HydrophobicContact CG1-CE2 3.56Å; V56-F219 HydrophobicContact CG1-CZ 4.33Å; M57-F219 HydrophobicContact CB-CB 4.27Å; M57-F219 HydrophobicContact CG-CB 4.43Å; F215-F219 HydrophobicContact CD1-CD2 4.17Å; F215-F219 AromaticContact CD1-CE2 3.76Å; F215-F219 HydrophobicContact CD1-CE2 3.76Å; F215-F219 HydrophobicContact CE1-CE2 4.23Å; F215-F219 VanDerWaalsContact O-CD2 3.25Å; F215-F219 WeakPolarHBondContact O-CD2 3.36Å; F215-F219 PolarHBondContact O-N 3.5Å; F215-F219 VanDerWaalsContact O-N 3.16Å; L216-F219 PolarHBondContact O-N 3.34Å; F219-P221 VanDerWaalsContact C-CD 3.47Å; F219-S222 WeakPolarHBondContact O-CB 3.39Å; F219-S222 PolarHBondContact O-N 3.32Å; F219-F223 PolarHBondContact O-N 2.94Å; F219-F223 VanDerWaalsContact O-N 3.07Å
220W93.1Very high89.8Confident5 Ų536.6 Ų36.62%0.01918%0.178CC..Hα-helixtrans-55.1-41.2177.2-140.4-64.7000114.3Y173 L216 S222 F223 N224 T241 V245 L275 G278 V279 F332Y173-W220 HydrophobicContact CE1-CZ2 4.04Å; Y173-W220 WeakPolarHBondContact OH-CZ2 3.22Å; Y173-W220 PolarHBondContact OH-NE1 3.43Å; L216-W220 HydrophobicContact CB-CE3 3.88Å; L216-W220 HydrophobicContact CB-CZ3 3.79Å; L216-W220 HydrophobicContact CD1-CZ3 4.35Å; L216-W220 HydrophobicContact CG-CZ3 4.48Å; L216-W220 WeakPolarHBondContact O-CB 3.33Å; L216-W220 PolarHBondContact O-N 3.08Å; W220-S222 VanDerWaalsContact C-N 3.29Å; W220-S222 PolarHBondContact O-N 2.84Å; W220-F223 WeakPolarHBondContact O-CB 3.25Å; W220-F223 PolarHBondContact O-N 3.15Å; W220-F223 VanDerWaalsContact O-N 3.13Å; W220-N224 PolarHBondContact O-N 2.91Å; W220-T241 HydrophobicContact CB-CG2 4.19Å; W220-T241 HydrophobicContact CG-CG2 4.35Å; W220-V245 HydrophobicContact CB-CG1 4.36Å; W220-V245 HydrophobicContact CG-CG1 4.44Å; W220-L275 HydrophobicContact CE3-CB 4.35Å; W220-L275 HydrophobicContact CE3-CD2 3.85Å; W220-L275 HydrophobicContact CH2-CB 4.05Å; W220-L275 HydrophobicContact CZ3-CB 3.66Å; W220-L275 HydrophobicContact CZ3-CD1 3.95Å; W220-L275 HydrophobicContact CZ3-CD2 3.7Å; W220-L275 HydrophobicContact CZ3-CG 3.94Å; W220-G278 PolarHBondContact NE1-O 2.85Å; W220-V279 HydrophobicContact CH2-CG2 3.72Å; W220-V279 HydrophobicContact CZ2-CB 4.34Å; W220-V279 HydrophobicContact CZ2-CG2 3.37Å; W220-F332 HydrophobicContact CH2-CE1 4.07Å; W220-F332 HydrophobicContact CH2-CZ 4.11Å
221P93.9Very high90Very high10 Ų1038.3 Ų38.37%0.06519%0.193CC..Hα-helixtrans-60.3-36.8175.4-24.935.8000113.3F219 S225 V238 T241F219-P221 VanDerWaalsContact C-CD 3.47Å; P221-S225 VanDerWaalsContact O-CB 3.3Å; P221-S225 WeakPolarHBondContact O-CB 3.5Å; P221-S225 PolarHBondContact O-N 3.11Å; P221-S225 PolarHBondContact O-OG 2.91Å; P221-V238 HydrophobicContact CB-CB 4.48Å; P221-V238 HydrophobicContact CB-CG1 4.09Å; P221-T241 HydrophobicContact CB-CG2 4.34Å; P221-T241 HydrophobicContact CG-CG2 4.13Å
222S92.1Very high90Very high25 Ų2540.2 Ų40.218%0.17520%0.203CC..Hα-helixtrans-67.4-39.9174.1-61.50000110.9D53 F219 W220 S225 A226D53-S222 VanDerWaalsContact OD2-CB 3.26Å; D53-S222 WeakPolarHBondContact OD2-CB 3.47Å; D53-S222 PolarHBondContact OD2-OG 2.79Å; F219-S222 WeakPolarHBondContact O-CB 3.39Å; F219-S222 PolarHBondContact O-N 3.32Å; W220-S222 VanDerWaalsContact C-N 3.29Å; W220-S222 PolarHBondContact O-N 2.84Å; S222-S225 PolarHBondContact O-N 3.02Å; S222-S225 PolarHBondContact O-OG 3.44Å; S222-A226 WeakPolarHBondContact O-CA 3.44Å; S222-A226 VanDerWaalsContact O-CB 3.3Å; S222-A226 WeakPolarHBondContact O-CB 3.15Å; S222-A226 PolarHBondContact O-N 3.13Å
223F90.3Very high90.1Very high11 Ų1143.4 Ų43.45%0.04822%0.218CC..Hα-helixtrans-59.7-55.7176.1-178.1-87.2000112.4L54 M57 M118 L121 Y173 F219 W220 S225 A226L54-F223 HydrophobicContact CD2-CB 4.07Å; L54-F223 HydrophobicContact CD2-CD2 3.65Å; L54-F223 HydrophobicContact CD2-CG 4.25Å; M57-F223 HydrophobicContact CE-CB 3.86Å; M57-F223 HydrophobicContact CE-CD1 4.42Å; M57-F223 HydrophobicContact CE-CD2 3.04Å; M57-F223 HydrophobicContact CE-CE2 3.56Å; M57-F223 HydrophobicContact CE-CG 3.53Å; M57-F223 HydrophobicContact CE-CZ 4.47Å; M57-F223 HydrophobicContact SD-CB 3.71Å; M57-F223 HydrophobicContact SD-CD2 4.05Å; M57-F223 HydrophobicContact SD-CG 4.08Å; M118-F223 HydrophobicContact CE-CB 4.43Å; M118-F223 HydrophobicContact CE-CD1 4.34Å; M118-F223 HydrophobicContact CE-CD2 3.52Å; M118-F223 HydrophobicContact CE-CE2 3.83Å; M118-F223 HydrophobicContact CE-CG 3.85Å; M118-F223 HydrophobicContact CE-CZ 4.31Å; M118-F223 WeakPolarHBondContact CE-O 3.47Å; M118-F223 HydrophobicContact SD-CD2 3.36Å; M118-F223 WeakPolarHBondContact SD-CD2 3.37Å; M118-F223 HydrophobicContact SD-CE1 4.31Å; M118-F223 HydrophobicContact SD-CE2 3.05Å; M118-F223 WeakPolarHBondContact SD-CE2 3.21Å; M118-F223 HydrophobicContact SD-CG 4.19Å; M118-F223 HydrophobicContact SD-CZ 3.58Å; M118-F223 VanDerWaalsContact SD-CZ 3.58Å; L121-F223 HydrophobicContact CB-CE2 4.27Å; L121-F223 HydrophobicContact CD1-CD2 3.97Å; L121-F223 HydrophobicContact CD1-CE2 3.69Å; L121-F223 HydrophobicContact CG-CE2 4.45Å; Y173-F223 HydrophobicContact CE1-CE1 4.1Å; Y173-F223 HydrophobicContact CE1-CZ 4.45Å; Y173-F223 HydrophobicContact CE2-CE1 4.09Å; Y173-F223 AromaticContact CZ-CE1 3.47Å; Y173-F223 VanDerWaalsContact CZ-CE1 3.47Å; Y173-F223 WeakPolarHBondContact OH-CD1 3.35Å; Y173-F223 WeakPolarHBondContact OH-CE1 3.4Å; F219-F223 PolarHBondContact O-N 2.94Å; F219-F223 VanDerWaalsContact O-N 3.07Å; W220-F223 WeakPolarHBondContact O-CB 3.25Å; W220-F223 PolarHBondContact O-N 3.15Å; W220-F223 VanDerWaalsContact O-N 3.13Å; F223-S225 PolarHBondContact O-N 3.43Å; F223-S225 VanDerWaalsContact O-N 3.1Å; F223-A226 PolarHBondContact O-N 2.99Å
224N91.7Very high90.2Very high16 Ų1648.1 Ų48.19%0.08624%0.235CC..Hα-helixtrans-64.9-19.1-177.4-76.1-7000113.4Y173 W220 T241 G278Y173-N224 PolarHBondContact OH-OD1 2.83Å; W220-N224 PolarHBondContact O-N 2.91Å; N224-T241 HydrophobicContact CB-CG2 4.34Å; N224-T241 WeakPolarHBondContact CB-OG1 3.38Å; N224-T241 VanDerWaalsContact ND2-CG2 3.27Å; N224-T241 WeakPolarHBondContact ND2-CG2 3.37Å; N224-T241 PolarHBondContact ND2-OG1 2.73Å; N224-G278 PolarHBondContact ND2-O 3.46Å
225S90.4Very high90.2Very high5 Ų548.9 Ų48.94%0.03524%0.235CC..Hα-helixtrans-105.8-8.1-177.2700000114.4P221 S222 F223 L227 L228 V238P221-S225 VanDerWaalsContact O-CB 3.3Å; P221-S225 WeakPolarHBondContact O-CB 3.5Å; P221-S225 PolarHBondContact O-N 3.11Å; P221-S225 PolarHBondContact O-OG 2.91Å; S222-S225 PolarHBondContact O-N 3.02Å; S222-S225 PolarHBondContact O-OG 3.44Å; F223-S225 PolarHBondContact O-N 3.43Å; F223-S225 VanDerWaalsContact O-N 3.1Å; S225-L227 VanDerWaalsContact C-N 3.3Å; S225-L227 PolarHBondContact O-N 3.49Å; S225-L228 PolarHBondContact O-N 2.92Å; S225-V238 WeakPolarHBondContact OG-CG2 3.41Å
226A88Confident90.3Very high5 Ų548.6 Ų48.64%0.04124%0.236CC..THydrogen-bonded Turntrans-62.6-31.2-167.500000115V50 L54 M118 S222 F223V50-A226 HydrophobicContact CG1-CB 3.52Å; L54-A226 HydrophobicContact CD1-CB 4.04Å; L54-A226 HydrophobicContact CD2-CB 4.32Å; M118-A226 HydrophobicContact CE-CB 3.52Å; S222-A226 WeakPolarHBondContact O-CA 3.44Å; S222-A226 VanDerWaalsContact O-CB 3.3Å; S222-A226 WeakPolarHBondContact O-CB 3.15Å; S222-A226 PolarHBondContact O-N 3.13Å; F223-A226 PolarHBondContact O-N 2.99Å
227L85.9Confident90.4Very high20 Ų2048.6 Ų48.611%0.10524%0.235CC..THydrogen-bonded Turntrans-99.1-5.9-176-59.9178.1000113F111 L115 M118 M169 S225 R229F111-L227 HydrophobicContact CE2-CD2 4.09Å; F111-L227 HydrophobicContact CZ-CD2 4.07Å; L115-L227 HydrophobicContact CB-CD2 4.46Å; L115-L227 HydrophobicContact CD1-CD1 4.07Å; L115-L227 HydrophobicContact CD1-CD2 4.11Å; M118-L227 HydrophobicContact CG-CD1 4.23Å; M118-L227 HydrophobicContact CG-CG 4.49Å; M169-L227 HydrophobicContact CB-CD1 3.53Å; M169-L227 HydrophobicContact CG-CD1 3.54Å; S225-L227 VanDerWaalsContact C-N 3.3Å; S225-L227 PolarHBondContact O-N 3.49Å; L227-R229 PolarHBondContact O-N 3.02Å
228L85.9Confident90.4Very high20 Ų2048.2 Ų48.211%0.10524%0.239CC..  trans-75.4125.6179.5-64.6172.8000111M167 S225 E233 R234 A237 H286M167-L228 HydrophobicContact CE-CD2 4.08Å; S225-L228 PolarHBondContact O-N 2.92Å; L228-E233 HydrophobicContact CD1-CB 4.38Å; L228-R234 HydrophobicContact CB-CB 4.14Å; L228-R234 HydrophobicContact CB-CG 4.5Å; L228-A237 HydrophobicContact CD1-CB 3.38Å; L228-H286 HydrophobicContact CD1-CB 3.77Å; L228-H286 HydrophobicContact CD2-CB 4.28Å
229R82.4Confident90.5Very high139 Ų13948.5 Ų48.553%0.52524%0.238SC..  trans-84.3-38.9-179.4-64.9-178.3-179.7168.63.5112.7D164 H166 L227 P231D164-R229 IonicContact OD1-CZ 2.98Å; D164-R229 IonicContact OD1-NH1 2.67Å; D164-R229 IonicContact OD1-NH2 3.22Å; D164-R229 PolarHBondContact OD1-NH2 2.97Å; D164-R229 VanDerWaalsContact OD1-NH2 3.13Å; D164-R229 IonicContact OD2-CZ 3.73Å; D164-R229 IonicContact OD2-NE 3.74Å; D164-R229 IonicContact OD2-NH1 3.76Å; D164-R229 PolarHBondContact OD2-NH1 3.4Å; D164-R229 IonicContact OD2-NH2 3.13Å; D164-R229 PolarHBondContact OD2-NH2 3.39Å; H166-R229 PolarHBondContact CD2-NH2 2.85Å; H166-R229 VanDerWaalsContact CD2-NH2 3.33Å; L227-R229 PolarHBondContact O-N 3.02Å; R229-P231 WeakPolarHBondContact O-CD 3.27Å
230S85.4Confident90.6Very high38 Ų3846.5 Ų46.527%0.26623%0.23SC..SBendtrans-69.1123.9-179.81690000110.3I232 E233 R234S230-I232 PolarHBondContact O-N 3.29Å; S230-E233 VanDerWaalsContact CB-CD 3.45Å; S230-E233 WeakPolarHBondContact CB-OE2 3.42Å; S230-E233 PolarHBondContact O-N 3.03Å; S230-E233 PolarHBondContact OG-N 3.17Å; S230-R234 VanDerWaalsContact O-CB 3.3Å; S230-R234 WeakPolarHBondContact O-CB 3.45Å; S230-R234 PolarHBondContact O-N 2.91Å
231P86.8Confident90.8Very high92 Ų9246.3 Ų46.360%0.59723%0.229SC*.Hα-helixtrans-59.1-32.6178.6-25.834.5000113.4R229 K235R229-P231 WeakPolarHBondContact O-CD 3.27Å; P231-K235 VanDerWaalsContact O-CB 3.32Å; P231-K235 WeakPolarHBondContact O-CB 3.44Å; P231-K235 PolarHBondContact O-N 3.36Å
232I89.2Confident90.9Very high113 Ų11351.5 Ų51.558%0.57925%0.248SC*.Hα-helixtrans-73.1-48.6-179.4-62.9168.6000110S230 R234 K235 N236S230-I232 PolarHBondContact O-N 3.29Å; I232-R234 VanDerWaalsContact C-N 3.31Å; I232-R234 PolarHBondContact O-N 3.37Å; I232-K235 PolarHBondContact O-N 3.13Å; I232-N236 WeakPolarHBondContact O-CB 3.16Å; I232-N236 VanDerWaalsContact O-CG 3.23Å; I232-N236 PolarHBondContact O-N 2.87Å; I232-N236 PolarHBondContact O-OD1 3.11Å
233E90Very high91.2Very high67 Ų6754.8 Ų54.831%0.31326%0.257SS..Hα-helixtrans-59.7-44175.5-73.3166.8-156.100111.1L228 S230 K235 N236 A237 H286L228-E233 HydrophobicContact CD1-CB 4.38Å; S230-E233 VanDerWaalsContact CB-CD 3.45Å; S230-E233 WeakPolarHBondContact CB-OE2 3.42Å; S230-E233 PolarHBondContact O-N 3.03Å; S230-E233 PolarHBondContact OG-N 3.17Å; E233-K235 PolarHBondContact O-N 3.22Å; E233-N236 PolarHBondContact O-N 3.46Å; E233-A237 VanDerWaalsContact O-CB 3.3Å; E233-A237 WeakPolarHBondContact O-CB 3.4Å; E233-A237 PolarHBondContact O-N 3.48Å; E233-H286 HydrophobicContact CB-CB 3.99Å; E233-H286 HydrophobicContact CG-CB 4.38Å
234R89.8Confident91.5Very high101 Ų10154.2 Ų54.238%0.38126%0.255SS..Hα-helixtrans-59.7-45.9177.1-166.9176.365.7-172.20.4111.6L228 S230 I232 A237 V238L228-R234 HydrophobicContact CB-CB 4.14Å; L228-R234 HydrophobicContact CB-CG 4.5Å; S230-R234 VanDerWaalsContact O-CB 3.3Å; S230-R234 WeakPolarHBondContact O-CB 3.45Å; S230-R234 PolarHBondContact O-N 2.91Å; I232-R234 VanDerWaalsContact C-N 3.31Å; I232-R234 PolarHBondContact O-N 3.37Å; R234-A237 PolarHBondContact O-N 3.23Å; R234-V238 WeakPolarHBondContact O-CG2 3.4Å; R234-V238 PolarHBondContact O-N 3.02Å; R234-V238 VanDerWaalsContact O-N 3.08Å
235K92.8Very high91.7Very high107 Ų10753.5 Ų53.547%0.46525%0.251SS..Hα-helixtrans-60.9-46.3175.7-176.8-159.964.3151.70111.3P231 I232 E233 V238 F239P231-K235 VanDerWaalsContact O-CB 3.32Å; P231-K235 WeakPolarHBondContact O-CB 3.44Å; P231-K235 PolarHBondContact O-N 3.36Å; I232-K235 PolarHBondContact O-N 3.13Å; E233-K235 PolarHBondContact O-N 3.22Å; K235-V238 PolarHBondContact O-N 3.38Å; K235-F239 HydrophobicContact CD-CE2 3.77Å; K235-F239 HydrophobicContact CD-CZ 4.23Å; K235-F239 HydrophobicContact CG-CD2 4.15Å; K235-F239 HydrophobicContact CG-CE2 3.6Å; K235-F239 HydrophobicContact CG-CZ 3.87Å; K235-F239 WeakPolarHBondContact O-CG 3.46Å; K235-F239 PolarHBondContact O-N 2.71Å; K235-F239 VanDerWaalsContact O-N 3.12Å
236N93.4Very high92.1Very high46 Ų4654.8 Ų54.825%0.24626%0.262CS..Hα-helixtrans-63.8-43.3179.6-68.1-6000111.2I232 E233 V238 F239 N240I232-N236 WeakPolarHBondContact O-CB 3.16Å; I232-N236 VanDerWaalsContact O-CG 3.23Å; I232-N236 PolarHBondContact O-N 2.87Å; I232-N236 PolarHBondContact O-OD1 3.11Å; E233-N236 PolarHBondContact O-N 3.46Å; N236-V238 VanDerWaalsContact C-N 3.32Å; N236-V238 PolarHBondContact O-N 3.31Å; N236-F239 PolarHBondContact O-N 3.06Å; N236-N240 VanDerWaalsContact O-CB 3.31Å; N236-N240 WeakPolarHBondContact O-CB 3.29Å; N236-N240 VanDerWaalsContact O-CG 3.3Å; N236-N240 PolarHBondContact O-N 3.06Å; N236-N240 PolarHBondContact O-ND2 3.26Å; N236-N240 VanDerWaalsContact O-ND2 3.16Å
237A93.8Very high92.5Very high0 Ų055.9 Ų55.90%027%0.268CS..Hα-helixtrans-57.7-43175.700000112.4L228 E233 R234 T241 C285 H286L228-A237 HydrophobicContact CD1-CB 3.38Å; E233-A237 VanDerWaalsContact O-CB 3.3Å; E233-A237 WeakPolarHBondContact O-CB 3.4Å; E233-A237 PolarHBondContact O-N 3.48Å; R234-A237 PolarHBondContact O-N 3.23Å; A237-T241 WeakPolarHBondContact O-CB 3.38Å; A237-T241 PolarHBondContact O-N 3.37Å; A237-T241 PolarHBondContact O-OG1 3.01Å; A237-C285 WeakPolarHBondContact CA-O 3.18Å; A237-C285 HydrophobicContact CB-CB 4.17Å; A237-C285 VanDerWaalsContact CB-SG 3.52Å; A237-H286 HydrophobicContact CB-CB 4.32Å
238V95.2Very high93Very high50 Ų5054.9 Ų54.930%0.30326%0.263SS..Hα-helixtrans-60.9-51.5175.3170.10000111P221 S225 R234 K235 N236 Y242P221-V238 HydrophobicContact CB-CB 4.48Å; P221-V238 HydrophobicContact CB-CG1 4.09Å; S225-V238 WeakPolarHBondContact OG-CG2 3.41Å; R234-V238 WeakPolarHBondContact O-CG2 3.4Å; R234-V238 PolarHBondContact O-N 3.02Å; R234-V238 VanDerWaalsContact O-N 3.08Å; K235-V238 PolarHBondContact O-N 3.38Å; N236-V238 VanDerWaalsContact C-N 3.32Å; N236-V238 PolarHBondContact O-N 3.31Å; V238-Y242 WeakPolarHBondContact O-CB 3.37Å; V238-Y242 PolarHBondContact O-N 3.28Å
239F96Very high93.4Very high100 Ų10055.7 Ų55.744%0.43927%0.269SS..Hα-helixtrans-63.6-50.1-178.3-66.2-22.5000112.4K235 N236 T241 Y242 Y243K235-F239 HydrophobicContact CD-CE2 3.77Å; K235-F239 HydrophobicContact CD-CZ 4.23Å; K235-F239 HydrophobicContact CG-CD2 4.15Å; K235-F239 HydrophobicContact CG-CE2 3.6Å; K235-F239 HydrophobicContact CG-CZ 3.87Å; K235-F239 WeakPolarHBondContact O-CG 3.46Å; K235-F239 PolarHBondContact O-N 2.71Å; K235-F239 VanDerWaalsContact O-N 3.12Å; N236-F239 PolarHBondContact O-N 3.06Å; F239-T241 VanDerWaalsContact C-N 3.32Å; F239-T241 PolarHBondContact O-N 3.25Å; F239-Y242 PolarHBondContact O-N 3.43Å; F239-Y243 HydrophobicContact CB-CD2 4.46Å; F239-Y243 HydrophobicContact CB-CE2 4.24Å; F239-Y243 WeakPolarHBondContact O-CD2 3.44Å; F239-Y243 PolarHBondContact O-N 3.5Å
240N96.8Very high94.1Very high7 Ų753.4 Ų53.44%0.03727%0.27CS..Hα-helixtrans-62.8-41.3-178.7-70-33.5000111.1N236 A244 C285 I288 A294N236-N240 VanDerWaalsContact O-CB 3.31Å; N236-N240 WeakPolarHBondContact O-CB 3.29Å; N236-N240 VanDerWaalsContact O-CG 3.3Å; N236-N240 PolarHBondContact O-N 3.06Å; N236-N240 PolarHBondContact O-ND2 3.26Å; N236-N240 VanDerWaalsContact O-ND2 3.16Å; N240-A244 WeakPolarHBondContact O-CB 3.31Å; N240-A244 PolarHBondContact O-N 3.06Å; N240-C285 WeakPolarHBondContact CB-O 3.13Å; N240-C285 PolarHBondContact ND2-O 3.13Å; N240-I288 HydrophobicContact CB-CB 4.45Å; N240-I288 HydrophobicContact CB-CD1 4.48Å; N240-I288 WeakPolarHBondContact ND2-CB 3.33Å; N240-I288 PolarHBondContact ND2-O 3.33Å; N240-A294 HydrophobicContact CB-CB 3.85Å; N240-A294 WeakPolarHBondContact O-CB 3.47Å
241T96.4Very high94.5Very high0 Ų052 Ų520%026%0.26CS..Hα-helixtrans-62.6-46.7175.1-57.30000111.3W220 P221 N224 A237 F239 Y243 A244 V245 V281W220-T241 HydrophobicContact CB-CG2 4.19Å; W220-T241 HydrophobicContact CG-CG2 4.35Å; P221-T241 HydrophobicContact CB-CG2 4.34Å; P221-T241 HydrophobicContact CG-CG2 4.13Å; N224-T241 HydrophobicContact CB-CG2 4.34Å; N224-T241 WeakPolarHBondContact CB-OG1 3.38Å; N224-T241 VanDerWaalsContact ND2-CG2 3.27Å; N224-T241 WeakPolarHBondContact ND2-CG2 3.37Å; N224-T241 PolarHBondContact ND2-OG1 2.73Å; A237-T241 WeakPolarHBondContact O-CB 3.38Å; A237-T241 PolarHBondContact O-N 3.37Å; A237-T241 PolarHBondContact O-OG1 3.01Å; F239-T241 VanDerWaalsContact C-N 3.32Å; F239-T241 PolarHBondContact O-N 3.25Å; T241-Y243 PolarHBondContact O-N 3.39Å; T241-A244 PolarHBondContact O-N 3.42Å; T241-V245 HydrophobicContact CG2-CG1 4.35Å; T241-V245 WeakPolarHBondContact O-CG2 3.49Å; T241-V245 PolarHBondContact O-N 3.44Å; T241-V281 HydrophobicContact CG2-CG2 4.15Å
242Y96.9Very high94.8Very high120 Ų12047.7 Ų47.747%0.47123%0.232SC..Hα-helixtrans-58.1-48.2179.3-178.1-96.4000112.3W217 V238 F239 A244 V245 A246W217-Y242 HydrophobicContact CH2-CE2 4.05Å; V238-Y242 WeakPolarHBondContact O-CB 3.37Å; V238-Y242 PolarHBondContact O-N 3.28Å; F239-Y242 PolarHBondContact O-N 3.43Å; Y242-A244 PolarHBondContact O-N 3.37Å; Y242-V245 VanDerWaalsContact O-CG2 3.29Å; Y242-V245 WeakPolarHBondContact O-CG2 3.49Å; Y242-A246 VanDerWaalsContact O-CB 3.32Å; Y242-A246 WeakPolarHBondContact O-CB 2.94Å; Y242-A246 PolarHBondContact O-N 3.27Å
243Y97.8Very high95Very high93 Ų9345.6 Ų45.637%0.36522%0.221SC..Hα-helixtrans-64.2-40.7178.3-71-58.1000112.4F239 T241 A246 V247 P291 M295F239-Y243 HydrophobicContact CB-CD2 4.46Å; F239-Y243 HydrophobicContact CB-CE2 4.24Å; F239-Y243 WeakPolarHBondContact O-CD2 3.44Å; F239-Y243 PolarHBondContact O-N 3.5Å; T241-Y243 PolarHBondContact O-N 3.39Å; Y243-A246 PolarHBondContact O-N 2.96Å; Y243-V247 WeakPolarHBondContact O-CG2 3.3Å; Y243-V247 PolarHBondContact O-N 3Å; Y243-V247 VanDerWaalsContact O-N 3.07Å; Y243-P291 HydrophobicContact CD2-CB 3.73Å; Y243-P291 HydrophobicContact CD2-CG 4.41Å; Y243-P291 HydrophobicContact CE2-CB 3.75Å; Y243-P291 HydrophobicContact CE2-CG 4.06Å; Y243-P291 HydrophobicContact CG-CB 4.41Å; Y243-M295 HydrophobicContact CG-CG 4.46Å
244A97.6Very high95.2Very high0 Ų045.7 Ų45.70%023%0.229CC..Hα-helixtrans-64.5-46.7178.500000112.2N240 T241 Y242 A246 V247 S248 V281 A294N240-A244 WeakPolarHBondContact O-CB 3.31Å; N240-A244 PolarHBondContact O-N 3.06Å; T241-A244 PolarHBondContact O-N 3.42Å; Y242-A244 PolarHBondContact O-N 3.37Å; A244-A246 VanDerWaalsContact C-N 3.33Å; A244-A246 PolarHBondContact O-N 3.28Å; A244-V247 PolarHBondContact O-N 3.01Å; A244-S248 WeakPolarHBondContact O-CB 3.36Å; A244-S248 PolarHBondContact O-N 3.04Å; A244-V281 HydrophobicContact CB-CB 4.38Å; A244-V281 HydrophobicContact CB-CG1 3.42Å; A244-V281 VanDerWaalsContact CB-CG1 3.42Å; A244-V281 HydrophobicContact CB-CG2 4.09Å; A244-A294 WeakPolarHBondContact CB-O 3.44Å
245V96.2Very high95.2Very high0 Ų041.3 Ų41.30%022%0.215CC..Hα-helixtrans-67.7-32.8178-61.60000112.1W217 W220 T241 Y242 S248 V249 G278W217-V245 HydrophobicContact CD2-CG2 4.38Å; W217-V245 HydrophobicContact CZ2-CG2 4.08Å; W217-V245 PolarHBondContact NE1-O 3.04Å; W220-V245 HydrophobicContact CB-CG1 4.36Å; W220-V245 HydrophobicContact CG-CG1 4.44Å; T241-V245 HydrophobicContact CG2-CG1 4.35Å; T241-V245 WeakPolarHBondContact O-CG2 3.49Å; T241-V245 PolarHBondContact O-N 3.44Å; Y242-V245 VanDerWaalsContact O-CG2 3.29Å; Y242-V245 WeakPolarHBondContact O-CG2 3.49Å; V245-S248 WeakPolarHBondContact O-CB 3.33Å; V245-S248 PolarHBondContact O-N 3.08Å; V245-V249 WeakPolarHBondContact O-CG2 3.48Å; V245-V249 PolarHBondContact O-N 2.99Å; V245-G278 VanDerWaalsContact CG1-CA 3.42Å
246A97Very high95.1Very high32 Ų3236.2 Ų36.226%0.26419%0.193SC..Hα-helixtrans-63.8-4717500000111.8W217 Y242 Y243 A244 S248 V249 V250W217-A246 HydrophobicContact CZ2-CB 4.35Å; Y242-A246 VanDerWaalsContact O-CB 3.32Å; Y242-A246 WeakPolarHBondContact O-CB 2.94Å; Y242-A246 PolarHBondContact O-N 3.27Å; Y243-A246 PolarHBondContact O-N 2.96Å; A244-A246 VanDerWaalsContact C-N 3.33Å; A244-A246 PolarHBondContact O-N 3.28Å; A246-S248 VanDerWaalsContact C-N 3.33Å; A246-V249 PolarHBondContact O-N 3.04Å; A246-V250 PolarHBondContact O-N 3.22Å
247V97.6Very high95Very high28 Ų2835.9 Ų35.917%0.1720%0.195CC..Hα-helixtrans-68-35.9176.9177.60000111.5Y243 A244 V249 V250 T251 M295 L299Y243-V247 WeakPolarHBondContact O-CG2 3.3Å; Y243-V247 PolarHBondContact O-N 3Å; Y243-V247 VanDerWaalsContact O-N 3.07Å; A244-V247 PolarHBondContact O-N 3.01Å; V247-V249 VanDerWaalsContact C-N 3.26Å; V247-V249 PolarHBondContact O-N 3.43Å; V247-V250 PolarHBondContact O-N 3.27Å; V247-T251 WeakPolarHBondContact O-CB 3.39Å; V247-T251 PolarHBondContact O-N 2.93Å; V247-T251 PolarHBondContact O-OG1 3.36Å; V247-M295 WeakPolarHBondContact CG1-O 3.47Å; V247-M295 HydrophobicContact CG2-CB 3.78Å; V247-M295 HydrophobicContact CG2-CE 3.81Å; V247-M295 HydrophobicContact CG2-CG 3.81Å; V247-L299 HydrophobicContact CG1-CB 3.73Å
248S95.8Very high94.8Very high0 Ų043.2 Ų43.20%023%0.233CC..Hα-helixtrans-57.1-38.7175.2-153.80000112A244 V245 A246 T251 A252 A273 A276 G277A244-S248 WeakPolarHBondContact O-CB 3.36Å; A244-S248 PolarHBondContact O-N 3.04Å; V245-S248 WeakPolarHBondContact O-CB 3.33Å; V245-S248 PolarHBondContact O-N 3.08Å; A246-S248 VanDerWaalsContact C-N 3.33Å; S248-T251 PolarHBondContact O-N 3.39Å; S248-A252 WeakPolarHBondContact O-CB 3.39Å; S248-A252 PolarHBondContact O-N 3.48Å; S248-A273 PolarHBondContact OG-O 3.12Å; S248-A276 PolarHBondContact OG-N 3.06Å; S248-G277 PolarHBondContact OG-N 2.89Å
249V95.3Very high94.3Very high37 Ų3741.6 Ų41.622%0.22423%0.225CC..Hα-helixtrans-64.8-50.1177.2178.40000111.7V245 A246 V247 T251 A252 I253 V274V245-V249 WeakPolarHBondContact O-CG2 3.48Å; V245-V249 PolarHBondContact O-N 2.99Å; A246-V249 PolarHBondContact O-N 3.04Å; V247-V249 VanDerWaalsContact C-N 3.26Å; V247-V249 PolarHBondContact O-N 3.43Å; V249-T251 PolarHBondContact O-N 2.75Å; V249-A252 WeakPolarHBondContact O-CB 3.37Å; V249-A252 PolarHBondContact O-N 3.06Å; V249-I253 HydrophobicContact CG1-CD1 4.12Å; V249-I253 PolarHBondContact O-N 3.37Å; V249-V274 HydrophobicContact CG1-CG2 4.42Å; V249-V274 HydrophobicContact CG2-CB 4.48Å; V249-V274 HydrophobicContact CG2-CG1 3.79Å; V249-V274 HydrophobicContact CG2-CG2 4.41Å
250V96.3Very high93.7Very high91 Ų9139.6 Ų39.655%0.55222%0.217SC*.Hα-helixtrans-60.4-42179.91770000109.8A246 V247 S254A246-V250 PolarHBondContact O-N 3.22Å; V247-V250 PolarHBondContact O-N 3.27Å; V250-S254 VanDerWaalsContact O-CB 3.25Å; V250-S254 WeakPolarHBondContact O-CB 3.42Å; V250-S254 PolarHBondContact O-N 2.89Å; V250-S254 PolarHBondContact O-OG 2.8Å
251T95.2Very high93.1Very high9 Ų945.5 Ų45.56%0.05526%0.255CS..Hα-helixtrans-65.5-41.8176.5-52.80000112V247 S248 V249 G255 L299 L303V247-T251 WeakPolarHBondContact O-CB 3.39Å; V247-T251 PolarHBondContact O-N 2.93Å; V247-T251 PolarHBondContact O-OG1 3.36Å; S248-T251 PolarHBondContact O-N 3.39Å; V249-T251 PolarHBondContact O-N 2.75Å; T251-G255 VanDerWaalsContact O-CA 3.29Å; T251-G255 WeakPolarHBondContact O-CA 3.03Å; T251-G255 PolarHBondContact O-N 3.08Å; T251-L299 HydrophobicContact CG2-CD1 3.85Å; T251-L299 WeakPolarHBondContact CG2-O 3.4Å; T251-L299 WeakPolarHBondContact OG1-CD1 3.41Å; T251-L303 HydrophobicContact CG2-CB 4.48Å; T251-L303 HydrophobicContact CG2-CD2 3.77Å; T251-L303 HydrophobicContact CG2-CG 3.67Å
252A92.3Very high92.5Very high0 Ų051.9 Ų51.90%029%0.285CS..Hα-helixtrans-61.3-47178.900000111.7S248 V249 S256 A273 V274S248-A252 WeakPolarHBondContact O-CB 3.39Å; S248-A252 PolarHBondContact O-N 3.48Å; V249-A252 WeakPolarHBondContact O-CB 3.37Å; V249-A252 PolarHBondContact O-N 3.06Å; A252-S256 WeakPolarHBondContact O-CA 3.2Å; A252-S256 WeakPolarHBondContact O-CB 3.27Å; A252-S256 PolarHBondContact O-N 2.96Å; A252-A273 HydrophobicContact CB-CB 3.51Å; A252-V274 HydrophobicContact CB-CG2 3.87Å
253I92.8Very high92Very high70 Ų7048.1 Ų48.136%0.35928%0.283SS..Hα-helixtrans-68.2-48.9179.9-65.6172.8000110.6V249 S256 S257 I265 V270V249-I253 HydrophobicContact CG1-CD1 4.12Å; V249-I253 PolarHBondContact O-N 3.37Å; I253-S256 PolarHBondContact O-N 3.24Å; I253-S257 PolarHBondContact O-N 3.36Å; I253-I265 HydrophobicContact CG2-CD1 3.83Å; I253-I265 HydrophobicContact CG2-CG1 4.36Å; I253-V270 HydrophobicContact CG1-CG2 4.45Å
254S94.6Very high91.5Very high68 Ų6849.5 Ų49.548%0.47629%0.291SS..Hα-helixtrans-68.7-47.5-176.4-51.30000111.4V250 S256 S257 L258V250-S254 VanDerWaalsContact O-CB 3.25Å; V250-S254 WeakPolarHBondContact O-CB 3.42Å; V250-S254 PolarHBondContact O-N 2.89Å; V250-S254 PolarHBondContact O-OG 2.8Å; S254-S256 VanDerWaalsContact C-N 3.33Å; S254-S256 PolarHBondContact O-N 2.99Å; S254-S257 PolarHBondContact O-N 3.07Å; S254-L258 WeakPolarHBondContact O-CB 3.39Å; S254-L258 PolarHBondContact O-N 3.37Å
255G90.4Very high90.9Very high9 Ų954.3 Ų54.39%0.09332%0.316CS..Hα-helixtrans-62.9-38.5175.500000112T251 S257 L258 A259T251-G255 VanDerWaalsContact O-CA 3.29Å; T251-G255 WeakPolarHBondContact O-CA 3.03Å; T251-G255 PolarHBondContact O-N 3.08Å; G255-S257 PolarHBondContact O-N 3.41Å; G255-L258 PolarHBondContact O-N 3.25Å; G255-A259 WeakPolarHBondContact O-CB 3.46Å; G255-A259 PolarHBondContact O-N 2.86Å
256S89.1Confident90.2Very high0 Ų055.6 Ų55.60%032%0.324CS..Hα-helixtrans-62.5-43.3174.1175.20000112.1A252 I253 S254 A259 H260 S266 Y269A252-S256 WeakPolarHBondContact O-CA 3.2Å; A252-S256 WeakPolarHBondContact O-CB 3.27Å; A252-S256 PolarHBondContact O-N 2.96Å; I253-S256 PolarHBondContact O-N 3.24Å; S254-S256 VanDerWaalsContact C-N 3.33Å; S254-S256 PolarHBondContact O-N 2.99Å; S256-A259 PolarHBondContact O-N 3.01Å; S256-H260 PolarHBondContact O-N 3.49Å; S256-S266 PolarHBondContact OG-N 3.06Å; S256-Y269 WeakPolarHBondContact OG-CD2 3.46Å
257S91.6Very high89.3Confident40 Ų4059 Ų5928%0.2833%0.333SS..Hα-helixtrans-63.5-47.7178-179.50000110.5I253 S254 G255 A259 H260 G263I253-S257 PolarHBondContact O-N 3.36Å; S254-S257 PolarHBondContact O-N 3.07Å; G255-S257 PolarHBondContact O-N 3.41Å; S257-A259 VanDerWaalsContact C-N 3.3Å; S257-A259 PolarHBondContact O-N 2.99Å; S257-H260 PolarHBondContact O-N 3.37Å; S257-G263 WeakPolarHBondContact O-CA 3.22Å; S257-G263 PolarHBondContact OG-O 3.16Å; S257-G263 VanDerWaalsContact OG-O 3.05Å
258L89.9Confident88.2Confident154 Ų15462.1 Ų62.181%0.80635%0.352SS*.Hα-helixtrans-61.3-36.8178.5-17565000112.8S254 G255 H260S254-L258 WeakPolarHBondContact O-CB 3.39Å; S254-L258 PolarHBondContact O-N 3.37Å; G255-L258 PolarHBondContact O-N 3.25Å; L258-H260 VanDerWaalsContact C-N 3.29Å; L258-H260 PolarHBondContact O-N 3.32Å
259A85.1Confident87.5Confident16 Ų1664.1 Ų64.113%0.13236%0.36CS..Hα-helixtrans-74.6-18.3-17900000113.5G255 S256 S257 Y269 V306 K310G255-A259 WeakPolarHBondContact O-CB 3.46Å; G255-A259 PolarHBondContact O-N 2.86Å; S256-A259 PolarHBondContact O-N 3.01Å; S257-A259 VanDerWaalsContact C-N 3.3Å; S257-A259 PolarHBondContact O-N 2.99Å; A259-Y269 HydrophobicContact CB-CD2 4.49Å; A259-Y269 HydrophobicContact CB-CE2 4.24Å; A259-V306 HydrophobicContact CB-CG1 4.04Å; A259-K310 HydrophobicContact CB-CD 4.11Å; A259-K310 PolarHBondContact O-NZ 3.47Å
260H83.9Confident87Confident57 Ų5763 Ų6326%0.26435%0.354SS..SBendtrans-90.8130.9-176.8-168.4-81.2000111.3S256 S257 L258 Q262 G263 K264S256-H260 PolarHBondContact O-N 3.49Å; S257-H260 PolarHBondContact O-N 3.37Å; L258-H260 VanDerWaalsContact C-N 3.29Å; L258-H260 PolarHBondContact O-N 3.32Å; H260-Q262 PolarHBondContact ND1-N 3.43Å; H260-Q262 VanDerWaalsContact ND1-N 3.15Å; H260-Q262 PolarHBondContact O-N 3.27Å; H260-G263 PolarHBondContact O-N 3.27Å; H260-K264 WeakPolarHBondContact CB-O 3.29Å
261P82.9Confident86.1Confident131 Ų13159.8 Ų59.885%0.85133%0.332SS*.THydrogen-bonded Turntrans-56-27.1-176.1-26.634000115.4
262Q85.4Confident85.3Confident135 Ų13559.7 Ų59.763%0.63133%0.332SS*.THydrogen-bonded Turntrans-104.98.4179-58.7179.4-15.500114.2H260 K264H260-Q262 PolarHBondContact ND1-N 3.43Å; H260-Q262 VanDerWaalsContact ND1-N 3.15Å; H260-Q262 PolarHBondContact O-N 3.27Å; Q262-K264 VanDerWaalsContact C-N 3.3Å; Q262-K264 HydrophobicContact CB-CD 4.47Å; Q262-K264 HydrophobicContact CB-CG 4.34Å; Q262-K264 PolarHBondContact O-N 3.49Å
263G84.6Confident85.1Confident41 Ų4159.7 Ų59.742%0.42333%0.332SS..SBendtrans68.224.2-176.900000114.9S257 H260S257-G263 WeakPolarHBondContact O-CA 3.22Å; S257-G263 PolarHBondContact OG-O 3.16Å; S257-G263 VanDerWaalsContact OG-O 3.05Å; H260-G263 PolarHBondContact O-N 3.27Å
264K87.3Confident85Confident121 Ų12157 Ų5753%0.52632%0.319SS..PPolyproline II helixtrans-92.5147.4179.4-69177.9176.2163.40110.8H260 Q262 S266H260-K264 WeakPolarHBondContact CB-O 3.29Å; Q262-K264 VanDerWaalsContact C-N 3.3Å; Q262-K264 HydrophobicContact CB-CD 4.47Å; Q262-K264 HydrophobicContact CB-CG 4.34Å; Q262-K264 PolarHBondContact O-N 3.49Å; K264-S266 PolarHBondContact O-N 3.42Å
265I86.1Confident84.9Confident102 Ų10253.8 Ų53.852%0.52330%0.296SS..PPolyproline II helixtrans-80.4119.4177.3-58.9165.8000109.2I253 V270I253-I265 HydrophobicContact CG2-CD1 3.83Å; I253-I265 HydrophobicContact CG2-CG1 4.36Å; I265-V270 HydrophobicContact CG2-CG2 3.44Å; I265-V270 VanDerWaalsContact CG2-CG2 3.44Å
266S81.7Confident85Confident26 Ų2653.4 Ų53.418%0.18229%0.292CS..PPolyproline II helixtrans-88125.9177175.80000109.9S256 K264 T268 Y269 V270S256-S266 PolarHBondContact OG-N 3.06Å; K264-S266 PolarHBondContact O-N 3.42Å; S266-T268 VanDerWaalsContact C-N 3.26Å; S266-T268 PolarHBondContact O-N 3.26Å; S266-Y269 PolarHBondContact O-N 3.07Å; S266-V270 WeakPolarHBondContact O-CG2 2.93Å; S266-V270 PolarHBondContact O-N 3.39Å; S266-V270 VanDerWaalsContact O-N 3.12Å
267K78.6Confident85.2Confident104 Ų10453.4 Ų53.445%0.45229%0.292SS..Hα-helixtrans-58.8-39.2178.2-61.4172.9177.1-172.30111.6T203 S206 V270 H271T203-K267 HydrophobicContact CG2-CD 4.19Å; S206-K267 PolarHBondContact OG-NZ 3.28Å; K267-V270 PolarHBondContact O-N 3.49Å; K267-H271 VanDerWaalsContact O-CB 3.25Å; K267-H271 WeakPolarHBondContact O-CB 3.32Å; K267-H271 PolarHBondContact O-N 2.86Å
268T74.4Confident85.3Confident93 Ų9351.5 Ų51.557%0.57128%0.279SS*.Hα-helixtrans-65.3-40.3-179.3-46.70000112.2S266 S272S266-T268 VanDerWaalsContact C-N 3.26Å; S266-T268 PolarHBondContact O-N 3.26Å; T268-S272 PolarHBondContact O-N 3.01Å
269Y80.9Confident85.4Confident42 Ų4244.2 Ų44.217%0.16524%0.241CC..Hα-helixtrans-70.5-43.5179.5-57.8-16.6000110.8S256 A259 S266 A273 A309 K310S256-Y269 WeakPolarHBondContact OG-CD2 3.46Å; A259-Y269 HydrophobicContact CB-CD2 4.49Å; A259-Y269 HydrophobicContact CB-CE2 4.24Å; S266-Y269 PolarHBondContact O-N 3.07Å; Y269-A273 WeakPolarHBondContact O-CB 3.46Å; Y269-A273 PolarHBondContact O-N 3.01Å; Y269-A309 HydrophobicContact CD1-CB 3.64Å; Y269-A309 HydrophobicContact CE1-CB 4.08Å; Y269-K310 HydrophobicContact CE1-CB 4.47Å
270V83.8Confident85.8Confident15 Ų1543.4 Ų43.49%0.09124%0.235CC..Hα-helixtrans-62.8-46.4178173.70000111.2M210 I253 I265 S266 K267 S272 A273 V274M210-V270 HydrophobicContact CE-CG1 4.31Å; M210-V270 HydrophobicContact SD-CG1 4.38Å; I253-V270 HydrophobicContact CG1-CG2 4.45Å; I265-V270 HydrophobicContact CG2-CG2 3.44Å; I265-V270 VanDerWaalsContact CG2-CG2 3.44Å; S266-V270 WeakPolarHBondContact O-CG2 2.93Å; S266-V270 PolarHBondContact O-N 3.39Å; S266-V270 VanDerWaalsContact O-N 3.12Å; K267-V270 PolarHBondContact O-N 3.49Å; V270-S272 VanDerWaalsContact C-N 3.32Å; V270-S272 PolarHBondContact O-N 3.46Å; V270-A273 PolarHBondContact O-N 3.34Å; V270-V274 HydrophobicContact CG1-CG2 3.64Å; V270-V274 WeakPolarHBondContact O-CB 3.33Å; V270-V274 WeakPolarHBondContact O-CG2 3.48Å; V270-V274 PolarHBondContact O-N 3.47Å
271H78.3Confident86.2Confident22 Ų2240.7 Ų40.710%0.10222%0.222CC..Hα-helixtrans-59.6-40.7-176.8-172.9-112.7000113.1L65 A209 K267 M328L65-H271 WeakPolarHBondContact CD1-CE1 3.34Å; L65-H271 WeakPolarHBondContact CD1-NE2 3.31Å; L65-H271 PolarHBondContact O-CE1 2.97Å; L65-H271 PolarHBondContact O-NE2 3.24Å; A209-H271 PolarHBondContact O-CD2 2.94Å; A209-H271 PolarHBondContact O-NE2 3.34Å; A209-H271 VanDerWaalsContact O-NE2 3.16Å; K267-H271 VanDerWaalsContact O-CB 3.25Å; K267-H271 WeakPolarHBondContact O-CB 3.32Å; K267-H271 PolarHBondContact O-N 2.86Å; H271-M328 WeakPolarHBondContact ND1-CE 3.39Å
272S77.2Confident86.5Confident8 Ų835.1 Ų35.16%0.05619%0.188CC..Hα-helixtrans-79.1-38177-171.70000113.3T268 V270 S305 N331T268-S272 PolarHBondContact O-N 3.01Å; V270-S272 VanDerWaalsContact C-N 3.32Å; V270-S272 PolarHBondContact O-N 3.46Å; S272-S305 PolarHBondContact O-OG 2.65Å; S272-S305 PolarHBondContact OG-OG 3Å; S272-S305 VanDerWaalsContact OG-OG 3.13Å; S272-N331 PolarHBondContact OG-ND2 3.3Å
273A88.1Confident86.6Confident0 Ų029 Ų290%016%0.16CC..Hα-helixtrans-88.3-20.6-168.800000114.2S248 A252 Y269 V270 L275 A276 S305 V306S248-A273 PolarHBondContact OG-O 3.12Å; A252-A273 HydrophobicContact CB-CB 3.51Å; Y269-A273 WeakPolarHBondContact O-CB 3.46Å; Y269-A273 PolarHBondContact O-N 3.01Å; V270-A273 PolarHBondContact O-N 3.34Å; A273-L275 PolarHBondContact O-N 2.94Å; A273-A276 WeakPolarHBondContact O-CB 3.25Å; A273-A276 PolarHBondContact O-N 2.91Å; A273-S305 WeakPolarHBondContact CA-OG 3.05Å; A273-S305 PolarHBondContact N-OG 3.27Å; A273-V306 HydrophobicContact CB-CG2 3.64Å
274V91.7Very high86.9Confident12 Ų1227 Ų277%0.07314%0.14CC..THydrogen-bonded Turntrans-62-28.9177.8161.40000112.3V249 A252 V270V249-V274 HydrophobicContact CG1-CG2 4.42Å; V249-V274 HydrophobicContact CG2-CB 4.48Å; V249-V274 HydrophobicContact CG2-CG1 3.79Å; V249-V274 HydrophobicContact CG2-CG2 4.41Å; A252-V274 HydrophobicContact CB-CG2 3.87Å; V270-V274 HydrophobicContact CG1-CG2 3.64Å; V270-V274 WeakPolarHBondContact O-CB 3.33Å; V270-V274 WeakPolarHBondContact O-CG2 3.48Å; V270-V274 PolarHBondContact O-N 3.47Å
275L91.3Very high87Confident1 Ų121.3 Ų21.31%0.00512%0.115CC..THydrogen-bonded Turntrans-98.1-6.5-176.6-57.2173.4000113.1L65 A213 L216 W217 W220 A273 G277 G278 V279L65-L275 HydrophobicContact CD1-CD1 3.87Å; L65-L275 HydrophobicContact CD2-CD1 4.45Å; A213-L275 HydrophobicContact CB-CD1 4.35Å; A213-L275 WeakPolarHBondContact O-CD2 3.39Å; L216-L275 HydrophobicContact CB-CD1 4.13Å; L216-L275 HydrophobicContact CB-CD2 3.8Å; L216-L275 HydrophobicContact CD1-CD1 3.62Å; W217-L275 HydrophobicContact CB-CD2 3.98Å; W220-L275 HydrophobicContact CE3-CB 4.35Å; W220-L275 HydrophobicContact CE3-CD2 3.85Å; W220-L275 HydrophobicContact CH2-CB 4.05Å; W220-L275 HydrophobicContact CZ3-CB 3.66Å; W220-L275 HydrophobicContact CZ3-CD1 3.95Å; W220-L275 HydrophobicContact CZ3-CD2 3.7Å; W220-L275 HydrophobicContact CZ3-CG 3.94Å; A273-L275 PolarHBondContact O-N 2.94Å; L275-G277 PolarHBondContact O-N 3.44Å; L275-G278 PolarHBondContact O-N 3.48Å; L275-V279 PolarHBondContact O-N 3.42Å
276A93Very high87.2Confident1 Ų117.9 Ų17.91%0.00810%0.097CC..Hα-helixtrans-62-41.8-167.300000113.2S248 A273 G278 V279 A280 A301 L335S248-A276 PolarHBondContact OG-N 3.06Å; A273-A276 WeakPolarHBondContact O-CB 3.25Å; A273-A276 PolarHBondContact O-N 2.91Å; A276-G278 VanDerWaalsContact C-N 3.25Å; A276-G278 PolarHBondContact O-N 3.28Å; A276-V279 PolarHBondContact O-N 3.01Å; A276-A280 WeakPolarHBondContact O-CB 3.08Å; A276-A280 PolarHBondContact O-N 3.24Å; A276-A301 HydrophobicContact CB-CB 4.12Å; A276-L335 HydrophobicContact CB-CD1 3.52Å; A276-L335 HydrophobicContact CB-CD2 4.04Å; A276-L335 HydrophobicContact CB-CG 4.44Å
277G94.4Very high87.6Confident0 Ų019 Ų190%010%0.1CC..Hα-helixtrans-60.4-32.7176.300000113.6S248 L275 A280 V281S248-G277 PolarHBondContact OG-N 2.89Å; L275-G277 PolarHBondContact O-N 3.44Å; G277-A280 PolarHBondContact O-N 3.04Å; G277-V281 WeakPolarHBondContact O-CG2 3.16Å; G277-V281 PolarHBondContact O-N 3.36Å
278G92.8Very high88.3Confident0 Ų014.2 Ų14.20%08%0.08CC..Hα-helixtrans-70.3-41.6-179.700000112.5W220 N224 V245 L275 A276 G282W220-G278 PolarHBondContact NE1-O 2.85Å; N224-G278 PolarHBondContact ND2-O 3.46Å; V245-G278 VanDerWaalsContact CG1-CA 3.42Å; L275-G278 PolarHBondContact O-N 3.48Å; A276-G278 VanDerWaalsContact C-N 3.25Å; A276-G278 PolarHBondContact O-N 3.28Å; G278-G282 PolarHBondContact O-N 3.06Å
279V91.9Very high89Confident1 Ų114.4 Ų14.41%0.0068%0.082CC..Hα-helixtrans-65.2-47.8172.6-176.90000110.1Y173 W220 L275 A276 V281 G282 F332 L335Y173-V279 HydrophobicContact CD1-CG1 3.97Å; Y173-V279 HydrophobicContact CD2-CG1 4.15Å; Y173-V279 HydrophobicContact CE1-CG1 4.4Å; Y173-V279 HydrophobicContact CE1-CG2 4.35Å; Y173-V279 HydrophobicContact CG-CG1 3.82Å; W220-V279 HydrophobicContact CH2-CG2 3.72Å; W220-V279 HydrophobicContact CZ2-CB 4.34Å; W220-V279 HydrophobicContact CZ2-CG2 3.37Å; L275-V279 PolarHBondContact O-N 3.42Å; A276-V279 PolarHBondContact O-N 3.01Å; V279-V281 PolarHBondContact O-N 2.96Å; V279-G282 PolarHBondContact O-N 3.5Å; V279-F332 HydrophobicContact CG2-CD1 3.86Å; V279-F332 HydrophobicContact CG2-CE1 3.72Å; V279-F332 HydrophobicContact CG2-CG 4.38Å; V279-F332 HydrophobicContact CG2-CZ 4.13Å; V279-L335 HydrophobicContact CB-CB 4.01Å; V279-L335 HydrophobicContact CB-CD1 4.44Å; V279-L335 HydrophobicContact CG1-CB 3.72Å
280A93.4Very high89.6Confident0 Ų014.4 Ų14.40%09%0.089CC..Hα-helixtrans-65.6-35.9-174.100000113.7A276 G277 G282 L297 A301 L335 L338 G339A276-A280 WeakPolarHBondContact O-CB 3.08Å; A276-A280 PolarHBondContact O-N 3.24Å; G277-A280 PolarHBondContact O-N 3.04Å; A280-G282 VanDerWaalsContact C-N 3.29Å; A280-L297 HydrophobicContact CB-CD1 4.29Å; A280-L297 HydrophobicContact CB-CG 4.31Å; A280-A301 HydrophobicContact CB-CB 3.6Å; A280-L335 HydrophobicContact CB-CD2 4.49Å; A280-L338 HydrophobicContact CB-CD2 4.23Å; A280-G339 WeakPolarHBondContact O-CA 3.27Å
281V93Very high90.1Very high0 Ų016.7 Ų16.70%010%0.104CC..THydrogen-bonded Turntrans-81.9-6.1173.8-63.20000113.2T241 A244 G277 V279 T283 S284 C285 I288 L297T241-V281 HydrophobicContact CG2-CG2 4.15Å; A244-V281 HydrophobicContact CB-CB 4.38Å; A244-V281 HydrophobicContact CB-CG1 3.42Å; A244-V281 VanDerWaalsContact CB-CG1 3.42Å; A244-V281 HydrophobicContact CB-CG2 4.09Å; G277-V281 WeakPolarHBondContact O-CG2 3.16Å; G277-V281 PolarHBondContact O-N 3.36Å; V279-V281 PolarHBondContact O-N 2.96Å; V281-T283 PolarHBondContact O-N 3.45Å; V281-S284 PolarHBondContact O-N 2.62Å; V281-S284 VanDerWaalsContact O-N 3.14Å; V281-C285 HydrophobicContact CB-CB 4.19Å; V281-C285 HydrophobicContact CG2-CB 4.36Å; V281-C285 WeakPolarHBondContact O-CA 3.21Å; V281-C285 WeakPolarHBondContact O-CB 3.42Å; V281-C285 PolarHBondContact O-N 3.05Å; V281-I288 HydrophobicContact CG1-CD1 4.21Å; V281-L297 HydrophobicContact CG1-CB 4.49Å; V281-L297 HydrophobicContact CG1-CD2 3.68Å; V281-L297 HydrophobicContact CG1-CG 4.08Å
282G89.4Confident90.9Very high13 Ų1323.3 Ų23.313%0.13413%0.128CC..THydrogen-bonded Turntrans-45.3-55.5-168.700000114.2G278 V279 A280 C285G278-G282 PolarHBondContact O-N 3.06Å; V279-G282 PolarHBondContact O-N 3.5Å; A280-G282 VanDerWaalsContact C-N 3.29Å; G282-C285 PolarHBondContact O-SG 2.83Å
283T87Confident91.8Very high7 Ų725.7 Ų25.74%0.04314%0.14CC..THydrogen-bonded Turntrans-78-36.2-178.653.40000113.8M170 V281 H286 G339 E340M170-T283 VanDerWaalsContact C-CG2 3.49Å; M170-T283 HydrophobicContact CB-CG2 3.8Å; M170-T283 WeakPolarHBondContact CE-O 3.47Å; M170-T283 WeakPolarHBondContact O-CG2 3.38Å; V281-T283 PolarHBondContact O-N 3.45Å; T283-H286 PolarHBondContact O-CE1 2.84Å; T283-H286 VanDerWaalsContact O-CE1 3.26Å; T283-H286 PolarHBondContact O-ND1 3.15Å; T283-G339 PolarHBondContact OG1-O 2.76Å; T283-E340 WeakPolarHBondContact CG2-OE1 3.34Å; T283-E340 PolarHBondContact OG1-N 3.02Å
284S90.2Very high92.2Very high0 Ų025.7 Ų25.70%014%0.14CC..THydrogen-bonded Turntrans-92-9.6-17252.70000114.6V281 H286 L287 I288V281-S284 PolarHBondContact O-N 2.62Å; V281-S284 VanDerWaalsContact O-N 3.14Å; S284-H286 PolarHBondContact O-N 3.13Å; S284-L287 PolarHBondContact O-N 3.39Å; S284-I288 WeakPolarHBondContact O-CG1 3.45Å; S284-I288 PolarHBondContact O-N 3.03Å
285C90.6Very high92.5Very high1 Ų129 Ų291%0.00716%0.156CC..THydrogen-bonded Turntrans-57.1-31.2-167.659.20000114.6A237 N240 V281 G282A237-C285 WeakPolarHBondContact CA-O 3.18Å; A237-C285 HydrophobicContact CB-CB 4.17Å; A237-C285 VanDerWaalsContact CB-SG 3.52Å; N240-C285 WeakPolarHBondContact CB-O 3.13Å; N240-C285 PolarHBondContact ND2-O 3.13Å; V281-C285 HydrophobicContact CB-CB 4.19Å; V281-C285 HydrophobicContact CG2-CB 4.36Å; V281-C285 WeakPolarHBondContact O-CA 3.21Å; V281-C285 WeakPolarHBondContact O-CB 3.42Å; V281-C285 PolarHBondContact O-N 3.05Å; G282-C285 PolarHBondContact O-SG 2.83Å
286H89.8Confident92.8Very high29 Ų2932.3 Ų32.313%0.13418%0.175CC..THydrogen-bonded Turntrans-81.8-23.6-179.966-74.3000113.6L228 E233 A237 T283 S284L228-H286 HydrophobicContact CD1-CB 3.77Å; L228-H286 HydrophobicContact CD2-CB 4.28Å; E233-H286 HydrophobicContact CB-CB 3.99Å; E233-H286 HydrophobicContact CG-CB 4.38Å; A237-H286 HydrophobicContact CB-CB 4.32Å; T283-H286 PolarHBondContact O-CE1 2.84Å; T283-H286 VanDerWaalsContact O-CE1 3.26Å; T283-H286 PolarHBondContact O-ND1 3.15Å; S284-H286 PolarHBondContact O-N 3.13Å
287L90.1Very high93Very high49 Ų4932.9 Ų32.926%0.25718%0.178SC..THydrogen-bonded Turntrans-91.6-18.6-179.3-63.9-173.9000113.5S284 P289 Y343 L346S284-L287 PolarHBondContact O-N 3.39Å; L287-P289 WeakPolarHBondContact O-CD 3.41Å; L287-P289 VanDerWaalsContact O-N 3.13Å; L287-Y343 HydrophobicContact CD1-CD2 3.63Å; L287-Y343 HydrophobicContact CD1-CE2 3.38Å; L287-Y343 HydrophobicContact CG-CE2 4.32Å; L287-L346 HydrophobicContact CB-CB 4.21Å; L287-L346 HydrophobicContact CB-CD1 4.15Å; L287-L346 HydrophobicContact CD1-CB 4.41Å
288I92.4Very high93.1Very high5 Ų532.9 Ų32.93%0.02618%0.178CC..  trans-63.7116.1-179.4-67.9165.1000109.6N240 V281 S284 S290 L293 A294 L297 L346N240-I288 HydrophobicContact CB-CB 4.45Å; N240-I288 HydrophobicContact CB-CD1 4.48Å; N240-I288 WeakPolarHBondContact ND2-CB 3.33Å; N240-I288 PolarHBondContact ND2-O 3.33Å; V281-I288 HydrophobicContact CG1-CD1 4.21Å; S284-I288 WeakPolarHBondContact O-CG1 3.45Å; S284-I288 PolarHBondContact O-N 3.03Å; I288-S290 WeakPolarHBondContact CG2-O 3.39Å; I288-S290 PolarHBondContact O-N 2.93Å; I288-L293 HydrophobicContact CG2-CB 3.74Å; I288-L293 HydrophobicContact CG2-CD1 4.44Å; I288-A294 HydrophobicContact CD1-CB 4.22Å; I288-A294 HydrophobicContact CG2-CB 4.22Å; I288-L297 HydrophobicContact CD1-CD2 4.4Å; I288-L346 HydrophobicContact CB-CD1 4.5Å; I288-L346 HydrophobicContact CG1-CD1 3.57Å
289P90.2Very high93.3Very high96 Ų9636.6 Ų36.662%0.62320%0.198SC*.  trans-80.9-16.9-170.431.3-36.4000113.3L287 L293L287-P289 WeakPolarHBondContact O-CD 3.41Å; L287-P289 VanDerWaalsContact O-N 3.13Å; P289-L293 HydrophobicContact CG-CD1 3.85Å
290S92.7Very high93.5Very high43 Ų4339.3 Ų39.330%0.30121%0.214SC..SBendtrans-142.8136.5-171.7-66.50000112.1I288 W292 L293I288-S290 WeakPolarHBondContact CG2-O 3.39Å; I288-S290 PolarHBondContact O-N 2.93Å; S290-W292 VanDerWaalsContact C-N 3.28Å; S290-W292 PolarHBondContact O-N 2.95Å; S290-L293 WeakPolarHBondContact O-CB 3.49Å; S290-L293 PolarHBondContact O-N 3.27Å; S290-L293 VanDerWaalsContact O-N 3.12Å
291P94.8Very high93.6Very high63 Ų6339.3 Ų39.341%0.40921%0.214SC..Hα-helixtrans-55.8-36.6-176.7-30.336.6000115.1Y243 L293 A294 M295Y243-P291 HydrophobicContact CD2-CB 3.73Å; Y243-P291 HydrophobicContact CD2-CG 4.41Å; Y243-P291 HydrophobicContact CE2-CB 3.75Å; Y243-P291 HydrophobicContact CE2-CG 4.06Å; Y243-P291 HydrophobicContact CG-CB 4.41Å; P291-L293 PolarHBondContact O-N 3.36Å; P291-A294 WeakPolarHBondContact O-CB 3.42Å; P291-A294 PolarHBondContact O-N 2.95Å; P291-A294 VanDerWaalsContact O-N 3.15Å; P291-M295 WeakPolarHBondContact O-CG 3.35Å; P291-M295 PolarHBondContact O-N 3.44Å
292W95.9Very high93.7Very high160 Ų16039.3 Ų39.361%0.60621%0.214SC*.Hα-helixtrans-64.2-30.1-177.675-94.3000112.5S290 M295 V296S290-W292 VanDerWaalsContact C-N 3.28Å; S290-W292 PolarHBondContact O-N 2.95Å; W292-M295 WeakPolarHBondContact O-CB 2.99Å; W292-M295 PolarHBondContact O-N 2.99Å; W292-V296 HydrophobicContact CE3-CG2 3.88Å; W292-V296 HydrophobicContact CZ3-CG2 4.13Å; W292-V296 WeakPolarHBondContact O-CG2 3.41Å; W292-V296 PolarHBondContact O-N 2.86Å
293L95.9Very high93.8Very high58 Ų5843 Ų4330%0.30423%0.231SC..Hα-helixtrans-66.3-43.4175.1-70.4169000110.6I288 P289 S290 P291 M295 V296 L297I288-L293 HydrophobicContact CG2-CB 3.74Å; I288-L293 HydrophobicContact CG2-CD1 4.44Å; P289-L293 HydrophobicContact CG-CD1 3.85Å; S290-L293 WeakPolarHBondContact O-CB 3.49Å; S290-L293 PolarHBondContact O-N 3.27Å; S290-L293 VanDerWaalsContact O-N 3.12Å; P291-L293 PolarHBondContact O-N 3.36Å; L293-M295 VanDerWaalsContact C-N 3.3Å; L293-M295 PolarHBondContact O-N 3.02Å; L293-V296 PolarHBondContact O-N 3.49Å; L293-L297 WeakPolarHBondContact O-CB 3.43Å; L293-L297 PolarHBondContact O-N 3.39Å
294A96.7Very high94.1Very high0 Ų045.8 Ų45.80%024%0.244CC..Hα-helixtrans-63.9-37.7174.600000111.7N240 A244 I288 P291 L297 G298N240-A294 HydrophobicContact CB-CB 3.85Å; N240-A294 WeakPolarHBondContact O-CB 3.47Å; A244-A294 WeakPolarHBondContact CB-O 3.44Å; I288-A294 HydrophobicContact CD1-CB 4.22Å; I288-A294 HydrophobicContact CG2-CB 4.22Å; P291-A294 WeakPolarHBondContact O-CB 3.42Å; P291-A294 PolarHBondContact O-N 2.95Å; P291-A294 VanDerWaalsContact O-N 3.15Å; A294-L297 PolarHBondContact O-N 2.91Å; A294-G298 PolarHBondContact O-N 2.87Å
295M98Very high94.1Very high83 Ų8345.8 Ų45.841%0.40924%0.244SC..Hα-helixtrans-62.1-46.5173.5-69177.374.400112.1Y243 V247 P291 W292 L293 L297 G298 L299Y243-M295 HydrophobicContact CG-CG 4.46Å; V247-M295 WeakPolarHBondContact CG1-O 3.47Å; V247-M295 HydrophobicContact CG2-CB 3.78Å; V247-M295 HydrophobicContact CG2-CE 3.81Å; V247-M295 HydrophobicContact CG2-CG 3.81Å; P291-M295 WeakPolarHBondContact O-CG 3.35Å; P291-M295 PolarHBondContact O-N 3.44Å; W292-M295 WeakPolarHBondContact O-CB 2.99Å; W292-M295 PolarHBondContact O-N 2.99Å; L293-M295 VanDerWaalsContact C-N 3.3Å; L293-M295 PolarHBondContact O-N 3.02Å; M295-L297 VanDerWaalsContact C-N 3.35Å; M295-G298 PolarHBondContact O-N 2.9Å; M295-L299 PolarHBondContact O-N 3.44Å
296V97.3Very high94Very high69 Ų6946 Ų4642%0.41825%0.246SC..Hα-helixtrans-61.8-43.9176.6169.10000110.8W292 L293 G298 L299 V300W292-V296 HydrophobicContact CE3-CG2 3.88Å; W292-V296 HydrophobicContact CZ3-CG2 4.13Å; W292-V296 WeakPolarHBondContact O-CG2 3.41Å; W292-V296 PolarHBondContact O-N 2.86Å; L293-V296 PolarHBondContact O-N 3.49Å; V296-G298 VanDerWaalsContact C-N 3.33Å; V296-G298 PolarHBondContact O-N 3.4Å; V296-L299 WeakPolarHBondContact O-CB 3.43Å; V296-L299 PolarHBondContact O-N 3.18Å; V296-V300 HydrophobicContact CG1-CG2 4.43Å; V296-V300 WeakPolarHBondContact O-CG2 3.27Å; V296-V300 PolarHBondContact O-N 2.89Å
297L96.1Very high93.8Very high13 Ų1345.9 Ų45.97%0.06825%0.252CS..Hα-helixtrans-62.2-41.1176.5-177.452.1000111.7A280 V281 I288 L293 A294 M295 L299 V300 A301 L338 I342A280-L297 HydrophobicContact CB-CD1 4.29Å; A280-L297 HydrophobicContact CB-CG 4.31Å; V281-L297 HydrophobicContact CG1-CB 4.49Å; V281-L297 HydrophobicContact CG1-CD2 3.68Å; V281-L297 HydrophobicContact CG1-CG 4.08Å; I288-L297 HydrophobicContact CD1-CD2 4.4Å; L293-L297 WeakPolarHBondContact O-CB 3.43Å; L293-L297 PolarHBondContact O-N 3.39Å; A294-L297 PolarHBondContact O-N 2.91Å; M295-L297 VanDerWaalsContact C-N 3.35Å; L297-L299 PolarHBondContact O-N 3Å; L297-V300 PolarHBondContact O-N 3.37Å; L297-A301 WeakPolarHBondContact O-CB 3.49Å; L297-A301 PolarHBondContact O-N 2.94Å; L297-L338 HydrophobicContact CD1-CD2 3.82Å; L297-L338 HydrophobicContact CD1-CG 4.02Å; L297-I342 HydrophobicContact CD1-CG1 4.05Å; L297-I342 HydrophobicContact CD2-CB 4.42Å; L297-I342 HydrophobicContact CD2-CG1 4.23Å; L297-I342 HydrophobicContact CD2-CG2 4.08Å
298G96.8Very high93.4Very high0 Ų043.9 Ų43.90%024%0.244CC..Hα-helixtrans-61.1-39.5173.100000113.7A294 M295 V296 G302A294-G298 PolarHBondContact O-N 2.87Å; M295-G298 PolarHBondContact O-N 2.9Å; V296-G298 VanDerWaalsContact C-N 3.33Å; V296-G298 PolarHBondContact O-N 3.4Å; G298-G302 PolarHBondContact O-N 2.75Å
299L97Very high92.7Very high78 Ų7844.2 Ų44.241%0.40825%0.247SC..Hα-helixtrans-63.5-50.5174.4176.967.2000111.1V247 T251 M295 V296 L297 G302 L303V247-L299 HydrophobicContact CG1-CB 3.73Å; T251-L299 HydrophobicContact CG2-CD1 3.85Å; T251-L299 WeakPolarHBondContact CG2-O 3.4Å; T251-L299 WeakPolarHBondContact OG1-CD1 3.41Å; M295-L299 PolarHBondContact O-N 3.44Å; V296-L299 WeakPolarHBondContact O-CB 3.43Å; V296-L299 PolarHBondContact O-N 3.18Å; L297-L299 PolarHBondContact O-N 3Å; L299-G302 PolarHBondContact O-N 2.97Å; L299-L303 HydrophobicContact CD1-CD1 4.45Å; L299-L303 HydrophobicContact CG-CD1 4.43Å; L299-L303 WeakPolarHBondContact O-CG 3.49Å; L299-L303 PolarHBondContact O-N 3.5Å
300V96.2Very high92.2Very high58 Ų5843.5 Ų43.535%0.35223%0.234SC..Hα-helixtrans-62-46.4179.9172.80000110.5V296 L297 G302 L303 I304 L338V296-V300 HydrophobicContact CG1-CG2 4.43Å; V296-V300 WeakPolarHBondContact O-CG2 3.27Å; V296-V300 PolarHBondContact O-N 2.89Å; L297-V300 PolarHBondContact O-N 3.37Å; V300-G302 PolarHBondContact O-N 3.03Å; V300-L303 PolarHBondContact O-N 3.08Å; V300-I304 HydrophobicContact CG1-CD1 3.67Å; V300-I304 HydrophobicContact CG1-CG1 4.38Å; V300-I304 VanDerWaalsContact O-CG1 3.29Å; V300-I304 WeakPolarHBondContact O-CG1 3.42Å; V300-I304 PolarHBondContact O-N 2.87Å; V300-L338 HydrophobicContact CG1-CD2 4.37Å
301A95.4Very high91.4Very high0 Ų048.5 Ų48.50%025%0.248CC..Hα-helixtrans-58.4-45.9176.300000112.3A276 A280 L297 L303 I304 S305 L335 L338A276-A301 HydrophobicContact CB-CB 4.12Å; A280-A301 HydrophobicContact CB-CB 3.6Å; L297-A301 WeakPolarHBondContact O-CB 3.49Å; L297-A301 PolarHBondContact O-N 2.94Å; A301-L303 PolarHBondContact O-N 3.23Å; A301-I304 PolarHBondContact O-N 3.25Å; A301-S305 WeakPolarHBondContact O-CB 3.27Å; A301-S305 PolarHBondContact O-N 3.14Å; A301-L335 HydrophobicContact CB-CD2 3.76Å; A301-L338 HydrophobicContact CB-CD2 4.43Å
302G94.3Very high90.2Very high0 Ų046.7 Ų46.70%023%0.234CC..Hα-helixtrans-60.7-44.1176.600000112.6G298 L299 V300 S305 V306G298-G302 PolarHBondContact O-N 2.75Å; L299-G302 PolarHBondContact O-N 2.97Å; V300-G302 PolarHBondContact O-N 3.03Å; G302-S305 PolarHBondContact O-N 3.26Å; G302-V306 WeakPolarHBondContact O-CG2 3.36Å; G302-V306 PolarHBondContact O-N 2.76Å
303L93.3Very high88.7Confident92 Ų9240.5 Ų40.548%0.48222%0.215SC..Hα-helixtrans-65.5-43.3177.1-70.7175.7000112.3T251 L299 V300 A301 S305 V306 G307T251-L303 HydrophobicContact CG2-CB 4.48Å; T251-L303 HydrophobicContact CG2-CD2 3.77Å; T251-L303 HydrophobicContact CG2-CG 3.67Å; L299-L303 HydrophobicContact CD1-CD1 4.45Å; L299-L303 HydrophobicContact CG-CD1 4.43Å; L299-L303 WeakPolarHBondContact O-CG 3.49Å; L299-L303 PolarHBondContact O-N 3.5Å; V300-L303 PolarHBondContact O-N 3.08Å; A301-L303 PolarHBondContact O-N 3.23Å; L303-S305 VanDerWaalsContact C-N 3.31Å; L303-S305 PolarHBondContact O-N 3.33Å; L303-V306 PolarHBondContact O-N 3.39Å; L303-G307 PolarHBondContact O-N 3.04Å
304I92.1Very high87Confident64 Ų6440 Ų4033%0.32822%0.224SC..Hα-helixtrans-59.4-44.4175.3-71.2167.5000110.1V300 A301 G307 G308 L334 L335 L338V300-I304 HydrophobicContact CG1-CD1 3.67Å; V300-I304 HydrophobicContact CG1-CG1 4.38Å; V300-I304 VanDerWaalsContact O-CG1 3.29Å; V300-I304 WeakPolarHBondContact O-CG1 3.42Å; V300-I304 PolarHBondContact O-N 2.87Å; A301-I304 PolarHBondContact O-N 3.25Å; I304-G307 PolarHBondContact O-N 3.32Å; I304-G308 PolarHBondContact O-N 3.47Å; I304-L334 HydrophobicContact CG2-CD1 4.49Å; I304-L335 HydrophobicContact CG2-CD2 4.5Å; I304-L338 HydrophobicContact CD1-CD2 3.89Å
305S90.6Very high85.3Confident0 Ų043.9 Ų43.90%025%0.25CC..Hα-helixtrans-66.2-42.5179.6-1770000112.7S272 A273 A301 G302 L303 G308 A309S272-S305 PolarHBondContact O-OG 2.65Å; S272-S305 PolarHBondContact OG-OG 3Å; S272-S305 VanDerWaalsContact OG-OG 3.13Å; A273-S305 WeakPolarHBondContact CA-OG 3.05Å; A273-S305 PolarHBondContact N-OG 3.27Å; A301-S305 WeakPolarHBondContact O-CB 3.27Å; A301-S305 PolarHBondContact O-N 3.14Å; G302-S305 PolarHBondContact O-N 3.26Å; L303-S305 VanDerWaalsContact C-N 3.31Å; L303-S305 PolarHBondContact O-N 3.33Å; S305-G308 PolarHBondContact O-N 3.18Å; S305-A309 WeakPolarHBondContact O-CB 3.32Å; S305-A309 PolarHBondContact O-N 3.5Å
306V88.8Confident83.4Confident7 Ų740.5 Ų40.54%0.04223%0.234CC..Hα-helixtrans-63.5-46.1174.8172.20000111.2A259 A273 G302 L303 G308 A309 K310A259-V306 HydrophobicContact CB-CG1 4.04Å; A273-V306 HydrophobicContact CB-CG2 3.64Å; G302-V306 WeakPolarHBondContact O-CG2 3.36Å; G302-V306 PolarHBondContact O-N 2.76Å; L303-V306 PolarHBondContact O-N 3.39Å; V306-G308 VanDerWaalsContact C-N 3.33Å; V306-A309 PolarHBondContact O-N 2.89Å; V306-K310 PolarHBondContact O-N 3.27Å
307G85.4Confident81.6Confident26 Ų2642.3 Ų42.327%0.26824%0.241SC..Hα-helixtrans-61.4-43.8176.300000111.6L303 I304 K310 Y311L303-G307 PolarHBondContact O-N 3.04Å; I304-G307 PolarHBondContact O-N 3.32Å; G307-K310 PolarHBondContact O-N 3.05Å; G307-Y311 WeakPolarHBondContact O-CD2 3.36Å; G307-Y311 PolarHBondContact O-N 2.97Å
308G81.4Confident79.5Confident7 Ų752.4 Ų52.47%0.07228%0.279CS..Hα-helixtrans-56.6-53175.400000111.8I304 S305 V306 K310 Y311 L312I304-G308 PolarHBondContact O-N 3.47Å; S305-G308 PolarHBondContact O-N 3.18Å; V306-G308 VanDerWaalsContact C-N 3.33Å; G308-K310 PolarHBondContact O-N 3.37Å; G308-K310 VanDerWaalsContact O-N 3.14Å; G308-Y311 PolarHBondContact O-N 3.04Å; G308-L312 WeakPolarHBondContact O-CB 3.31Å; G308-L312 WeakPolarHBondContact O-CD1 2.95Å; G308-L312 WeakPolarHBondContact O-CG 3.2Å; G308-L312 PolarHBondContact O-N 2.92Å
309A78.1Confident77.5Confident12 Ų1258 Ų5810%0.09931%0.313CS..Hα-helixtrans-59.9-27.617900000113.5Y269 S305 V306 P313Y269-A309 HydrophobicContact CD1-CB 3.64Å; Y269-A309 HydrophobicContact CE1-CB 4.08Å; S305-A309 WeakPolarHBondContact O-CB 3.32Å; S305-A309 PolarHBondContact O-N 3.5Å; V306-A309 PolarHBondContact O-N 2.89Å; A309-P313 WeakPolarHBondContact O-CG 3.05Å
310K80.4Confident75.3Confident81 Ų8158.4 Ų58.435%0.35232%0.315SS..Hα-helixtrans-82.2-46.1177.8-179.1170.1175.8175.10113.4A259 Y269 V306 G307 G308A259-K310 HydrophobicContact CB-CD 4.11Å; A259-K310 PolarHBondContact O-NZ 3.47Å; Y269-K310 HydrophobicContact CE1-CB 4.47Å; V306-K310 PolarHBondContact O-N 3.27Å; G307-K310 PolarHBondContact O-N 3.05Å; G308-K310 PolarHBondContact O-N 3.37Å; G308-K310 VanDerWaalsContact O-N 3.14Å
311Y75.7Confident73.2Confident148 Ų14856.2 Ų56.258%0.5830%0.304SS*.Hα-helixtrans-101.6-32-167.7-62.6-70.8000114.1G307 G308 P313 G314 C315G307-Y311 WeakPolarHBondContact O-CD2 3.36Å; G307-Y311 PolarHBondContact O-N 2.97Å; G308-Y311 PolarHBondContact O-N 3.04Å; Y311-P313 VanDerWaalsContact C-CD 3.42Å; Y311-G314 PolarHBondContact O-N 3.44Å; Y311-C315 PolarHBondContact O-N 3.23Å
312L68.9Low71.4Confident24 Ų2457.4 Ų57.413%0.12631%0.31CS..Hα-helixtrans-62.5-37.6-178.3-71.6160.1000115.1G308 G314 C315 C316 Y330 L334G308-L312 WeakPolarHBondContact O-CB 3.31Å; G308-L312 WeakPolarHBondContact O-CD1 2.95Å; G308-L312 WeakPolarHBondContact O-CG 3.2Å; G308-L312 PolarHBondContact O-N 2.92Å; L312-G314 PolarHBondContact O-N 3.27Å; L312-C315 PolarHBondContact O-N 3.05Å; L312-C316 WeakPolarHBondContact O-CB 3.17Å; L312-C316 PolarHBondContact O-N 3.33Å; L312-Y330 HydrophobicContact CD1-CD1 3.4Å; L312-Y330 HydrophobicContact CD1-CE1 3.41Å; L312-Y330 VanDerWaalsContact CD1-CE1 3.41Å; L312-Y330 HydrophobicContact CD2-CD1 3.85Å; L312-Y330 HydrophobicContact CD2-CE1 3.2Å; L312-Y330 HydrophobicContact CG-CD1 4.24Å; L312-Y330 HydrophobicContact CG-CE1 3.95Å; L312-L334 HydrophobicContact CD1-CD1 4.33Å
313P64.8Low69.6Low31 Ų3158.2 Ų58.220%0.20132%0.315CS..Hα-helixtrans-56.6-37.2179.7-22.629.7000112.9A309 Y311 N317 I327A309-P313 WeakPolarHBondContact O-CG 3.05Å; Y311-P313 VanDerWaalsContact C-CD 3.42Å; P313-N317 WeakPolarHBondContact O-CB 3.43Å; P313-I327 HydrophobicContact CB-CD1 4Å; P313-I327 HydrophobicContact CG-CD1 3.71Å
314G60.2Low67.9Low48 Ų4860.2 Ų60.250%0.49532%0.322SS..Hα-helixtrans-75-43.3178.700000113.1Y311 L312 R318Y311-G314 PolarHBondContact O-N 3.44Å; L312-G314 PolarHBondContact O-N 3.27Å; G314-R318 VanDerWaalsContact O-CB 3.31Å; G314-R318 WeakPolarHBondContact O-CB 3.46Å; G314-R318 PolarHBondContact O-N 3.07Å
315C60.6Low66.1Low80 Ų8058 Ų5854%0.54131%0.312SS..Hα-helixtrans-74.1-50.7-178.5-71.50000112.6Y311 L312 N317 R318 V319Y311-C315 PolarHBondContact O-N 3.23Å; L312-C315 PolarHBondContact O-N 3.05Å; C315-N317 PolarHBondContact O-N 3.46Å; C315-R318 PolarHBondContact O-N 3.19Å; C315-V319 WeakPolarHBondContact O-CB 3.11Å; C315-V319 WeakPolarHBondContact O-CG2 3.26Å; C315-V319 PolarHBondContact O-N 3.26Å
316C57.1Low64.5Low13 Ų1358 Ų589%0.08831%0.312CS..Hα-helixtrans-68.1-35.8-175.7-73.20000112.6L312 L320 G321 I322L312-C316 WeakPolarHBondContact O-CB 3.17Å; L312-C316 PolarHBondContact O-N 3.33Å; C316-L320 CarbonylContact O-C 3.59Å; C316-L320 WeakPolarHBondContact O-CA 3.5Å; C316-L320 WeakPolarHBondContact O-CB 3.31Å; C316-L320 PolarHBondContact O-N 3.01Å; C316-G321 PolarHBondContact O-N 2.98Å; C316-I322 HydrophobicContact CB-CB 4.48Å; C316-I322 PolarHBondContact O-N 3.29Å
317N59.7Low63.2Low106 Ų10659.1 Ų59.157%0.56732%0.318SS*.Hα-helixtrans-70.8-37.3177.8-164.321.4000111.7P313 C315P313-N317 WeakPolarHBondContact O-CB 3.43Å; C315-N317 PolarHBondContact O-N 3.46Å
318R53.6Low62.2Low226 Ų22659.4 Ų59.485%0.85331%0.312SS*.Hα-helixtrans-77.5-36.2-179.3-167-178.3-69.4-177.3-1.8113.3G314 C315G314-R318 VanDerWaalsContact O-CB 3.31Å; G314-R318 WeakPolarHBondContact O-CB 3.46Å; G314-R318 PolarHBondContact O-N 3.07Å; C315-R318 PolarHBondContact O-N 3.19Å
319V53.2Low61.5Low117 Ų11759.1 Ų59.171%0.70931%0.31SS*.Hα-helixtrans-101.5-43.8-172.6-177.90000112.6C315C315-V319 WeakPolarHBondContact O-CB 3.11Å; C315-V319 WeakPolarHBondContact O-CG2 3.26Å; C315-V319 PolarHBondContact O-N 3.26Å
320L52.1Low61.2Low87 Ų8761.5 Ų61.546%0.45532%0.316SS..THydrogen-bonded Turntrans-103.6-12.8-173.3-62.8169.9000113C316 I322C316-L320 CarbonylContact O-C 3.59Å; C316-L320 WeakPolarHBondContact O-CA 3.5Å; C316-L320 WeakPolarHBondContact O-CB 3.31Å; C316-L320 PolarHBondContact O-N 3.01Å; L320-I322 HydrophobicContact CB-CD1 3.62Å; L320-I322 HydrophobicContact CB-CG1 3.83Å; L320-I322 HydrophobicContact CD1-CD1 3.85Å; L320-I322 HydrophobicContact CG-CD1 4.36Å; L320-I322 PolarHBondContact O-N 2.97Å
321G52.5Low61.1Low12 Ų1257.7 Ų57.712%0.12430%0.3CS..  trans64.723.9-17800000113.9K189 C316K189-G321 VanDerWaalsContact CE-O 3.24Å; K189-G321 WeakPolarHBondContact CE-O 3.42Å; C316-G321 PolarHBondContact O-N 2.98Å
322I56.3Low61.2Low24 Ų2450.9 Ų50.912%0.12327%0.273CS..  trans-82.6127.8-178.8-63.5166.1000109.3L181 C316 L320L181-I322 HydrophobicContact CD1-CD1 4.14Å; L181-I322 HydrophobicContact CD1-CG2 3.93Å; L181-I322 HydrophobicContact CD2-CD1 4.46Å; C316-I322 HydrophobicContact CB-CB 4.48Å; C316-I322 PolarHBondContact O-N 3.29Å; L320-I322 HydrophobicContact CB-CD1 3.62Å; L320-I322 HydrophobicContact CB-CG1 3.83Å; L320-I322 HydrophobicContact CD1-CD1 3.85Å; L320-I322 HydrophobicContact CG-CD1 4.36Å; L320-I322 PolarHBondContact O-N 2.97Å
323P57.2Low61.8Low18 Ų1849.9 Ų49.912%0.11727%0.268CS..  trans-66.2152.9-178.6-24.137.2000113.8K133 S325 S326K133-P323 VanDerWaalsContact NZ-CB 3.32Å; K133-P323 VanDerWaalsContact NZ-CG 3.31Å; P323-S325 PolarHBondContact O-N 3.35Å; P323-S325 VanDerWaalsContact O-N 3.11Å; P323-S326 PolarHBondContact O-N 3.04Å
324H56.6Low62.8Low133 Ų13351.1 Ų51.162%0.61627%0.273SS*.G310 helixtrans-57.1-28.3179.6-159.983.3000113.6S326 I327H324-S326 PolarHBondContact O-N 3.41Å; H324-I327 HydrophobicContact CB-CD1 4.21Å; H324-I327 WeakPolarHBondContact CE1-CD1 3.47Å; H324-I327 VanDerWaalsContact CG-CD1 3.49Å; H324-I327 WeakPolarHBondContact ND1-CD1 3.48Å; H324-I327 VanDerWaalsContact O-CD1 3.25Å; H324-I327 WeakPolarHBondContact O-CD1 3.4Å; H324-I327 VanDerWaalsContact O-CG1 3.29Å; H324-I327 WeakPolarHBondContact O-CG1 3.38Å; H324-I327 PolarHBondContact O-N 3.49Å
325S54.8Low64.3Low18 Ų1849 Ų4913%0.12625%0.25CS..G310 helixtrans-61.6-23.3176.566.60000113.5K133 P323K133-S325 WeakPolarHBondContact CE-OG 3.4Å; K133-S325 PolarHBondContact NZ-OG 2.92Å; P323-S325 PolarHBondContact O-N 3.35Å; P323-S325 VanDerWaalsContact O-N 3.11Å
326S57.2Low65.6Low1 Ų145.4 Ų45.41%0.00723%0.227CC..G310 helixtrans-93.76.1-174.3-45.10000113.8A129 P323 H324 M328 G329 Y330A129-S326 PolarHBondContact O-OG 3.32Å; P323-S326 PolarHBondContact O-N 3.04Å; H324-S326 PolarHBondContact O-N 3.41Å; S326-M328 PolarHBondContact O-N 3.04Å; S326-G329 PolarHBondContact O-N 2.98Å; S326-Y330 PolarHBondContact O-N 2.84Å; S326-Y330 VanDerWaalsContact O-N 3.13Å
327I61.8Low67.2Low30 Ų3046.7 Ų46.715%0.15423%0.232CC..Hα-helixtrans-65.2-37.6-177.8-69163.5000112.1P313 H324 Y330 N331P313-I327 HydrophobicContact CB-CD1 4Å; P313-I327 HydrophobicContact CG-CD1 3.71Å; H324-I327 HydrophobicContact CB-CD1 4.21Å; H324-I327 WeakPolarHBondContact CE1-CD1 3.47Å; H324-I327 VanDerWaalsContact CG-CD1 3.49Å; H324-I327 WeakPolarHBondContact ND1-CD1 3.48Å; H324-I327 VanDerWaalsContact O-CD1 3.25Å; H324-I327 WeakPolarHBondContact O-CD1 3.4Å; H324-I327 VanDerWaalsContact O-CG1 3.29Å; H324-I327 WeakPolarHBondContact O-CG1 3.38Å; H324-I327 PolarHBondContact O-N 3.49Å; I327-Y330 PolarHBondContact O-N 2.93Å; I327-N331 PolarHBondContact O-N 3.27Å
328M64.7Low68.8Low31 Ų3143.3 Ų43.315%0.15321%0.214CC..Hα-helixtrans-62.5-47.6177.6-169.965.583.800110.7H271 S326 Y330 N331 F332H271-M328 WeakPolarHBondContact ND1-CE 3.39Å; S326-M328 PolarHBondContact O-N 3.04Å; M328-Y330 VanDerWaalsContact C-N 3.28Å; M328-Y330 PolarHBondContact O-N 3.43Å; M328-N331 PolarHBondContact O-N 3.45Å; M328-N331 VanDerWaalsContact O-N 3.1Å; M328-F332 HydrophobicContact CG-CD2 3.99Å; M328-F332 HydrophobicContact CG-CE2 3.82Å; M328-F332 VanDerWaalsContact O-CD2 3.31Å; M328-F332 WeakPolarHBondContact O-CD2 3.32Å; M328-F332 PolarHBondContact O-N 3.38Å; M328-F332 HydrophobicContact SD-CD2 4.06Å; M328-F332 HydrophobicContact SD-CE2 3.66Å
329G65.8Low70.5Confident2 Ų232.5 Ų32.52%0.02117%0.174CC..Hα-helixtrans-57.4-39.9175.400000112.6A177 S326 F332 S333A177-G329 WeakPolarHBondContact CB-O 3.49Å; S326-G329 PolarHBondContact O-N 2.98Å; G329-F332 PolarHBondContact O-N 3.25Å; G329-S333 PolarHBondContact O-N 2.87Å
330Y71.9Confident72.3Confident61 Ų6127.1 Ų27.124%0.23914%0.141CC..Hα-helixtrans-66.2-40.6175.1-172.2-81.9000113L181 L312 S326 I327 M328 F332 S333 L334L181-Y330 HydrophobicContact CD2-CD2 4.24Å; L312-Y330 HydrophobicContact CD1-CD1 3.4Å; L312-Y330 HydrophobicContact CD1-CE1 3.41Å; L312-Y330 VanDerWaalsContact CD1-CE1 3.41Å; L312-Y330 HydrophobicContact CD2-CD1 3.85Å; L312-Y330 HydrophobicContact CD2-CE1 3.2Å; L312-Y330 HydrophobicContact CG-CD1 4.24Å; L312-Y330 HydrophobicContact CG-CE1 3.95Å; S326-Y330 PolarHBondContact O-N 2.84Å; S326-Y330 VanDerWaalsContact O-N 3.13Å; I327-Y330 PolarHBondContact O-N 2.93Å; M328-Y330 VanDerWaalsContact C-N 3.28Å; M328-Y330 PolarHBondContact O-N 3.43Å; Y330-F332 VanDerWaalsContact C-N 3.35Å; Y330-S333 WeakPolarHBondContact O-CB 3.45Å; Y330-S333 PolarHBondContact O-N 3.33Å; Y330-L334 HydrophobicContact CD1-CD1 3.96Å; Y330-L334 HydrophobicContact CD1-CG 4.1Å; Y330-L334 HydrophobicContact CE1-CD1 3.39Å; Y330-L334 HydrophobicContact CE1-CD2 4.22Å; Y330-L334 HydrophobicContact CE1-CG 3.62Å; Y330-L334 PolarHBondContact O-N 2.9Å
331N77.9Confident74.2Confident2 Ų227.3 Ų27.31%0.01114%0.141CC..Hα-helixtrans-62.2-43.2174.5-81.6-21.1000111.3S272 I327 M328 S333 L334 L335S272-N331 PolarHBondContact OG-ND2 3.3Å; I327-N331 PolarHBondContact O-N 3.27Å; M328-N331 PolarHBondContact O-N 3.45Å; M328-N331 VanDerWaalsContact O-N 3.1Å; N331-S333 VanDerWaalsContact C-N 3.29Å; N331-S333 PolarHBondContact O-N 3.17Å; N331-L334 PolarHBondContact O-N 3.32Å; N331-L335 WeakPolarHBondContact O-CB 3.07Å; N331-L335 WeakPolarHBondContact O-CD1 3.5Å; N331-L335 WeakPolarHBondContact O-CG 3.34Å; N331-L335 PolarHBondContact O-N 3.47Å
332F78.3Confident76.1Confident4 Ų428.6 Ų28.62%0.01815%0.145CC..Hα-helixtrans-61.2-38174.2-86.1-119.2000111.8I125 Y173 A177 W220 V279 M328 G329 Y330 G336I125-F332 HydrophobicContact CG2-CD1 3.91Å; I125-F332 HydrophobicContact CG2-CE1 4.49Å; Y173-F332 HydrophobicContact CD1-CD1 4.37Å; A177-F332 HydrophobicContact CB-CB 4.36Å; W220-F332 HydrophobicContact CH2-CE1 4.07Å; W220-F332 HydrophobicContact CH2-CZ 4.11Å; V279-F332 HydrophobicContact CG2-CD1 3.86Å; V279-F332 HydrophobicContact CG2-CE1 3.72Å; V279-F332 HydrophobicContact CG2-CG 4.38Å; V279-F332 HydrophobicContact CG2-CZ 4.13Å; M328-F332 HydrophobicContact CG-CD2 3.99Å; M328-F332 HydrophobicContact CG-CE2 3.82Å; M328-F332 VanDerWaalsContact O-CD2 3.31Å; M328-F332 WeakPolarHBondContact O-CD2 3.32Å; M328-F332 PolarHBondContact O-N 3.38Å; M328-F332 HydrophobicContact SD-CD2 4.06Å; M328-F332 HydrophobicContact SD-CE2 3.66Å; G329-F332 PolarHBondContact O-N 3.25Å; Y330-F332 VanDerWaalsContact C-N 3.35Å; F332-G336 PolarHBondContact O-N 3.47Å
333S81.1Confident77.7Confident3 Ų328.9 Ų28.92%0.02115%0.145CC..Hα-helixtrans-60.9-49.7174.5178.30000112.6Y178 G329 Y330 N331 L335 G336 L337Y178-S333 WeakPolarHBondContact CE2-OG 3.36Å; Y178-S333 VanDerWaalsContact CZ-OG 3.23Å; Y178-S333 PolarHBondContact OH-OG 3.45Å; G329-S333 PolarHBondContact O-N 2.87Å; Y330-S333 WeakPolarHBondContact O-CB 3.45Å; Y330-S333 PolarHBondContact O-N 3.33Å; N331-S333 VanDerWaalsContact C-N 3.29Å; N331-S333 PolarHBondContact O-N 3.17Å; S333-L335 VanDerWaalsContact C-N 3.35Å; S333-L335 PolarHBondContact O-N 2.79Å; S333-G336 PolarHBondContact O-N 3.42Å; S333-L337 WeakPolarHBondContact O-CG 3.44Å; S333-L337 PolarHBondContact O-N 2.95Å
334L86.4Confident79.2Confident58 Ų5829.3 Ų29.330%0.30415%0.146SC..Hα-helixtrans-62.6-42.9179.7-77.9-178.6000112I304 L312 Y330 N331 L337 L338I304-L334 HydrophobicContact CG2-CD1 4.49Å; L312-L334 HydrophobicContact CD1-CD1 4.33Å; Y330-L334 HydrophobicContact CD1-CD1 3.96Å; Y330-L334 HydrophobicContact CD1-CG 4.1Å; Y330-L334 HydrophobicContact CE1-CD1 3.39Å; Y330-L334 HydrophobicContact CE1-CD2 4.22Å; Y330-L334 HydrophobicContact CE1-CG 3.62Å; Y330-L334 PolarHBondContact O-N 2.9Å; N331-L334 PolarHBondContact O-N 3.32Å; L334-L337 PolarHBondContact O-N 2.72Å; L334-L338 PolarHBondContact O-N 3.28Å
335L90.8Very high80.8Confident3 Ų328.1 Ų28.12%0.01614%0.14CC..Hα-helixtrans-70.8-37.9-179.2-65.8169.4000111.9A276 V279 A280 A301 I304 N331 S333 L338 G339A276-L335 HydrophobicContact CB-CD1 3.52Å; A276-L335 HydrophobicContact CB-CD2 4.04Å; A276-L335 HydrophobicContact CB-CG 4.44Å; V279-L335 HydrophobicContact CB-CB 4.01Å; V279-L335 HydrophobicContact CB-CD1 4.44Å; V279-L335 HydrophobicContact CG1-CB 3.72Å; A280-L335 HydrophobicContact CB-CD2 4.49Å; A301-L335 HydrophobicContact CB-CD2 3.76Å; I304-L335 HydrophobicContact CG2-CD2 4.5Å; N331-L335 WeakPolarHBondContact O-CB 3.07Å; N331-L335 WeakPolarHBondContact O-CD1 3.5Å; N331-L335 WeakPolarHBondContact O-CG 3.34Å; N331-L335 PolarHBondContact O-N 3.47Å; S333-L335 VanDerWaalsContact C-N 3.35Å; S333-L335 PolarHBondContact O-N 2.79Å; L335-L338 WeakPolarHBondContact O-CB 3.1Å; L335-L338 PolarHBondContact O-N 3.04Å; L335-G339 PolarHBondContact O-N 3.18Å
336G88.4Confident82.5Confident4 Ų428.4 Ų28.44%0.04114%0.14CC..Hα-helixtrans-59.5-49.1172.200000111.1F332 S333 L338 G339 E340F332-G336 PolarHBondContact O-N 3.47Å; S333-G336 PolarHBondContact O-N 3.42Å; G336-L338 VanDerWaalsContact C-N 3.32Å; G336-L338 PolarHBondContact O-N 2.91Å; G336-G339 PolarHBondContact O-N 2.93Å; G336-G339 VanDerWaalsContact O-N 3.08Å; G336-E340 WeakPolarHBondContact O-CG 3.45Å; G336-E340 PolarHBondContact O-N 3.2Å
337L90.7Very high83.9Confident40 Ų4029.4 Ų29.421%0.20915%0.145CC..Hα-helixtrans-60.2-40.3175.9-76-179.1000112.9V174 Y178 S333 L334 G339 E340 I341 L370 I374V174-L337 HydrophobicContact CG1-CD2 4.19Å; V174-L337 HydrophobicContact CG2-CD2 4.22Å; V174-L337 HydrophobicContact CG2-CG 4.47Å; Y178-L337 HydrophobicContact CE2-CD1 4.24Å; Y178-L337 HydrophobicContact CE2-CD2 4.41Å; Y178-L337 HydrophobicContact CE2-CG 4.29Å; Y178-L337 WeakPolarHBondContact OH-CD1 3.31Å; S333-L337 WeakPolarHBondContact O-CG 3.44Å; S333-L337 PolarHBondContact O-N 2.95Å; L334-L337 PolarHBondContact O-N 2.72Å; L337-G339 VanDerWaalsContact C-N 3.28Å; L337-G339 PolarHBondContact O-N 2.74Å; L337-E340 PolarHBondContact O-N 2.93Å; L337-I341 VanDerWaalsContact O-CG1 3.31Å; L337-I341 WeakPolarHBondContact O-CG1 3.42Å; L337-I341 PolarHBondContact O-N 3.37Å; L337-L370 HydrophobicContact CD2-CD1 4.48Å; L337-I374 HydrophobicContact CD2-CD1 4.19Å
338L92.8Very high85.1Confident35 Ų3530.1 Ų30.118%0.18315%0.151CC..Hα-helixtrans-57.9-44.4174178.966.2000110.8A280 L297 V300 A301 I304 L334 L335 G336 I341 I342A280-L338 HydrophobicContact CB-CD2 4.23Å; L297-L338 HydrophobicContact CD1-CD2 3.82Å; L297-L338 HydrophobicContact CD1-CG 4.02Å; V300-L338 HydrophobicContact CG1-CD2 4.37Å; A301-L338 HydrophobicContact CB-CD2 4.43Å; I304-L338 HydrophobicContact CD1-CD2 3.89Å; L334-L338 PolarHBondContact O-N 3.28Å; L335-L338 WeakPolarHBondContact O-CB 3.1Å; L335-L338 PolarHBondContact O-N 3.04Å; G336-L338 VanDerWaalsContact C-N 3.32Å; G336-L338 PolarHBondContact O-N 2.91Å; L338-I341 PolarHBondContact O-N 3.17Å; L338-I342 WeakPolarHBondContact O-CG1 3.36Å; L338-I342 PolarHBondContact O-N 2.89Å; L338-I342 VanDerWaalsContact O-N 3.07Å
339G90.6Very high86.2Confident0 Ų034.4 Ų34.40%017%0.174CC..Hα-helixtrans-61.7-42.6177.400000113.6A280 T283 L335 G336 L337 I342 Y343A280-G339 WeakPolarHBondContact O-CA 3.27Å; T283-G339 PolarHBondContact OG1-O 2.76Å; L335-G339 PolarHBondContact O-N 3.18Å; G336-G339 PolarHBondContact O-N 2.93Å; G336-G339 VanDerWaalsContact O-N 3.08Å; L337-G339 VanDerWaalsContact C-N 3.28Å; L337-G339 PolarHBondContact O-N 2.74Å; G339-I342 PolarHBondContact O-N 3.45Å; G339-Y343 WeakPolarHBondContact O-CB 3.17Å; G339-Y343 PolarHBondContact O-N 2.73Å
340E90.3Very high87Confident4 Ų439.3 Ų39.32%0.01920%0.2CC..Hα-helixtrans-61.9-42.8176-63.1-69.517900112.6H171 V174 T283 G336 L337 Y343 I344 L370H171-E340 WeakPolarHBondContact CA-OE1 3.47Å; H171-E340 IonicContact CE1-OE1 3.63Å; H171-E340 IonicContact CE1-OE2 3.38Å; H171-E340 PolarHBondContact CE1-OE2 3.33Å; H171-E340 IonicContact CG-OE1 3.66Å; H171-E340 IonicContact ND1-OE1 2.71Å; H171-E340 PolarHBondContact ND1-OE1 3.36Å; H171-E340 IonicContact ND1-OE2 3.28Å; H171-E340 PolarHBondContact ND1-OE2 3.04Å; V174-E340 HydrophobicContact CG2-CG 3.92Å; T283-E340 WeakPolarHBondContact CG2-OE1 3.34Å; T283-E340 PolarHBondContact OG1-N 3.02Å; G336-E340 WeakPolarHBondContact O-CG 3.45Å; G336-E340 PolarHBondContact O-N 3.2Å; L337-E340 PolarHBondContact O-N 2.93Å; E340-Y343 WeakPolarHBondContact O-CB 3.38Å; E340-Y343 PolarHBondContact O-N 3Å; E340-I344 WeakPolarHBondContact O-CG1 3.39Å; E340-I344 PolarHBondContact O-N 3.13Å; E340-L370 HydrophobicContact CB-CD1 4.3Å; E340-L370 HydrophobicContact CB-CD2 3.95Å; E340-L370 HydrophobicContact CG-CD1 3.75Å; E340-L370 HydrophobicContact CG-CD2 4.34Å
341I91.5Very high87.5Confident91 Ų9136.8 Ų36.847%0.46719%0.19SC..Hα-helixtrans-61.8-47.1177-67.3164.6000110L337 L338 Y343 I344 E345L337-I341 VanDerWaalsContact O-CG1 3.31Å; L337-I341 WeakPolarHBondContact O-CG1 3.42Å; L337-I341 PolarHBondContact O-N 3.37Å; L338-I341 PolarHBondContact O-N 3.17Å; I341-Y343 VanDerWaalsContact C-N 3.29Å; I341-Y343 PolarHBondContact O-N 3.33Å; I341-I344 PolarHBondContact O-N 3.32Å; I341-E345 WeakPolarHBondContact O-CG 3.32Å; I341-E345 PolarHBondContact O-N 3.14Å
342I92.2Very high87.8Confident38 Ų3840.8 Ų40.820%0.19522%0.215CC..Hα-helixtrans-63.8-37.1177.6-63.3-63.2000111.4L297 L338 G339 E345 L346L297-I342 HydrophobicContact CD1-CG1 4.05Å; L297-I342 HydrophobicContact CD2-CB 4.42Å; L297-I342 HydrophobicContact CD2-CG1 4.23Å; L297-I342 HydrophobicContact CD2-CG2 4.08Å; L338-I342 WeakPolarHBondContact O-CG1 3.36Å; L338-I342 PolarHBondContact O-N 2.89Å; L338-I342 VanDerWaalsContact O-N 3.07Å; G339-I342 PolarHBondContact O-N 3.45Å; I342-E345 PolarHBondContact O-N 3.34Å; I342-L346 HydrophobicContact CG2-CD1 3.85Å; I342-L346 HydrophobicContact CG2-CG 4.2Å; I342-L346 WeakPolarHBondContact O-CB 3.44Å; I342-L346 VanDerWaalsContact O-CG 3.28Å; I342-L346 WeakPolarHBondContact O-CG 3.1Å; I342-L346 PolarHBondContact O-N 3.28Å
343Y91Very high87.7Confident31 Ų3143.9 Ų43.912%0.12225%0.248CC..Hα-helixtrans-59.9-47.7174.6171.6-100.4000111.4M170 L287 G339 E340 I341 E345 L346 L347M170-Y343 HydrophobicContact CE-CD1 4.45Å; M170-Y343 HydrophobicContact CE-CD2 3.57Å; M170-Y343 HydrophobicContact CE-CE1 4.2Å; M170-Y343 HydrophobicContact CE-CE2 3.26Å; M170-Y343 HydrophobicContact CE-CG 4.17Å; M170-Y343 HydrophobicContact SD-CE2 4.43Å; L287-Y343 HydrophobicContact CD1-CD2 3.63Å; L287-Y343 HydrophobicContact CD1-CE2 3.38Å; L287-Y343 HydrophobicContact CG-CE2 4.32Å; G339-Y343 WeakPolarHBondContact O-CB 3.17Å; G339-Y343 PolarHBondContact O-N 2.73Å; E340-Y343 WeakPolarHBondContact O-CB 3.38Å; E340-Y343 PolarHBondContact O-N 3Å; I341-Y343 VanDerWaalsContact C-N 3.29Å; I341-Y343 PolarHBondContact O-N 3.33Å; Y343-E345 PolarHBondContact O-N 2.92Å; Y343-L346 PolarHBondContact O-N 3.41Å; Y343-L347 HydrophobicContact CE1-CD2 4.42Å; Y343-L347 WeakPolarHBondContact O-CB 3.48Å; Y343-L347 PolarHBondContact O-N 3.03Å
344I89.4Confident87.7Confident27 Ų2747.4 Ų47.414%0.13828%0.278CS..Hα-helixtrans-62.2-42.8177.5-65.7165.5000110.8E340 I341 L347 V348 V363 I367E340-I344 WeakPolarHBondContact O-CG1 3.39Å; E340-I344 PolarHBondContact O-N 3.13Å; I341-I344 PolarHBondContact O-N 3.32Å; I344-L347 WeakPolarHBondContact O-CB 3.31Å; I344-L347 PolarHBondContact O-N 3.22Å; I344-V348 WeakPolarHBondContact O-CG2 3.48Å; I344-V348 PolarHBondContact O-N 3.14Å; I344-V363 HydrophobicContact CG2-CG1 4.11Å; I344-V363 HydrophobicContact CG2-CG2 4.41Å; I344-I367 HydrophobicContact CD1-CG1 3.84Å
345E89.9Confident87.2Confident107 Ų10747.9 Ų47.950%0.530%0.297SS..Hα-helixtrans-61.2-45.5176.6-74-178.1177.300112.3I341 I342 Y343 L347 V348 L349I341-E345 WeakPolarHBondContact O-CG 3.32Å; I341-E345 PolarHBondContact O-N 3.14Å; I342-E345 PolarHBondContact O-N 3.34Å; Y343-E345 PolarHBondContact O-N 2.92Å; E345-L347 VanDerWaalsContact C-N 3.35Å; E345-V348 PolarHBondContact O-N 3.2Å; E345-L349 WeakPolarHBondContact O-CG 3.28Å; E345-L349 PolarHBondContact O-N 3.2Å
346L89.3Confident86.4Confident24 Ų2450.9 Ų50.913%0.12631%0.312CS..Hα-helixtrans-66.2-38177.5-70.7172.4000112L287 I288 I342 Y343 V348 L349 D350L287-L346 HydrophobicContact CB-CB 4.21Å; L287-L346 HydrophobicContact CB-CD1 4.15Å; L287-L346 HydrophobicContact CD1-CB 4.41Å; I288-L346 HydrophobicContact CB-CD1 4.5Å; I288-L346 HydrophobicContact CG1-CD1 3.57Å; I342-L346 HydrophobicContact CG2-CD1 3.85Å; I342-L346 HydrophobicContact CG2-CG 4.2Å; I342-L346 WeakPolarHBondContact O-CB 3.44Å; I342-L346 VanDerWaalsContact O-CG 3.28Å; I342-L346 WeakPolarHBondContact O-CG 3.1Å; I342-L346 PolarHBondContact O-N 3.28Å; Y343-L346 PolarHBondContact O-N 3.41Å; L346-V348 VanDerWaalsContact C-N 3.33Å; L346-V348 PolarHBondContact O-N 3.21Å; L346-L349 HydrophobicContact CD2-CD1 4.49Å; L346-L349 PolarHBondContact O-N 3.11Å; L346-D350 WeakPolarHBondContact O-CB 3.2Å; L346-D350 PolarHBondContact O-N 3.35Å
347L87.7Confident85.6Confident22 Ų2254.4 Ų54.412%0.11535%0.349CS..Hα-helixtrans-60.7-43.3174.2-175.869.9000110.9Y343 I344 E345 D350 T351 Q362 S366Y343-L347 HydrophobicContact CE1-CD2 4.42Å; Y343-L347 WeakPolarHBondContact O-CB 3.48Å; Y343-L347 PolarHBondContact O-N 3.03Å; I344-L347 WeakPolarHBondContact O-CB 3.31Å; I344-L347 PolarHBondContact O-N 3.22Å; E345-L347 VanDerWaalsContact C-N 3.35Å; L347-D350 PolarHBondContact O-N 2.67Å; L347-T351 HydrophobicContact CD1-CG2 4.36Å; L347-T351 HydrophobicContact CG-CG2 4.47Å; L347-T351 WeakPolarHBondContact O-CB 3.49Å; L347-T351 WeakPolarHBondContact O-CG2 3.34Å; L347-T351 PolarHBondContact O-N 3.11Å; L347-T351 PolarHBondContact O-OG1 3.39Å; L347-Q362 HydrophobicContact CD2-CB 4.28Å; L347-S366 WeakPolarHBondContact CD2-OG 3.49Å
348V87.3Confident85Confident46 Ų4657.3 Ų57.328%0.27936%0.363SS..Hα-helixtrans-61.8-44.8174.9171.60000111.2I344 E345 L346 T351 V352 I359 V363I344-V348 WeakPolarHBondContact O-CG2 3.48Å; I344-V348 PolarHBondContact O-N 3.14Å; E345-V348 PolarHBondContact O-N 3.2Å; L346-V348 VanDerWaalsContact C-N 3.33Å; L346-V348 PolarHBondContact O-N 3.21Å; V348-T351 WeakPolarHBondContact CA-OG1 3.47Å; V348-T351 PolarHBondContact O-N 3.47Å; V348-T351 PolarHBondContact O-OG1 2.79Å; V348-V352 HydrophobicContact CG1-CG2 4.26Å; V348-V352 WeakPolarHBondContact O-CB 3.29Å; V348-V352 WeakPolarHBondContact O-CG2 3.49Å; V348-V352 PolarHBondContact O-N 3.49Å; V348-I359 HydrophobicContact CG1-CG2 4.13Å; V348-I359 HydrophobicContact CG2-CG2 4.22Å; V348-V363 HydrophobicContact CG2-CG2 3.26Å
349L86.5Confident84.5Confident120 Ų12058 Ų5863%0.62837%0.366SS*.Hα-helixtrans-63.8-43.3-179.8-71.9171000112.4E345 L346 G353E345-L349 WeakPolarHBondContact O-CG 3.28Å; E345-L349 PolarHBondContact O-N 3.2Å; L346-L349 HydrophobicContact CD2-CD1 4.49Å; L346-L349 PolarHBondContact O-N 3.11Å; L349-G353 PolarHBondContact O-N 3.11Å
350D84.1Confident84Confident106 Ų10660.7 Ų60.757%0.56739%0.394SS*.Hα-helixtrans-65.2-43.7178.7-170.360.7000111.6L346 L347 G353 A354L346-D350 WeakPolarHBondContact O-CB 3.2Å; L346-D350 PolarHBondContact O-N 3.35Å; L347-D350 PolarHBondContact O-N 2.67Å; D350-G353 PolarHBondContact O-N 3.42Å; D350-A354 WeakPolarHBondContact O-CB 3.42Å; D350-A354 PolarHBondContact O-N 3.38Å
351T81.9Confident83.6Confident7 Ų765.7 Ų65.74%0.04342%0.416CS..Hα-helixtrans-69.7-37.3-178.454.10000112.9L347 V348 G355 N356 I359L347-T351 HydrophobicContact CD1-CG2 4.36Å; L347-T351 HydrophobicContact CG-CG2 4.47Å; L347-T351 WeakPolarHBondContact O-CB 3.49Å; L347-T351 WeakPolarHBondContact O-CG2 3.34Å; L347-T351 PolarHBondContact O-N 3.11Å; L347-T351 PolarHBondContact O-OG1 3.39Å; V348-T351 WeakPolarHBondContact CA-OG1 3.47Å; V348-T351 PolarHBondContact O-N 3.47Å; V348-T351 PolarHBondContact O-OG1 2.79Å; T351-G355 PolarHBondContact O-N 2.87Å; T351-N356 PolarHBondContact O-N 2.9Å; T351-N356 VanDerWaalsContact O-N 3.11Å; T351-I359 WeakPolarHBondContact OG1-CG1 3.21Å
352V82.6Confident83.1Confident86 Ų8664 Ų6452%0.52141%0.406SS..Hα-helixtrans-63.9-45.8169.4171.30000110.6V348 A354 G355 I359V348-V352 HydrophobicContact CG1-CG2 4.26Å; V348-V352 WeakPolarHBondContact O-CB 3.29Å; V348-V352 WeakPolarHBondContact O-CG2 3.49Å; V348-V352 PolarHBondContact O-N 3.49Å; V352-A354 VanDerWaalsContact C-N 3.27Å; V352-A354 PolarHBondContact O-N 3.1Å; V352-G355 PolarHBondContact O-N 2.98Å; V352-I359 HydrophobicContact CB-CD1 4.38Å; V352-I359 HydrophobicContact CG2-CD1 3.43Å; V352-I359 VanDerWaalsContact CG2-CD1 3.43Å; V352-I359 HydrophobicContact CG2-CG1 4.09Å
353G77.5Confident82.8Confident70 Ų7063.7 Ų63.772%0.72241%0.406SS*.Hα-helixtrans-61.2-34.5178.700000113.3L349 D350 G355L349-G353 PolarHBondContact O-N 3.11Å; D350-G353 PolarHBondContact O-N 3.42Å; G353-G355 PolarHBondContact O-N 3.14Å
354A80.3Confident82.6Confident77 Ų7767.8 Ų67.864%0.63643%0.429SS*.THydrogen-bonded Turntrans-76.6-4.5175.300000114.1D350 V352 N356D350-A354 WeakPolarHBondContact O-CB 3.42Å; D350-A354 PolarHBondContact O-N 3.38Å; V352-A354 VanDerWaalsContact C-N 3.27Å; V352-A354 PolarHBondContact O-N 3.1Å; A354-N356 PolarHBondContact O-N 3.3Å
355G75.5Confident82.4Confident68 Ų6868.7 Ų68.770%0.70143%0.434SS*.THydrogen-bonded Turntrans67.522.5-176.900000113.7T351 V352 G353T351-G355 PolarHBondContact O-N 2.87Å; V352-G355 PolarHBondContact O-N 2.98Å; G353-G355 PolarHBondContact O-N 3.14Å
356N74.9Confident82.3Confident65 Ų6564 Ų6435%0.34841%0.413SS..  trans-82.7123.2-177.7-170.60.2000110.7T351 A354 M358 I359T351-N356 PolarHBondContact O-N 2.9Å; T351-N356 VanDerWaalsContact O-N 3.11Å; A354-N356 PolarHBondContact O-N 3.3Å; N356-M358 PolarHBondContact O-N 2.97Å; N356-M358 PolarHBondContact OD1-N 3.1Å; N356-I359 WeakPolarHBondContact O-CD1 3.34Å; N356-I359 WeakPolarHBondContact O-CG1 3.29Å
357G70.8Confident82.3Confident79 Ų7966.5 Ų66.581%0.81443%0.426SS*.THydrogen-bonded Turntrans-72.6-4.217900000115
358M78.6Confident82.3Confident101 Ų10166.6 Ų66.650%0.49843%0.432SS..THydrogen-bonded Turntrans-92.415.8-174.9-67.5-177.467.400115.1N356 G360 F361 Q362N356-M358 PolarHBondContact O-N 2.97Å; N356-M358 PolarHBondContact OD1-N 3.1Å; M358-G360 VanDerWaalsContact C-N 3.3Å; M358-G360 PolarHBondContact O-N 3.29Å; M358-F361 HydrophobicContact CE-CD1 3.67Å; M358-F361 HydrophobicContact CE-CE1 4.21Å; M358-F361 HydrophobicContact CE-CG 4.3Å; M358-F361 WeakPolarHBondContact O-CB 3.25Å; M358-F361 PolarHBondContact O-N 3.38Å; M358-Q362 PolarHBondContact O-N 3.37Å; M358-Q362 VanDerWaalsContact O-N 3.11Å
359I82.2Confident82.4Confident49 Ų4965.2 Ų65.225%0.25142%0.422SS..Hα-helixtrans-49.7-49.2-178.4-61.6148.2000111.8V348 T351 V352 N356 F361 Q362 V363V348-I359 HydrophobicContact CG1-CG2 4.13Å; V348-I359 HydrophobicContact CG2-CG2 4.22Å; T351-I359 WeakPolarHBondContact OG1-CG1 3.21Å; V352-I359 HydrophobicContact CB-CD1 4.38Å; V352-I359 HydrophobicContact CG2-CD1 3.43Å; V352-I359 VanDerWaalsContact CG2-CD1 3.43Å; V352-I359 HydrophobicContact CG2-CG1 4.09Å; N356-I359 WeakPolarHBondContact O-CD1 3.34Å; N356-I359 WeakPolarHBondContact O-CG1 3.29Å; I359-F361 VanDerWaalsContact C-N 3.26Å; I359-F361 PolarHBondContact O-N 3Å; I359-Q362 PolarHBondContact O-N 3.06Å; I359-V363 HydrophobicContact CG2-CG2 4.35Å; I359-V363 WeakPolarHBondContact O-CG2 3.44Å; I359-V363 PolarHBondContact O-N 3.11Å
360G80Confident82.6Confident56 Ų5660.5 Ų60.558%0.57740%0.398SS*.Hα-helixtrans-61.7-34.1-178.200000113.4M358 L364M358-G360 VanDerWaalsContact C-N 3.3Å; M358-G360 PolarHBondContact O-N 3.29Å; G360-L364 VanDerWaalsContact O-CB 3.31Å; G360-L364 WeakPolarHBondContact O-CB 3.3Å; G360-L364 PolarHBondContact O-N 3.37Å; G360-L364 VanDerWaalsContact O-N 3.14Å
361F82.3Confident82.9Confident109 Ų10958.3 Ų58.348%0.47839%0.391SS..Hα-helixtrans-71.7-45.6177.2-177.1-108.1000111.3M358 I359 V363 L364 L365M358-F361 HydrophobicContact CE-CD1 3.67Å; M358-F361 HydrophobicContact CE-CE1 4.21Å; M358-F361 HydrophobicContact CE-CG 4.3Å; M358-F361 WeakPolarHBondContact O-CB 3.25Å; M358-F361 PolarHBondContact O-N 3.38Å; I359-F361 VanDerWaalsContact C-N 3.26Å; I359-F361 PolarHBondContact O-N 3Å; F361-V363 PolarHBondContact O-N 3.07Å; F361-L364 WeakPolarHBondContact O-CB 3.4Å; F361-L364 PolarHBondContact O-N 3.13Å; F361-L365 HydrophobicContact CD1-CD1 3.98Å; F361-L365 HydrophobicContact CD1-CG 4.39Å; F361-L365 HydrophobicContact CE1-CD1 3.51Å; F361-L365 HydrophobicContact CE1-CD2 4.39Å; F361-L365 HydrophobicContact CE1-CG 4.11Å; F361-L365 HydrophobicContact CE2-CD2 4.2Å; F361-L365 HydrophobicContact CZ-CD1 3.91Å; F361-L365 HydrophobicContact CZ-CD2 3.95Å; F361-L365 HydrophobicContact CZ-CG 4.17Å; F361-L365 WeakPolarHBondContact O-CG 3.49Å; F361-L365 PolarHBondContact O-N 3.46Å
362Q81.5Confident83.4Confident56 Ų5660.1 Ų60.126%0.26240%0.4SS..Hα-helixtrans-63.6-42.5179.2-73.9174-5700112.5L347 M358 I359 L364 L365 S366L347-Q362 HydrophobicContact CD2-CB 4.28Å; M358-Q362 PolarHBondContact O-N 3.37Å; M358-Q362 VanDerWaalsContact O-N 3.11Å; I359-Q362 PolarHBondContact O-N 3.06Å; Q362-L364 VanDerWaalsContact C-N 3.33Å; Q362-L364 PolarHBondContact O-N 3.44Å; Q362-L365 PolarHBondContact O-N 2.98Å; Q362-S366 PolarHBondContact O-N 3.23Å; Q362-S366 PolarHBondContact O-OG 3.38Å
363V86.1Confident83.9Confident32 Ų3256 Ų5619%0.19438%0.375CS..Hα-helixtrans-61-43.4174.31730000111.3I344 V348 I359 F361 L365 S366 I367I344-V363 HydrophobicContact CG2-CG1 4.11Å; I344-V363 HydrophobicContact CG2-CG2 4.41Å; V348-V363 HydrophobicContact CG2-CG2 3.26Å; I359-V363 HydrophobicContact CG2-CG2 4.35Å; I359-V363 WeakPolarHBondContact O-CG2 3.44Å; I359-V363 PolarHBondContact O-N 3.11Å; F361-V363 PolarHBondContact O-N 3.07Å; V363-L365 VanDerWaalsContact C-N 3.3Å; V363-L365 PolarHBondContact O-N 3.06Å; V363-S366 PolarHBondContact O-N 2.7Å; V363-I367 HydrophobicContact CG1-CD1 3.63Å; V363-I367 HydrophobicContact CG1-CG1 4.32Å; V363-I367 WeakPolarHBondContact O-CB 3.38Å; V363-I367 VanDerWaalsContact O-CG1 3.31Å; V363-I367 WeakPolarHBondContact O-CG1 3.42Å; V363-I367 PolarHBondContact O-N 2.9Å
364L86.9Confident84.6Confident117 Ų11754.4 Ų54.461%0.61335%0.35SS*.Hα-helixtrans-61.9-39.6177.9-175.267000111.6G360 F361 Q362 G368G360-L364 VanDerWaalsContact O-CB 3.31Å; G360-L364 WeakPolarHBondContact O-CB 3.3Å; G360-L364 PolarHBondContact O-N 3.37Å; G360-L364 VanDerWaalsContact O-N 3.14Å; F361-L364 WeakPolarHBondContact O-CB 3.4Å; F361-L364 PolarHBondContact O-N 3.13Å; Q362-L364 VanDerWaalsContact C-N 3.33Å; Q362-L364 PolarHBondContact O-N 3.44Å; L364-G368 PolarHBondContact O-N 3.16Å
365L85.6Confident85.3Confident46 Ų4654.7 Ų54.724%0.24134%0.343CS..Hα-helixtrans-63.7-51175.6-65.5-178.8000111.3F161 F361 Q362 V363 I367 G368 E369F161-L365 HydrophobicContact CD1-CB 3.88Å; F161-L365 HydrophobicContact CD1-CD2 3.47Å; F161-L365 VanDerWaalsContact CD1-CD2 3.47Å; F161-L365 HydrophobicContact CD1-CG 4.13Å; F161-L365 HydrophobicContact CE1-CB 4.23Å; F161-L365 HydrophobicContact CE1-CD2 3.78Å; F361-L365 HydrophobicContact CD1-CD1 3.98Å; F361-L365 HydrophobicContact CD1-CG 4.39Å; F361-L365 HydrophobicContact CE1-CD1 3.51Å; F361-L365 HydrophobicContact CE1-CD2 4.39Å; F361-L365 HydrophobicContact CE1-CG 4.11Å; F361-L365 HydrophobicContact CE2-CD2 4.2Å; F361-L365 HydrophobicContact CZ-CD1 3.91Å; F361-L365 HydrophobicContact CZ-CD2 3.95Å; F361-L365 HydrophobicContact CZ-CG 4.17Å; F361-L365 WeakPolarHBondContact O-CG 3.49Å; F361-L365 PolarHBondContact O-N 3.46Å; Q362-L365 PolarHBondContact O-N 2.98Å; V363-L365 VanDerWaalsContact C-N 3.3Å; V363-L365 PolarHBondContact O-N 3.06Å; L365-I367 PolarHBondContact O-N 2.8Å; L365-G368 CarbonylContact O-C 3.5Å; L365-G368 WeakPolarHBondContact O-CA 3.25Å; L365-G368 PolarHBondContact O-N 3.41Å; L365-E369 WeakPolarHBondContact O-CG 3.5Å; L365-E369 PolarHBondContact O-N 3.45Å
366S86.3Confident86.2Confident9 Ų953.1 Ų53.16%0.06332%0.318CS..Hα-helixtrans-61.8-40.2-179.5-58.10000113L347 Q362 V363 G368 E369 L370L347-S366 WeakPolarHBondContact CD2-OG 3.49Å; Q362-S366 PolarHBondContact O-N 3.23Å; Q362-S366 PolarHBondContact O-OG 3.38Å; V363-S366 PolarHBondContact O-N 2.7Å; S366-G368 VanDerWaalsContact C-N 3.32Å; S366-E369 PolarHBondContact O-N 2.95Å; S366-L370 WeakPolarHBondContact O-CB 3.34Å; S366-L370 PolarHBondContact O-N 2.95Å; S366-L370 VanDerWaalsContact O-N 3.07Å
367I88.9Confident87.2Confident76 Ų7650 Ų5039%0.3930%0.302SS..Hα-helixtrans-65.9-38.4173.7-66.9172000110.6I344 V363 L365 S371I344-I367 HydrophobicContact CD1-CG1 3.84Å; V363-I367 HydrophobicContact CG1-CD1 3.63Å; V363-I367 HydrophobicContact CG1-CG1 4.32Å; V363-I367 WeakPolarHBondContact O-CB 3.38Å; V363-I367 VanDerWaalsContact O-CG1 3.31Å; V363-I367 WeakPolarHBondContact O-CG1 3.42Å; V363-I367 PolarHBondContact O-N 2.9Å; L365-I367 PolarHBondContact O-N 2.8Å; I367-S371 VanDerWaalsContact O-CB 3.25Å; I367-S371 WeakPolarHBondContact O-CB 3.36Å; I367-S371 PolarHBondContact O-N 3.39Å; I367-S371 PolarHBondContact O-OG 3.35Å
368G89.6Confident88.3Confident24 Ų2449.4 Ų49.425%0.24728%0.279CS..Hα-helixtrans-61.5-46.3175.800000112.8L364 L365 S366 S371 L372L364-G368 PolarHBondContact O-N 3.16Å; L365-G368 CarbonylContact O-C 3.5Å; L365-G368 WeakPolarHBondContact O-CA 3.25Å; L365-G368 PolarHBondContact O-N 3.41Å; S366-G368 VanDerWaalsContact C-N 3.32Å; G368-S371 PolarHBondContact O-N 3.36Å; G368-L372 WeakPolarHBondContact O-CB 3.32Å; G368-L372 PolarHBondContact O-N 2.93Å
369E88.5Confident89.2Confident16 Ų1648.5 Ų48.58%0.07528%0.28CS..Hα-helixtrans-61.5-48.4176.6-68.3176.2157.100111.3I157 F161 T163 H171 L365 S366 S371 L372 A373I157-E369 HydrophobicContact CD1-CB 4.18Å; I157-E369 HydrophobicContact CD1-CG 4.44Å; I157-E369 HydrophobicContact CG1-CG 4.43Å; I157-E369 HydrophobicContact CG2-CG 3.92Å; I157-E369 WeakPolarHBondContact CG2-OE1 3.46Å; F161-E369 WeakPolarHBondContact CB-OE1 3.49Å; F161-E369 HydrophobicContact CD1-CG 3.79Å; F161-E369 HydrophobicContact CD2-CG 3.9Å; F161-E369 HydrophobicContact CE1-CG 3.91Å; F161-E369 HydrophobicContact CE2-CG 3.97Å; F161-E369 HydrophobicContact CG-CG 3.82Å; F161-E369 HydrophobicContact CZ-CG 3.99Å; T163-E369 WeakPolarHBondContact CG2-OE1 3.3Å; H171-E369 WeakPolarHBondContact NE2-CB 3.43Å; L365-E369 WeakPolarHBondContact O-CG 3.5Å; L365-E369 PolarHBondContact O-N 3.45Å; S366-E369 PolarHBondContact O-N 2.95Å; E369-S371 PolarHBondContact O-N 2.89Å; E369-L372 PolarHBondContact O-N 3.22Å; E369-A373 WeakPolarHBondContact O-CB 3.46Å; E369-A373 PolarHBondContact O-N 3.02Å
370L89.9Confident89.9Confident21 Ų2146.8 Ų46.811%0.1127%0.272CS..Hα-helixtrans-59.9-45.5176177.461000112.1V174 L337 E340 S366 L372 A373 I374V174-L370 HydrophobicContact CB-CD1 4.49Å; V174-L370 HydrophobicContact CG1-CD1 3.99Å; V174-L370 HydrophobicContact CG2-CD1 4.39Å; L337-L370 HydrophobicContact CD2-CD1 4.48Å; E340-L370 HydrophobicContact CB-CD1 4.3Å; E340-L370 HydrophobicContact CB-CD2 3.95Å; E340-L370 HydrophobicContact CG-CD1 3.75Å; E340-L370 HydrophobicContact CG-CD2 4.34Å; S366-L370 WeakPolarHBondContact O-CB 3.34Å; S366-L370 PolarHBondContact O-N 2.95Å; S366-L370 VanDerWaalsContact O-N 3.07Å; L370-L372 VanDerWaalsContact C-N 3.33Å; L370-L372 PolarHBondContact O-N 3.46Å; L370-A373 WeakPolarHBondContact O-CB 3.43Å; L370-A373 PolarHBondContact O-N 2.99Å; L370-I374 HydrophobicContact CD1-CD1 4.08Å; L370-I374 HydrophobicContact CD1-CG1 4.39Å; L370-I374 HydrophobicContact CG-CD1 4.08Å; L370-I374 WeakPolarHBondContact O-CG1 3.17Å; L370-I374 PolarHBondContact O-N 3.02Å
371S91.8Very high90.6Very high60 Ų6044.1 Ų44.142%0.4225%0.245SC..Hα-helixtrans-62.8-43179.8-60.80000111I367 G368 E369 I374 V375I367-S371 VanDerWaalsContact O-CB 3.25Å; I367-S371 WeakPolarHBondContact O-CB 3.36Å; I367-S371 PolarHBondContact O-N 3.39Å; I367-S371 PolarHBondContact O-OG 3.35Å; G368-S371 PolarHBondContact O-N 3.36Å; E369-S371 PolarHBondContact O-N 2.89Å; S371-I374 PolarHBondContact O-N 3.22Å; S371-V375 VanDerWaalsContact O-CG2 3.28Å; S371-V375 WeakPolarHBondContact O-CG2 3.34Å; S371-V375 PolarHBondContact O-N 2.95Å
372L92.2Very high91.2Very high45 Ų4542.2 Ų42.224%0.23624%0.239CC..Hα-helixtrans-63.1-43.5175.7-177.564.1000111.3L153 V156 I157 G368 E369 L370 I374 V375 I376L153-L372 HydrophobicContact CD1-CD2 4.25Å; L153-L372 HydrophobicContact CD1-CG 3.98Å; V156-L372 HydrophobicContact CG1-CD2 3.72Å; I157-L372 HydrophobicContact CG1-CD2 3.8Å; G368-L372 WeakPolarHBondContact O-CB 3.32Å; G368-L372 PolarHBondContact O-N 2.93Å; E369-L372 PolarHBondContact O-N 3.22Å; L370-L372 VanDerWaalsContact C-N 3.33Å; L370-L372 PolarHBondContact O-N 3.46Å; L372-I374 PolarHBondContact O-N 3.27Å; L372-V375 PolarHBondContact O-N 2.96Å; L372-I376 HydrophobicContact CD1-CD1 3.95Å; L372-I376 HydrophobicContact CD1-CG1 4.12Å; L372-I376 HydrophobicContact CG-CD1 4.07Å; L372-I376 HydrophobicContact CG-CG1 4.44Å; L372-I376 WeakPolarHBondContact O-CG1 3.21Å; L372-I376 PolarHBondContact O-N 3.42Å
373A92.3Very high91.9Very high0 Ų045.2 Ų45.20%026%0.256CS..Hα-helixtrans-58.4-45.9176.800000111.8L153 H171 E369 L370 A377L153-A373 HydrophobicContact CD1-CB 4.17Å; L153-A373 HydrophobicContact CD2-CB 3.8Å; H171-A373 HydrophobicContact CB-CB 3.75Å; E369-A373 WeakPolarHBondContact O-CB 3.46Å; E369-A373 PolarHBondContact O-N 3.02Å; L370-A373 WeakPolarHBondContact O-CB 3.43Å; L370-A373 PolarHBondContact O-N 2.99Å; A373-A377 WeakPolarHBondContact O-CB 3.4Å; A373-A377 PolarHBondContact O-N 3.3Å
374I93.2Very high92.3Very high37 Ų3743.8 Ų43.819%0.1925%0.247CC..Hα-helixtrans-63.9-45.6177-66.7167.5000110.8V174 Y178 L337 L370 S371 L372 I376 A377 L378V174-I374 HydrophobicContact CG1-CD1 4.18Å; V174-I374 HydrophobicContact CG1-CG1 3.63Å; Y178-I374 HydrophobicContact CD2-CG1 4.28Å; Y178-I374 HydrophobicContact CE2-CG1 4.35Å; L337-I374 HydrophobicContact CD2-CD1 4.19Å; L370-I374 HydrophobicContact CD1-CD1 4.08Å; L370-I374 HydrophobicContact CD1-CG1 4.39Å; L370-I374 HydrophobicContact CG-CD1 4.08Å; L370-I374 WeakPolarHBondContact O-CG1 3.17Å; L370-I374 PolarHBondContact O-N 3.02Å; S371-I374 PolarHBondContact O-N 3.22Å; L372-I374 PolarHBondContact O-N 3.27Å; I374-I376 PolarHBondContact O-N 3.48Å; I374-A377 PolarHBondContact O-N 3.46Å; I374-L378 HydrophobicContact CG2-CD1 3.78Å; I374-L378 HydrophobicContact CG2-CG 4.2Å; I374-L378 WeakPolarHBondContact O-CB 3.37Å; I374-L378 VanDerWaalsContact O-CG 3.28Å; I374-L378 WeakPolarHBondContact O-CG 3.41Å; I374-L378 PolarHBondContact O-N 3.29Å
375V95.3Very high92.6Very high83 Ų8338.2 Ų38.250%0.50322%0.218SC..Hα-helixtrans-61.7-46.6-180169.40000111.1S371 L372 T379S371-V375 VanDerWaalsContact O-CG2 3.28Å; S371-V375 WeakPolarHBondContact O-CG2 3.34Å; S371-V375 PolarHBondContact O-N 2.95Å; L372-V375 PolarHBondContact O-N 2.96Å; V375-T379 HydrophobicContact CG1-CG2 4.38Å; V375-T379 WeakPolarHBondContact O-CB 3.32Å; V375-T379 VanDerWaalsContact O-CG2 3.27Å; V375-T379 WeakPolarHBondContact O-CG2 3.47Å; V375-T379 PolarHBondContact O-N 3.12Å; V375-T379 PolarHBondContact O-OG1 3.32Å
376I94.6Very high92.9Very high35 Ų3541.1 Ų41.118%0.17923%0.234CC..Hα-helixtrans-65.6-42.2177.8-63.4-174.3000110.3A149 L153 F175 L372 I374 T379 S380A149-I376 HydrophobicContact CB-CG2 4.38Å; L153-I376 HydrophobicContact CB-CD1 4.14Å; L153-I376 HydrophobicContact CD1-CD1 3.81Å; F175-I376 HydrophobicContact CE2-CB 4.47Å; F175-I376 HydrophobicContact CE2-CG2 4.03Å; L372-I376 HydrophobicContact CD1-CD1 3.95Å; L372-I376 HydrophobicContact CD1-CG1 4.12Å; L372-I376 HydrophobicContact CG-CD1 4.07Å; L372-I376 HydrophobicContact CG-CG1 4.44Å; L372-I376 WeakPolarHBondContact O-CG1 3.21Å; L372-I376 PolarHBondContact O-N 3.42Å; I374-I376 PolarHBondContact O-N 3.48Å; I376-T379 WeakPolarHBondContact CA-OG1 3.44Å; I376-T379 PolarHBondContact O-OG1 3.07Å; I376-S380 VanDerWaalsContact O-CB 3.27Å; I376-S380 WeakPolarHBondContact O-CB 3.44Å; I376-S380 PolarHBondContact O-N 3.02Å; I376-S380 PolarHBondContact O-OG 3.15Å
377A94.6Very high93.2Very high0 Ų043.8 Ų43.80%025%0.247CC..Hα-helixtrans-59-48.9177.100000112.4F175 F179 A373 I374 G381F175-A377 HydrophobicContact CD2-CB 3.63Å; F175-A377 HydrophobicContact CE2-CB 3.97Å; F175-A377 HydrophobicContact CG-CB 4.17Å; F175-A377 WeakPolarHBondContact O-CB 3.34Å; F179-A377 HydrophobicContact CB-CB 4.34Å; A373-A377 WeakPolarHBondContact O-CB 3.4Å; A373-A377 PolarHBondContact O-N 3.3Å; I374-A377 PolarHBondContact O-N 3.46Å; A377-G381 WeakPolarHBondContact O-CA 3.41Å; A377-G381 PolarHBondContact O-N 3.41Å
378L94.9Very high93.3Very high65 Ų6540.2 Ų40.234%0.3423%0.228SC..Hα-helixtrans-65.4-48179.6-68.7175.7000111.5Y178 S182 I374 G381 L382Y178-L378 HydrophobicContact CD1-CD2 3.9Å; Y178-L378 HydrophobicContact CG-CD2 4.45Å; S182-L378 WeakPolarHBondContact OG-CD2 3.29Å; I374-L378 HydrophobicContact CG2-CD1 3.78Å; I374-L378 HydrophobicContact CG2-CG 4.2Å; I374-L378 WeakPolarHBondContact O-CB 3.37Å; I374-L378 VanDerWaalsContact O-CG 3.28Å; I374-L378 WeakPolarHBondContact O-CG 3.41Å; I374-L378 PolarHBondContact O-N 3.29Å; L378-G381 PolarHBondContact O-N 3.45Å; L378-L382 VanDerWaalsContact O-CB 3.31Å; L378-L382 WeakPolarHBondContact O-CB 3.49Å; L378-L382 WeakPolarHBondContact O-CG 3.47Å; L378-L382 PolarHBondContact O-N 3.46Å
379T96.1Very high93.2Very high82 Ų8242.6 Ų42.650%0.50324%0.236SC..Hα-helixtrans-66.6-48.2-17751.80000112.2V375 I376 L382 L383V375-T379 HydrophobicContact CG1-CG2 4.38Å; V375-T379 WeakPolarHBondContact O-CB 3.32Å; V375-T379 VanDerWaalsContact O-CG2 3.27Å; V375-T379 WeakPolarHBondContact O-CG2 3.47Å; V375-T379 PolarHBondContact O-N 3.12Å; V375-T379 PolarHBondContact O-OG1 3.32Å; I376-T379 WeakPolarHBondContact CA-OG1 3.44Å; I376-T379 PolarHBondContact O-OG1 3.07Å; T379-L382 PolarHBondContact O-N 2.98Å; T379-L383 WeakPolarHBondContact O-CB 3.28Å; T379-L383 PolarHBondContact O-N 3.48Å
380S96.4Very high93.1Very high14 Ų1445.7 Ų45.710%0.09825%0.252CS..Hα-helixtrans-68.8-35.5177.363.60000112.1F179 I376 L383 T384F179-S380 VanDerWaalsContact CD2-OG 3.3Å; F179-S380 WeakPolarHBondContact CD2-OG 3.21Å; F179-S380 WeakPolarHBondContact CE2-OG 3.35Å; I376-S380 VanDerWaalsContact O-CB 3.27Å; I376-S380 WeakPolarHBondContact O-CB 3.44Å; I376-S380 PolarHBondContact O-N 3.02Å; I376-S380 PolarHBondContact O-OG 3.15Å; S380-L383 PolarHBondContact O-N 3.06Å; S380-T384 VanDerWaalsContact O-CB 3.29Å; S380-T384 WeakPolarHBondContact O-CB 3.42Å; S380-T384 PolarHBondContact O-N 2.88Å; S380-T384 PolarHBondContact O-OG1 3.42Å
381G95.7Very high92.6Very high0 Ų054.5 Ų54.50%029%0.29CS..Hα-helixtrans-67-41.5175.300000112.7F179 V183 A377 L378 T384 G385F179-G381 VanDerWaalsContact CD2-CA 3.47Å; V183-G381 VanDerWaalsContact CG2-O 3.27Å; V183-G381 WeakPolarHBondContact CG2-O 3.35Å; A377-G381 WeakPolarHBondContact O-CA 3.41Å; A377-G381 PolarHBondContact O-N 3.41Å; L378-G381 PolarHBondContact O-N 3.45Å; G381-T384 PolarHBondContact O-N 2.94Å; G381-G385 PolarHBondContact O-N 3.37Å
382L94.7Very high92.1Very high69 Ų6957.9 Ų57.936%0.36130%0.302SS..Hα-helixtrans-63.4-46.7173.2-75.4171.5000111.5L378 T379 T384 G385 L386L378-L382 VanDerWaalsContact O-CB 3.31Å; L378-L382 WeakPolarHBondContact O-CB 3.49Å; L378-L382 WeakPolarHBondContact O-CG 3.47Å; L378-L382 PolarHBondContact O-N 3.46Å; T379-L382 PolarHBondContact O-N 2.98Å; L382-T384 VanDerWaalsContact C-N 3.3Å; L382-T384 PolarHBondContact O-N 2.9Å; L382-G385 PolarHBondContact O-N 3.43Å; L382-L386 WeakPolarHBondContact O-CG 3.46Å; L382-L386 PolarHBondContact O-N 2.67Å
383L95.5Very high91.4Very high119 Ų11958.4 Ų58.462%0.62330%0.301SS*.Hα-helixtrans-59.2-44.7176.8-177.466.4000111.2T379 S380 L386 L387T379-L383 WeakPolarHBondContact O-CB 3.28Å; T379-L383 PolarHBondContact O-N 3.48Å; S380-L383 PolarHBondContact O-N 3.06Å; L383-L386 PolarHBondContact O-N 3.36Å; L383-L387 WeakPolarHBondContact O-CB 3.45Å; L383-L387 PolarHBondContact O-N 3.42Å
384T95.7Very high90.6Very high1 Ų163.8 Ų63.81%0.00632%0.324CS..Hα-helixtrans-62.1-48176.2-57.60000110.5M142 V145 F179 V183 S380 G381 L382 L386 L387 L388M142-T384 HydrophobicContact CB-CG2 4.46Å; M142-T384 HydrophobicContact CG-CG2 4.37Å; V145-T384 WeakPolarHBondContact CG1-OG1 3.4Å; F179-T384 HydrophobicContact CE1-CG2 4.49Å; F179-T384 HydrophobicContact CZ-CG2 3.98Å; F179-T384 WeakPolarHBondContact CZ-OG1 3.45Å; V183-T384 HydrophobicContact CG2-CG2 3.98Å; S380-T384 VanDerWaalsContact O-CB 3.29Å; S380-T384 WeakPolarHBondContact O-CB 3.42Å; S380-T384 PolarHBondContact O-N 2.88Å; S380-T384 PolarHBondContact O-OG1 3.42Å; G381-T384 PolarHBondContact O-N 2.94Å; L382-T384 VanDerWaalsContact C-N 3.3Å; L382-T384 PolarHBondContact O-N 2.9Å; T384-L386 VanDerWaalsContact C-N 3.34Å; T384-L386 PolarHBondContact O-N 3.09Å; T384-L387 CarbonylContact O-C 3.56Å; T384-L387 WeakPolarHBondContact O-CB 3.48Å; T384-L387 PolarHBondContact O-N 3.49Å; T384-L387 VanDerWaalsContact O-N 3.1Å; T384-L388 HydrophobicContact CG2-CD1 4.06Å; T384-L388 HydrophobicContact CG2-CG 4.07Å; T384-L388 WeakPolarHBondContact O-CB 3.31Å; T384-L388 VanDerWaalsContact O-CG 3.26Å; T384-L388 WeakPolarHBondContact O-CG 3.41Å; T384-L388 PolarHBondContact O-N 2.89Å
385G92.2Very high89.7Confident0 Ų064.3 Ų64.30%033%0.334CS..Hα-helixtrans-56.2-45177.200000113.2C186 G381 L382 L388 N389C186-G385 VanDerWaalsContact CB-C 3.41Å; G381-G385 PolarHBondContact O-N 3.37Å; L382-G385 PolarHBondContact O-N 3.43Å; G385-L388 PolarHBondContact O-N 3.11Å; G385-N389 WeakPolarHBondContact O-CB 3.41Å; G385-N389 PolarHBondContact O-N 2.98Å
386L92.8Very high88.6Confident108 Ų10861.1 Ų61.157%0.56532%0.315SS*.Hα-helixtrans-63.1-43.1174.7-68.7173.7000112L382 L383 T384 N389L382-L386 WeakPolarHBondContact O-CG 3.46Å; L382-L386 PolarHBondContact O-N 2.67Å; L383-L386 PolarHBondContact O-N 3.36Å; T384-L386 VanDerWaalsContact C-N 3.34Å; T384-L386 PolarHBondContact O-N 3.09Å; L386-N389 PolarHBondContact O-N 3.26Å
387L93Very high87.5Confident64 Ų6465.7 Ų65.734%0.33534%0.335SS..Hα-helixtrans-62.3-44.4176.8-178.266.5000111.5V141 L383 T384 N389 L390 W393V141-L387 HydrophobicContact CG1-CD2 3.48Å; V141-L387 VanDerWaalsContact CG1-CD2 3.48Å; V141-L387 HydrophobicContact CG1-CG 4.29Å; L383-L387 WeakPolarHBondContact O-CB 3.45Å; L383-L387 PolarHBondContact O-N 3.42Å; T384-L387 CarbonylContact O-C 3.56Å; T384-L387 WeakPolarHBondContact O-CB 3.48Å; T384-L387 PolarHBondContact O-N 3.49Å; T384-L387 VanDerWaalsContact O-N 3.1Å; L387-N389 VanDerWaalsContact C-N 3.28Å; L387-N389 PolarHBondContact O-N 3Å; L387-L390 HydrophobicContact CD1-CD1 3.9Å; L387-L390 WeakPolarHBondContact O-CB 3.3Å; L387-L390 VanDerWaalsContact O-CG 3.27Å; L387-L390 WeakPolarHBondContact O-CG 3.26Å; L387-L390 PolarHBondContact O-N 3.02Å; L387-W393 PolarHBondContact O-NE1 3.44Å
388L90.1Very high86.3Confident1 Ų168.9 Ų68.91%0.00535%0.35CS..Hα-helixtrans-69.3-26.5179.6-64.7-169.7000112.5Q138 V141 M142 V183 L187 T384 G385 L390Q138-L388 HydrophobicContact CB-CD1 4.33Å; Q138-L388 HydrophobicContact CB-CD2 3.83Å; Q138-L388 HydrophobicContact CB-CG 4.49Å; Q138-L388 HydrophobicContact CG-CD2 4.14Å; Q138-L388 PolarHBondContact NE2-O 3.46Å; Q138-L388 WeakPolarHBondContact O-CD2 3.3Å; V141-L388 HydrophobicContact CB-CD2 3.89Å; V141-L388 HydrophobicContact CG1-CD2 3.91Å; M142-L388 HydrophobicContact CB-CD1 4.36Å; V183-L388 HydrophobicContact CG1-CD1 3.82Å; L187-L388 HydrophobicContact CD2-CB 4.26Å; T384-L388 HydrophobicContact CG2-CD1 4.06Å; T384-L388 HydrophobicContact CG2-CG 4.07Å; T384-L388 WeakPolarHBondContact O-CB 3.31Å; T384-L388 VanDerWaalsContact O-CG 3.26Å; T384-L388 WeakPolarHBondContact O-CG 3.41Å; T384-L388 PolarHBondContact O-N 2.89Å; G385-L388 PolarHBondContact O-N 3.11Å; L388-L390 PolarHBondContact O-N 3.26Å
389N87.9Confident84.7Confident75 Ų7569.5 Ų69.540%0.40136%0.364SS..THydrogen-bonded Turntrans-75-6.7176.7-16115.4000113.3C186 G385 L386 L387 K391C186-N389 PolarHBondContact O-ND2 3.34Å; C186-N389 VanDerWaalsContact O-ND2 3.17Å; G385-N389 WeakPolarHBondContact O-CB 3.41Å; G385-N389 PolarHBondContact O-N 2.98Å; L386-N389 PolarHBondContact O-N 3.26Å; L387-N389 VanDerWaalsContact C-N 3.28Å; L387-N389 PolarHBondContact O-N 3Å; N389-K391 PolarHBondContact O-N 3.45Å
390L86.4Confident83.3Confident81 Ų8169.2 Ų69.242%0.42436%0.356SS..SBendtrans-65.4136.3175.4-61.8179.5000111.5L387 L388 I392 W393L387-L390 HydrophobicContact CD1-CD1 3.9Å; L387-L390 WeakPolarHBondContact O-CB 3.3Å; L387-L390 VanDerWaalsContact O-CG 3.27Å; L387-L390 WeakPolarHBondContact O-CG 3.26Å; L387-L390 PolarHBondContact O-N 3.02Å; L388-L390 PolarHBondContact O-N 3.26Å; L390-I392 HydrophobicContact CD1-CD1 4.47Å; L390-I392 PolarHBondContact O-N 3.45Å; L390-W393 PolarHBondContact O-N 2.9Å
391K79.4Confident82.2Confident205 Ų20569.6 Ų69.689%0.89136%0.356SS*.G310 helixtrans-63.6-11.2-178.3-66.5-176.6179.1176.70114.7N389 W393 K394N389-K391 PolarHBondContact O-N 3.45Å; K391-W393 PolarHBondContact O-N 3.23Å; K391-K394 PolarHBondContact O-N 2.74Å
392I80.6Confident81.1Confident132 Ų13271.9 Ų71.968%0.67737%0.366SS*.G310 helixtrans-62.2-35-179.7-57.6168000110.7L390 K394L390-I392 HydrophobicContact CD1-CD1 4.47Å; L390-I392 PolarHBondContact O-N 3.45Å; I392-K394 PolarHBondContact O-N 3.16Å
393W78.1Confident80.2Confident56 Ų5669.8 Ų69.821%0.21236%0.355CS..G310 helixtrans-75.5-8.5-174-54.2115.1000114.4N135 A137 Q138 V141 L387 L390 K391 A395N135-W393 PolarHBondContact ND2-O 2.61Å; A137-W393 HydrophobicContact CB-CE3 4.45Å; Q138-W393 HydrophobicContact CG-CB 3.66Å; Q138-W393 HydrophobicContact CG-CG 4.01Å; V141-W393 HydrophobicContact CG2-CE3 4.44Å; V141-W393 HydrophobicContact CG2-CH2 3.49Å; V141-W393 VanDerWaalsContact CG2-CH2 3.49Å; V141-W393 HydrophobicContact CG2-CZ2 3.9Å; V141-W393 HydrophobicContact CG2-CZ3 3.78Å; L387-W393 PolarHBondContact O-NE1 3.44Å; L390-W393 PolarHBondContact O-N 2.9Å; K391-W393 PolarHBondContact O-N 3.23Å; W393-A395 VanDerWaalsContact C-N 3.31Å; W393-A395 PolarHBondContact O-N 2.81Å
394K75Confident79.4Confident113 Ų11364.2 Ų64.249%0.49133%0.326SS..  trans51.451.2-177.2-55.8173.5-174.8167.90111.4N135 K391 I392N135-K394 PolarHBondContact ND2-O 3.35Å; K391-K394 PolarHBondContact O-N 2.74Å; I392-K394 PolarHBondContact O-N 3.16Å
395A75.3Confident78.6Confident48 Ų4868.8 Ų68.840%0.39735%0.347SS..PPolyproline II helixtrans-51.7148.917600000111.2W393W393-A395 VanDerWaalsContact C-N 3.31Å; W393-A395 PolarHBondContact O-N 2.81Å
396P70.9Confident77.7Confident16 Ų1670 Ų7010%0.10436%0.355CS..PPolyproline II helixtrans-57.9146.1174.424.2-30.4000109.9K133 Y401K133-P396 VanDerWaalsContact O-CG 3.28Å; K133-P396 WeakPolarHBondContact O-CG 3.41Å; P396-Y401 HydrophobicContact CB-CD1 4.33Å; P396-Y401 HydrophobicContact CB-CE1 4.45Å; P396-Y401 HydrophobicContact CG-CD1 4.09Å; P396-Y401 HydrophobicContact CG-CE1 4.01Å; P396-Y401 WeakPolarHBondContact O-CE1 3.5Å
397H72.6Confident76.9Confident130 Ų13068 Ų6860%0.60234%0.341SS*.PPolyproline II helixtrans-67.9142.2174.6-166.9-76.8000109A399 K400H397-A399 PolarHBondContact ND1-N 3.23Å; H397-A399 PolarHBondContact O-N 2.85Å; H397-A399 VanDerWaalsContact O-N 3.1Å; H397-K400 WeakPolarHBondContact O-CA 3.17Å; H397-K400 PolarHBondContact O-N 3.39Å
398E69.6Low76.3Confident68 Ų6868.9 Ų68.932%0.31834%0.34SS..G310 helixtrans-52.2-38.2-176-67.6169.5-170.800113.2P188 L191 K400 Y401P188-E398 HydrophobicContact CB-CG 4.23Å; P188-E398 WeakPolarHBondContact CB-OE1 3.43Å; L191-E398 HydrophobicContact CD1-CB 3.61Å; L191-E398 WeakPolarHBondContact CD1-OE2 3.31Å; E398-K400 PolarHBondContact O-N 3.24Å; E398-K400 VanDerWaalsContact O-N 3.1Å; E398-Y401 HydrophobicContact CB-CE2 4.19Å; E398-Y401 HydrophobicContact CG-CE2 3.96Å; E398-Y401 PolarHBondContact O-N 3.12Å
399A60.7Low75.8Confident77 Ų7778.7 Ų78.764%0.63638%0.383SS*.G310 helixtrans-64-6.4174.300000115.8H397H397-A399 PolarHBondContact ND1-N 3.23Å; H397-A399 PolarHBondContact O-N 2.85Å; H397-A399 VanDerWaalsContact O-N 3.1Å
400K66.1Low75.2Confident76 Ų7678.9 Ų78.933%0.3338%0.38SS..G310 helixtrans-125.318.8177.8-62.3-162.4175.7-160.20112.6H397 E398 D403 V406H397-K400 WeakPolarHBondContact O-CA 3.17Å; H397-K400 PolarHBondContact O-N 3.39Å; E398-K400 PolarHBondContact O-N 3.24Å; E398-K400 VanDerWaalsContact O-N 3.1Å; K400-D403 PolarHBondContact O-N 2.91Å; K400-V406 HydrophobicContact CB-CG2 3.85Å; K400-V406 HydrophobicContact CD-CG2 3.84Å
401Y74.9Confident73.9Confident22 Ų2280.3 Ų80.39%0.08639%0.394CS..THydrogen-bonded Turntrans-60.7146.6170.9-71.2-10.9000110.3G132 K133 P188 P190 P396 E398 D403G132-Y401 WeakPolarHBondContact O-CA 3.43Å; K133-Y401 HydrophobicContact CB-CD1 4.46Å; K133-Y401 HydrophobicContact CB-CD2 4.38Å; K133-Y401 HydrophobicContact CB-CE1 4.24Å; K133-Y401 HydrophobicContact CB-CE2 4.17Å; K133-Y401 HydrophobicContact CD-CD2 4.38Å; K133-Y401 HydrophobicContact CD-CE2 4.15Å; K133-Y401 HydrophobicContact CG-CD2 3.81Å; K133-Y401 HydrophobicContact CG-CE2 3.89Å; K133-Y401 HydrophobicContact CG-CG 4.19Å; P188-Y401 PolarHBondContact O-OH 2.96Å; P190-Y401 HydrophobicContact CB-CD2 4.46Å; P190-Y401 HydrophobicContact CG-CD2 4.44Å; P396-Y401 HydrophobicContact CB-CD1 4.33Å; P396-Y401 HydrophobicContact CB-CE1 4.45Å; P396-Y401 HydrophobicContact CG-CD1 4.09Å; P396-Y401 HydrophobicContact CG-CE1 4.01Å; P396-Y401 WeakPolarHBondContact O-CE1 3.5Å; E398-Y401 HydrophobicContact CB-CE2 4.19Å; E398-Y401 HydrophobicContact CG-CE2 3.96Å; E398-Y401 PolarHBondContact O-N 3.12Å; Y401-D403 VanDerWaalsContact C-N 3.25Å; Y401-D403 PolarHBondContact O-N 3.34Å
402F72Confident72.5Confident48 Ų4879.5 Ų79.521%0.21139%0.393CS..THydrogen-bonded Turntrans61.825.2-178.7-45.8-84.5000115F69 R71 H72 L131 G132 K133F69-F402 AromaticContact CD1-CD1 3.9Å; F69-F402 HydrophobicContact CD1-CD1 3.9Å; F69-F402 HydrophobicContact CD1-CE1 4.43Å; F69-F402 HydrophobicContact CD1-CG 4.42Å; F69-F402 HydrophobicContact CD2-CD1 4.15Å; F69-F402 AromaticContact CE1-CD1 3.94Å; F69-F402 HydrophobicContact CE1-CD1 3.94Å; F69-F402 HydrophobicContact CE1-CE1 4.01Å; F69-F402 HydrophobicContact CE2-CD1 4.18Å; F69-F402 HydrophobicContact CE2-CE1 4.1Å; F69-F402 HydrophobicContact CG-CD1 4.01Å; F69-F402 HydrophobicContact CZ-CD1 4.09Å; F69-F402 AromaticContact CZ-CE1 3.83Å; F69-F402 HydrophobicContact CZ-CE1 3.83Å; R71-F402 CarbonylContact C-O 3.6Å; R71-F402 VanDerWaalsContact C-O 3.3Å; R71-F402 WeakPolarHBondContact CB-O 3.36Å; H72-F402 HydrophobicContact CB-CB 4.44Å; L131-F402 WeakPolarHBondContact O-CE1 3.34Å; G132-F402 PolarHBondContact O-N 2.93Å; K133-F402 HydrophobicContact CG-CZ 4.33Å
403D75.6Confident71.2Confident25 Ų2580.5 Ų80.513%0.13440%0.399CS..  trans-119.5109-180-171.22000113R71 K400 Y401 Q405 V406R71-D403 CarbonylContact O-C 3.56Å; K400-D403 PolarHBondContact O-N 2.91Å; Y401-D403 VanDerWaalsContact C-N 3.25Å; Y401-D403 PolarHBondContact O-N 3.34Å; D403-Q405 PolarHBondContact O-N 3.18Å; D403-Q405 VanDerWaalsContact OD1-CB 3.27Å; D403-Q405 WeakPolarHBondContact OD1-CB 3.5Å; D403-Q405 VanDerWaalsContact OD1-CG 3.31Å; D403-Q405 WeakPolarHBondContact OD1-CG 3.03Å; D403-Q405 PolarHBondContact OD1-N 3.14Å; D403-V406 HydrophobicContact CB-CG2 4.49Å; D403-V406 WeakPolarHBondContact O-CB 3.32Å; D403-V406 WeakPolarHBondContact O-CG2 3.46Å; D403-V406 PolarHBondContact O-N 2.98Å
404D79Confident69.5Low3 Ų380 Ų802%0.01641%0.408CS..G310 helixtrans-62.1-23.9177.3-81.6-27.9000111.6R71 H72 S73 W74 S75 V406 F407 W408 F410R71-D404 WeakPolarHBondContact O-CA 3.37Å; R71-D404 WeakPolarHBondContact O-CB 3.42Å; R71-D404 PolarHBondContact O-N 3.08Å; H72-D404 VanDerWaalsContact CA-CG 3.42Å; H72-D404 WeakPolarHBondContact CA-OD1 3.37Å; H72-D404 VanDerWaalsContact CA-OD2 3.28Å; H72-D404 WeakPolarHBondContact CA-OD2 3.29Å; H72-D404 IonicContact CD2-OD1 4Å; S73-D404 PolarHBondContact N-OD2 2.9Å; S73-D404 VanDerWaalsContact N-OD2 3.09Å; W74-D404 WeakPolarHBondContact CB-OD2 3.33Å; W74-D404 PolarHBondContact N-OD2 2.98Å; S75-D404 WeakPolarHBondContact CB-OD1 3.34Å; S75-D404 PolarHBondContact N-OD1 3.46Å; S75-D404 PolarHBondContact OG-OD1 2.82Å; D404-V406 PolarHBondContact O-N 3.31Å; D404-F407 PolarHBondContact O-N 3.5Å; D404-W408 HydrophobicContact CB-CG 4.44Å; D404-W408 WeakPolarHBondContact O-CB 3.3Å; D404-W408 PolarHBondContact O-N 3.15Å; D404-F410 HydrophobicContact CB-CE2 3.72Å; D404-F410 HydrophobicContact CB-CZ 3.61Å
405Q77.6Confident68Low96 Ų9681.3 Ų81.345%0.44942%0.424SS..G310 helixtrans-61.8-16179.2-63.8-174.25.400112.6D403 F407 F410D403-Q405 PolarHBondContact O-N 3.18Å; D403-Q405 VanDerWaalsContact OD1-CB 3.27Å; D403-Q405 WeakPolarHBondContact OD1-CB 3.5Å; D403-Q405 VanDerWaalsContact OD1-CG 3.31Å; D403-Q405 WeakPolarHBondContact OD1-CG 3.03Å; D403-Q405 PolarHBondContact OD1-N 3.14Å; Q405-F407 VanDerWaalsContact C-N 3.32Å; Q405-F410 HydrophobicContact CB-CD2 4.38Å; Q405-F410 HydrophobicContact CB-CE2 4.48Å; Q405-F410 HydrophobicContact CG-CD2 3.73Å; Q405-F410 HydrophobicContact CG-CE2 3.93Å
406V73.4Confident66.4Low27 Ų2781.5 Ų81.516%0.16443%0.431CS..G310 helixtrans-67.3-33.8172.7-179.40000111.7P6 K400 D403 D404P6-V406 HydrophobicContact CB-CG1 4.27Å; K400-V406 HydrophobicContact CB-CG2 3.85Å; K400-V406 HydrophobicContact CD-CG2 3.84Å; D403-V406 HydrophobicContact CB-CG2 4.49Å; D403-V406 WeakPolarHBondContact O-CB 3.32Å; D403-V406 WeakPolarHBondContact O-CG2 3.46Å; D403-V406 PolarHBondContact O-N 2.98Å; D404-V406 PolarHBondContact O-N 3.31Å
407F76.6Confident64.8Low64 Ų6489.3 Ų89.328%0.28146%0.464SS..THydrogen-bonded Turntrans-116.5-29.7-171.2-54.6-66.4000113.7F79 N135 D404 Q405F79-F407 HydrophobicContact CE2-CD2 4.25Å; F79-F407 HydrophobicContact CE2-CE2 4.41Å; F79-F407 HydrophobicContact CZ-CB 4.32Å; F79-F407 HydrophobicContact CZ-CD2 4.11Å; F79-F407 HydrophobicContact CZ-CG 4.07Å; N135-F407 HydrophobicContact CB-CE1 3.73Å; N135-F407 HydrophobicContact CB-CZ 3.63Å; D404-F407 PolarHBondContact O-N 3.5Å; Q405-F407 VanDerWaalsContact C-N 3.32Å
408W80.5Confident64.4Low83 Ų8387.3 Ų87.331%0.31446%0.457SS..SBendtrans-108.7144.5-170.9-61.291000112.1W74 S75 A78 F79 D404 F410W74-W408 HydrophobicContact CB-CD2 4Å; W74-W408 HydrophobicContact CB-CG 4.18Å; W74-W408 HydrophobicContact CB-CZ2 4.35Å; S75-W408 PolarHBondContact OG-NE1 2.91Å; A78-W408 HydrophobicContact CB-CH2 3.57Å; A78-W408 HydrophobicContact CB-CZ2 3.49Å; A78-W408 VanDerWaalsContact CB-CZ2 3.49Å; F79-W408 HydrophobicContact CE1-CZ2 4.47Å; D404-W408 HydrophobicContact CB-CG 4.44Å; D404-W408 WeakPolarHBondContact O-CB 3.3Å; D404-W408 PolarHBondContact O-N 3.15Å; W408-F410 HydrophobicContact CB-CD2 4.31Å; W408-F410 HydrophobicContact CB-CE2 3.68Å; W408-F410 HydrophobicContact CB-CZ 4.12Å; W408-F410 WeakPolarHBondContact O-CD2 3.44Å; W408-F410 PolarHBondContact O-N 3.45Å
409K79.8Confident64.2Low208 Ų20888.3 Ų88.390%0.90446%0.464SS*.  trans-83.7113173-175.9-177.7178.2-174.80109
410F74.3Confident64.4Low79 Ų7988.9 Ų88.935%0.34645%0.454SS..  trans-97.1137.4169.7-67.4-88.3000110.4D404 Q405 W408 H412D404-F410 HydrophobicContact CB-CE2 3.72Å; D404-F410 HydrophobicContact CB-CZ 3.61Å; Q405-F410 HydrophobicContact CB-CD2 4.38Å; Q405-F410 HydrophobicContact CB-CE2 4.48Å; Q405-F410 HydrophobicContact CG-CD2 3.73Å; Q405-F410 HydrophobicContact CG-CE2 3.93Å; W408-F410 HydrophobicContact CB-CD2 4.31Å; W408-F410 HydrophobicContact CB-CE2 3.68Å; W408-F410 HydrophobicContact CB-CZ 4.12Å; W408-F410 WeakPolarHBondContact O-CD2 3.44Å; W408-F410 PolarHBondContact O-N 3.45Å; F410-H412 PolarHBondContact O-N 3.39Å
411P59Low64.3Low111 Ų11189.6 Ų89.672%0.72146%0.462SS*.SBendtrans-63129.116824.6-28.3000109.2
412H51.8Low63.6Low187 Ų18793.9 Ų93.987%0.86649%0.485SS*.SBendtrans13.9111.8178.5-56.2-73.1000118F410 A414F410-H412 PolarHBondContact O-N 3.39Å; H412-A414 PolarHBondContact O-N 3.39Å
413L52.7Low63Low153 Ų15396.9 Ų96.980%0.80150%0.503SS*.  trans13.473.6164-77.6162.5000114.4V415L413-V415 HydrophobicContact CB-CG2 4.46Å; L413-V415 PolarHBondContact O-N 3.09Å
414A43Very low62.1Low47 Ų47102.1 Ų102.139%0.38853%0.53SS..  trans-69.678.9161.600000108H412 G416 F417H412-A414 PolarHBondContact O-N 3.39Å; A414-G416 VanDerWaalsContact C-N 3.32Å; A414-G416 PolarHBondContact O-N 2.94Å; A414-F417 HydrophobicContact CB-CB 4.42Å; A414-F417 HydrophobicContact CB-CD2 4.06Å
415V42Very low60.8Low139 Ų139109.7 Ų109.784%0.84257%0.569SS**THydrogen-bonded Turntrans-62.199.7161.2-177.30000105.4L413L413-V415 HydrophobicContact CB-CG2 4.46Å; L413-V415 PolarHBondContact O-N 3.09Å
416G43.2Very low59.4Low52 Ų52110.8 Ų110.854%0.53658%0.579SS.*THydrogen-bonded Turntrans11419.8169.700000118.2R70 A414R70-G416 PolarHBondContact NH2-O 3.16Å; A414-G416 VanDerWaalsContact C-N 3.32Å; A414-G416 PolarHBondContact O-N 2.94Å
417F36.9Very low58.2Low180 Ų180118.5 Ų118.579%0.78962%0.617SS**  trans-100.60164.5-87.4-72.3000114.8R70 A414R70-F417 PolarHBondContact NE-OXT 2.94Å; R70-F417 PolarHBondContact NH2-OXT 3.1Å; A414-F417 HydrophobicContact CB-CB 4.42Å; A414-F417 HydrophobicContact CB-CD2 4.06Å

Retrieved 417 of 417 residues in 569.3 ms (Link to these results)