A0A096NJU0_PAPAN Loading...

Voltage-dependent calcium channel gamma-2 subunit

Regulates the trafficking and gating properties of AMPA-selective glutamate receptors (AMPARs). Promotes their targeting to the cell membrane and synapses and modulates their gating properties by slowing their rates of activation, deactivation and desensitization. Does not show subunit-specific AMPA receptor regulation and regulates all AMPAR subunits. Thought to stabilize the calcium channel in an inactivated (closed) state.

AlphaFold DB (Q9Y698), UniProt , Accession A0A096NJU0, Species PAPAN (Papio anubis, Olive baboon), Gene CACNG2, Length 323 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
1M45.2Very low75.5Confident211 Ų21196.7 Ų96.7100%1.03953%0.525SS*.  0-46.50-94.876.2170.800114.7L3M1-L3 PolarHBondContact O-N 3.25Å
2G63.5Low76.9Confident51 Ų5196.8 Ų96.853%0.52652%0.524SS..Hα-helixtrans-72.21.5-159.500000121.9
3L60.5Low78Confident159 Ų15989.7 Ų89.783%0.83249%0.486SS*.Hα-helixtrans-87.4-37.8174.8-118.697000112.4M1 R6 G7M1-L3 PolarHBondContact O-N 3.25Å; L3-R6 PolarHBondContact O-N 2.74Å; L3-G7 PolarHBondContact O-N 3.09Å
4F61.8Low79Confident163 Ų16384.9 Ų84.972%0.71546%0.461SS*.Hα-helixtrans-66.6-43.8179-168.7-98.9000110.4R6 G7 V8F4-R6 PolarHBondContact O-N 3.47Å; F4-G7 PolarHBondContact O-N 3.22Å; F4-V8 HydrophobicContact CD1-CG2 4.02Å; F4-V8 HydrophobicContact CE1-CG2 3.8Å; F4-V8 HydrophobicContact CZ-CG2 4.28Å; F4-V8 WeakPolarHBondContact O-CG2 3.19Å; F4-V8 PolarHBondContact O-N 3.37Å
5D80.9Confident80Confident95 Ų9584.9 Ų84.951%0.50847%0.465SS..Hα-helixtrans-57.4-37.5176.5-58.7-39.2000112.1Q9D5-Q9 WeakPolarHBondContact O-CB 3.19Å; D5-Q9 PolarHBondContact O-N 2.8Å
6R79.9Confident80.9Confident74 Ų7480.3 Ų80.328%0.27944%0.443SS..Hα-helixtrans-71.8-40.7-179.8-172.3179.6178.7151.37.8112.9L3 F4 V8 Q9 M10 R204L3-R6 PolarHBondContact O-N 2.74Å; F4-R6 PolarHBondContact O-N 3.47Å; R6-V8 VanDerWaalsContact C-N 3.34Å; R6-Q9 PolarHBondContact O-N 2.92Å; R6-M10 WeakPolarHBondContact O-CB 3.34Å; R6-M10 PolarHBondContact O-N 3.07Å; R6-R204 VanDerWaalsContact NH1-NH1 3.13Å
7G84.2Confident81.7Confident44 Ų4476 Ų7645%0.45442%0.42SS..Hα-helixtrans-63-43.917500000111L3 F4 M10 L11L3-G7 PolarHBondContact O-N 3.09Å; F4-G7 PolarHBondContact O-N 3.22Å; G7-M10 PolarHBondContact O-N 3.04Å; G7-L11 WeakPolarHBondContact O-CB 3.42Å; G7-L11 PolarHBondContact O-N 3.48Å
8V89Confident82.3Confident73 Ų7379.3 Ų79.344%0.44243%0.43SS..Hα-helixtrans-62.4-44175.31750000111.3F4 R6 M10 L11 L12F4-V8 HydrophobicContact CD1-CG2 4.02Å; F4-V8 HydrophobicContact CE1-CG2 3.8Å; F4-V8 HydrophobicContact CZ-CG2 4.28Å; F4-V8 WeakPolarHBondContact O-CG2 3.19Å; F4-V8 PolarHBondContact O-N 3.37Å; R6-V8 VanDerWaalsContact C-N 3.34Å; V8-M10 VanDerWaalsContact C-N 3.31Å; V8-M10 PolarHBondContact O-N 2.91Å; V8-L11 PolarHBondContact O-N 2.75Å; V8-L12 WeakPolarHBondContact O-CB 3.26Å; V8-L12 PolarHBondContact O-N 3.22Å
9Q88.4Confident83Confident35 Ų3577.1 Ų77.116%0.16442%0.423CS..Hα-helixtrans-62.3-39.8177.4-168177.19.200112D5 R6 L12 T13 L196 M200D5-Q9 WeakPolarHBondContact O-CB 3.19Å; D5-Q9 PolarHBondContact O-N 2.8Å; R6-Q9 PolarHBondContact O-N 2.92Å; Q9-L12 PolarHBondContact O-N 3.34Å; Q9-T13 WeakPolarHBondContact O-CB 3.31Å; Q9-T13 PolarHBondContact O-N 3.43Å; Q9-T13 PolarHBondContact O-OG1 2.85Å; Q9-L196 HydrophobicContact CG-CD2 4.41Å; Q9-M200 HydrophobicContact CB-CG 4.47Å; Q9-M200 HydrophobicContact CB-SD 4.34Å; Q9-M200 HydrophobicContact CG-CG 3.67Å; Q9-M200 HydrophobicContact CG-SD 3.79Å; Q9-M200 VanDerWaalsContact NE2-CG 3.35Å
10M86.7Confident83.7Confident48 Ų4873.3 Ų73.324%0.23640%0.402CS..Hα-helixtrans-64.9-46.1176.7-166.1161.3-152.300111.7R6 G7 V8 L12 T13 T14 E126 M200R6-M10 WeakPolarHBondContact O-CB 3.34Å; R6-M10 PolarHBondContact O-N 3.07Å; G7-M10 PolarHBondContact O-N 3.04Å; V8-M10 VanDerWaalsContact C-N 3.31Å; V8-M10 PolarHBondContact O-N 2.91Å; M10-L12 VanDerWaalsContact C-N 3.35Å; M10-L12 PolarHBondContact O-N 3.06Å; M10-T13 WeakPolarHBondContact O-CB 3.47Å; M10-T13 PolarHBondContact O-N 2.78Å; M10-T14 PolarHBondContact O-N 3.47Å; M10-T14 PolarHBondContact O-OG1 3.24Å; M10-E126 HydrophobicContact CE-CB 4.24Å; M10-E126 HydrophobicContact CE-CG 3.16Å; M10-E126 HydrophobicContact CG-CG 4.5Å; M10-E126 HydrophobicContact SD-CG 3.96Å; M10-M200 HydrophobicContact CB-CE 3.68Å; M10-M200 HydrophobicContact CG-CE 3.99Å; M10-M200 HydrophobicContact SD-CE 4.44Å
11L90.2Very high84.2Confident111 Ų11172.5 Ų72.558%0.58140%0.395SS*.Hα-helixtrans-62.9-40.5176.6-175.5142.3000112.1G7 V8 T13 T14 V15G7-L11 WeakPolarHBondContact O-CB 3.42Å; G7-L11 PolarHBondContact O-N 3.48Å; V8-L11 PolarHBondContact O-N 2.75Å; L11-T13 VanDerWaalsContact C-N 3.3Å; L11-T13 PolarHBondContact O-N 3.28Å; L11-T14 WeakPolarHBondContact CA-OG1 3.34Å; L11-T14 PolarHBondContact O-N 2.92Å; L11-T14 PolarHBondContact O-OG1 3.44Å; L11-V15 HydrophobicContact CD2-CG2 4.16Å; L11-V15 HydrophobicContact CG-CG2 4.41Å; L11-V15 WeakPolarHBondContact O-CB 3.26Å; L11-V15 VanDerWaalsContact O-CG2 3.23Å; L11-V15 WeakPolarHBondContact O-CG2 3.4Å; L11-V15 PolarHBondContact O-N 3.27Å
12L92.2Very high86.6Confident98 Ų9865.1 Ų65.151%0.51336%0.364SS..Hα-helixtrans-64.2-38.6175.1-171.968.2000111.4V8 Q9 M10 G16 L196V8-L12 WeakPolarHBondContact O-CB 3.26Å; V8-L12 PolarHBondContact O-N 3.22Å; Q9-L12 PolarHBondContact O-N 3.34Å; M10-L12 VanDerWaalsContact C-N 3.35Å; M10-L12 PolarHBondContact O-N 3.06Å; L12-G16 PolarHBondContact O-N 2.81Å; L12-L196 HydrophobicContact CD2-CD1 3.99Å; L12-L196 HydrophobicContact CG-CD1 4.41Å
13T91.7Very high88Confident4 Ų464.1 Ų64.13%0.02535%0.347CS..Hα-helixtrans-65.8-43.9177.5-56.80000110.9Q9 M10 L11 A17 I122 V193 A197Q9-T13 WeakPolarHBondContact O-CB 3.31Å; Q9-T13 PolarHBondContact O-N 3.43Å; Q9-T13 PolarHBondContact O-OG1 2.85Å; M10-T13 WeakPolarHBondContact O-CB 3.47Å; M10-T13 PolarHBondContact O-N 2.78Å; L11-T13 VanDerWaalsContact C-N 3.3Å; L11-T13 PolarHBondContact O-N 3.28Å; T13-A17 VanDerWaalsContact O-CB 3.29Å; T13-A17 WeakPolarHBondContact O-CB 3.32Å; T13-A17 PolarHBondContact O-N 2.81Å; T13-I122 HydrophobicContact CG2-CD1 4.11Å; T13-V193 HydrophobicContact CG2-CG1 3.76Å; T13-V193 WeakPolarHBondContact O-CG1 3.24Å; T13-A197 HydrophobicContact CG2-CB 4.41Å
14T91.4Very high89.6Confident22 Ų2256.7 Ų56.714%0.13531%0.308CS..Hα-helixtrans-68.2-49.4177.550.70000112.2M10 L11 G16 A17 F18 I122 E126M10-T14 PolarHBondContact O-N 3.47Å; M10-T14 PolarHBondContact O-OG1 3.24Å; L11-T14 WeakPolarHBondContact CA-OG1 3.34Å; L11-T14 PolarHBondContact O-N 2.92Å; L11-T14 PolarHBondContact O-OG1 3.44Å; T14-G16 VanDerWaalsContact C-N 3.3Å; T14-G16 PolarHBondContact O-N 2.59Å; T14-A17 PolarHBondContact O-N 3.48Å; T14-A17 VanDerWaalsContact O-N 3.17Å; T14-F18 WeakPolarHBondContact O-CD2 3.35Å; T14-F18 PolarHBondContact O-N 2.91Å; T14-I122 HydrophobicContact CG2-CG2 3.68Å; T14-E126 WeakPolarHBondContact CG2-OE1 3.19Å
15V93.9Very high91.1Very high86 Ų8651.8 Ų51.852%0.52129%0.291SS..Hα-helixtrans-59.7-43.5177.8173.20000110.7L11 F18 A19L11-V15 HydrophobicContact CD2-CG2 4.16Å; L11-V15 HydrophobicContact CG-CG2 4.41Å; L11-V15 WeakPolarHBondContact O-CB 3.26Å; L11-V15 VanDerWaalsContact O-CG2 3.23Å; L11-V15 WeakPolarHBondContact O-CG2 3.4Å; L11-V15 PolarHBondContact O-N 3.27Å; V15-F18 PolarHBondContact O-N 2.92Å; V15-A19 VanDerWaalsContact O-CB 3.32Å; V15-A19 WeakPolarHBondContact O-CB 3.2Å; V15-A19 PolarHBondContact O-N 2.9Å
16G94.5Very high91.6Very high11 Ų1151 Ų5111%0.11329%0.286CS..Hα-helixtrans-67-35.817700000113.1L12 T14 A19 A20 I189L12-G16 PolarHBondContact O-N 2.81Å; T14-G16 VanDerWaalsContact C-N 3.3Å; T14-G16 PolarHBondContact O-N 2.59Å; G16-A19 PolarHBondContact O-N 3.42Å; G16-A20 WeakPolarHBondContact O-CB 3.48Å; G16-A20 PolarHBondContact O-N 2.89Å; G16-I189 WeakPolarHBondContact O-CG2 3.33Å
17A94.1Very high92.2Very high7 Ų747.5 Ų47.56%0.05827%0.273CS..Hα-helixtrans-64.1-45.6173.300000112T13 T14 A20 F21 I122 F142 V193T13-A17 VanDerWaalsContact O-CB 3.29Å; T13-A17 WeakPolarHBondContact O-CB 3.32Å; T13-A17 PolarHBondContact O-N 2.81Å; T14-A17 PolarHBondContact O-N 3.48Å; T14-A17 VanDerWaalsContact O-N 3.17Å; A17-A20 PolarHBondContact O-N 3.49Å; A17-F21 WeakPolarHBondContact O-CB 2.92Å; A17-F21 PolarHBondContact O-N 3.5Å; A17-I122 HydrophobicContact CB-CD1 3.9Å; A17-F142 HydrophobicContact CB-CE2 4.11Å; A17-F142 HydrophobicContact CB-CZ 4.37Å; A17-V193 HydrophobicContact CB-CG1 4.25Å
18F93.9Very high92.4Very high136 Ų13646.1 Ų46.160%0.59626%0.256SS*.Hα-helixtrans-63.3-40.6175-75.6-65.4000112.1T14 V15 S22T14-F18 WeakPolarHBondContact O-CD2 3.35Å; T14-F18 PolarHBondContact O-N 2.91Å; V15-F18 PolarHBondContact O-N 2.92Å; F18-S22 VanDerWaalsContact O-CB 3.29Å; F18-S22 WeakPolarHBondContact O-CB 3.48Å; F18-S22 PolarHBondContact O-N 3.42Å; F18-S22 PolarHBondContact O-OG 3.46Å
19A95.7Very high92.3Very high37 Ų3745.4 Ų45.431%0.30626%0.263SS..Hα-helixtrans-63.6-47.5176.500000111.5V15 G16 F21 S22 L23V15-A19 VanDerWaalsContact O-CB 3.32Å; V15-A19 WeakPolarHBondContact O-CB 3.2Å; V15-A19 PolarHBondContact O-N 2.9Å; G16-A19 PolarHBondContact O-N 3.42Å; A19-F21 PolarHBondContact O-N 2.89Å; A19-S22 PolarHBondContact O-N 3.17Å; A19-L23 WeakPolarHBondContact O-CB 3.49Å; A19-L23 VanDerWaalsContact O-CG 3.27Å; A19-L23 WeakPolarHBondContact O-CG 3.46Å; A19-L23 PolarHBondContact O-N 3.18Å
20A95.4Very high92.3Very high0 Ų045.6 Ų45.60%027%0.267CS..Hα-helixtrans-60.1-46.917700000111.7G16 A17 S22 L23 M24 F142 I189 A190G16-A20 WeakPolarHBondContact O-CB 3.48Å; G16-A20 PolarHBondContact O-N 2.89Å; A17-A20 PolarHBondContact O-N 3.49Å; A20-S22 PolarHBondContact O-N 2.96Å; A20-L23 PolarHBondContact O-N 3.12Å; A20-M24 WeakPolarHBondContact O-CB 3.24Å; A20-M24 PolarHBondContact O-N 3.44Å; A20-F142 HydrophobicContact CB-CE2 4.46Å; A20-F142 HydrophobicContact CB-CZ 3.99Å; A20-I189 HydrophobicContact CB-CB 4.32Å; A20-I189 HydrophobicContact CB-CG2 3.98Å; A20-A190 HydrophobicContact CB-CB 4.45Å
21F95.2Very high92.2Very high57 Ų5744.8 Ų44.825%0.2526%0.263CS..Hα-helixtrans-61.4-44177.3176.3-102.7000112.4A17 A19 M24 T25 V112 L115 F116A17-F21 WeakPolarHBondContact O-CB 2.92Å; A17-F21 PolarHBondContact O-N 3.5Å; A19-F21 PolarHBondContact O-N 2.89Å; F21-M24 PolarHBondContact O-N 3.08Å; F21-T25 WeakPolarHBondContact O-CB 3.38Å; F21-T25 PolarHBondContact O-N 3.36Å; F21-T25 PolarHBondContact O-OG1 2.83Å; F21-V112 HydrophobicContact CD2-CG1 4.39Å; F21-V112 HydrophobicContact CE2-CG1 3.72Å; F21-L115 HydrophobicContact CD2-CB 4.23Å; F21-F116 HydrophobicContact CD2-CB 4.24Å; F21-F116 HydrophobicContact CE2-CB 3.77Å; F21-F116 HydrophobicContact CE2-CD2 4.01Å; F21-F116 HydrophobicContact CE2-CG 4.32Å; F21-F116 AromaticContact CZ-CD2 3.94Å; F21-F116 HydrophobicContact CZ-CD2 3.94Å
22S95Very high92Very high56 Ų5644 Ų4439%0.39225%0.253SS..Hα-helixtrans-66.1-46.2-179.9-57.50000111.5F18 A19 A20 M24 T25 I26F18-S22 VanDerWaalsContact O-CB 3.29Å; F18-S22 WeakPolarHBondContact O-CB 3.48Å; F18-S22 PolarHBondContact O-N 3.42Å; F18-S22 PolarHBondContact O-OG 3.46Å; A19-S22 PolarHBondContact O-N 3.17Å; A20-S22 PolarHBondContact O-N 2.96Å; S22-M24 VanDerWaalsContact C-N 3.33Å; S22-M24 PolarHBondContact O-N 2.88Å; S22-T25 PolarHBondContact O-N 3.06Å; S22-I26 VanDerWaalsContact O-CG1 3.25Å; S22-I26 WeakPolarHBondContact O-CG1 3.26Å; S22-I26 PolarHBondContact O-N 3.42Å
23L94.5Very high91.7Very high31 Ų3139.5 Ų39.516%0.16223%0.229CC..Hα-helixtrans-61.9-41.1177.2-72.5173.6000111.8A19 A20 I26 A27 F182 L185 I189A19-L23 WeakPolarHBondContact O-CB 3.49Å; A19-L23 VanDerWaalsContact O-CG 3.27Å; A19-L23 WeakPolarHBondContact O-CG 3.46Å; A19-L23 PolarHBondContact O-N 3.18Å; A20-L23 PolarHBondContact O-N 3.12Å; L23-I26 PolarHBondContact O-N 2.94Å; L23-A27 WeakPolarHBondContact O-CB 3.4Å; L23-A27 PolarHBondContact O-N 3.5Å; L23-F182 HydrophobicContact CD2-CB 4.33Å; L23-F182 HydrophobicContact CD2-CD1 3.77Å; L23-F182 HydrophobicContact CD2-CE1 4.3Å; L23-F182 HydrophobicContact CD2-CG 4.13Å; L23-L185 HydrophobicContact CD1-CD2 3.99Å; L23-L185 HydrophobicContact CD1-CG 4.15Å; L23-I189 HydrophobicContact CD1-CD1 3.8Å
24M92.9Very high91.3Very high3 Ų339.8 Ų39.82%0.01523%0.231CC..Hα-helixtrans-64.6-44.1175.4-171.771.579.200111.7A20 F21 S22 I26 A27 V28 S111 V112 L115 N149 S186A20-M24 WeakPolarHBondContact O-CB 3.24Å; A20-M24 PolarHBondContact O-N 3.44Å; F21-M24 PolarHBondContact O-N 3.08Å; S22-M24 VanDerWaalsContact C-N 3.33Å; S22-M24 PolarHBondContact O-N 2.88Å; M24-I26 VanDerWaalsContact C-N 3.3Å; M24-I26 PolarHBondContact O-N 3.31Å; M24-A27 WeakPolarHBondContact O-CB 3.37Å; M24-A27 PolarHBondContact O-N 3.46Å; M24-A27 VanDerWaalsContact O-N 3.16Å; M24-V28 HydrophobicContact CG-CG2 4.38Å; M24-V28 WeakPolarHBondContact O-CG2 3.37Å; M24-V28 PolarHBondContact O-N 3.22Å; M24-S111 WeakPolarHBondContact CE-OG 3.46Å; M24-V112 HydrophobicContact CB-CG2 4.3Å; M24-V112 HydrophobicContact CG-CG2 3.34Å; M24-L115 HydrophobicContact CB-CD1 3.96Å; M24-L115 HydrophobicContact CE-CD1 3.87Å; M24-L115 HydrophobicContact CG-CD1 4.21Å; M24-N149 HydrophobicContact CE-CB 3.66Å; M24-N149 WeakPolarHBondContact CE-ND2 3.2Å; M24-S186 VanDerWaalsContact CE-OG 3.29Å; M24-S186 WeakPolarHBondContact CE-OG 3.22Å
25T92.6Very high90.9Very high60 Ų6041 Ų4137%0.36823%0.233SC..Hα-helixtrans-62.6-40.6178.8-57.50000111F21 S22 G29F21-T25 WeakPolarHBondContact O-CB 3.38Å; F21-T25 PolarHBondContact O-N 3.36Å; F21-T25 PolarHBondContact O-OG1 2.83Å; S22-T25 PolarHBondContact O-N 3.06Å; T25-G29 WeakPolarHBondContact O-CA 3.34Å; T25-G29 PolarHBondContact O-N 3.06Å
26I92.6Very high90.1Very high78 Ų7837.4 Ų37.440%0.421%0.212SC..Hα-helixtrans-63.4-47.3173.1-67.4163.9000109.7S22 L23 M24 V28 G29 T30 F182S22-I26 VanDerWaalsContact O-CG1 3.25Å; S22-I26 WeakPolarHBondContact O-CG1 3.26Å; S22-I26 PolarHBondContact O-N 3.42Å; L23-I26 PolarHBondContact O-N 2.94Å; M24-I26 VanDerWaalsContact C-N 3.3Å; M24-I26 PolarHBondContact O-N 3.31Å; I26-V28 PolarHBondContact O-N 3.38Å; I26-G29 PolarHBondContact O-N 3.23Å; I26-T30 HydrophobicContact CG2-CG2 3.95Å; I26-T30 VanDerWaalsContact O-CB 3.29Å; I26-T30 WeakPolarHBondContact O-CB 3.49Å; I26-T30 VanDerWaalsContact O-CG2 3.29Å; I26-T30 WeakPolarHBondContact O-CG2 3.44Å; I26-T30 PolarHBondContact O-N 3.32Å; I26-T30 PolarHBondContact O-OG1 3.06Å; I26-F182 HydrophobicContact CG2-CD2 4.28Å
27A91.3Very high88.9Confident0 Ų042.2 Ų42.20%023%0.227CC..Hα-helixtrans-56.6-51.3179.100000110.9L23 M24 W33 S179 F182L23-A27 WeakPolarHBondContact O-CB 3.4Å; L23-A27 PolarHBondContact O-N 3.5Å; M24-A27 WeakPolarHBondContact O-CB 3.37Å; M24-A27 PolarHBondContact O-N 3.46Å; M24-A27 VanDerWaalsContact O-N 3.16Å; A27-W33 HydrophobicContact CB-CZ2 4.38Å; A27-W33 PolarHBondContact O-NE1 3.44Å; A27-S179 VanDerWaalsContact CB-O 3.3Å; A27-S179 WeakPolarHBondContact CB-O 3.38Å; A27-F182 HydrophobicContact CB-CB 4.5Å
28V88.8Confident87.6Confident16 Ų1643 Ų4310%0.09724%0.236CC..Hα-helixtrans-68.5-37.6179.9175.90000112.2M24 I26 L63 W64 P108 V112M24-V28 HydrophobicContact CG-CG2 4.38Å; M24-V28 WeakPolarHBondContact O-CG2 3.37Å; M24-V28 PolarHBondContact O-N 3.22Å; I26-V28 PolarHBondContact O-N 3.38Å; V28-L63 HydrophobicContact CG1-CD2 4.36Å; V28-W64 HydrophobicContact CG1-CZ2 3.54Å; V28-W64 PolarHBondContact O-NE1 3.2Å; V28-P108 HydrophobicContact CG2-CB 4.05Å; V28-V112 HydrophobicContact CG2-CG2 4.04Å
29G86.9Confident86.1Confident57 Ų5740.7 Ų40.759%0.58823%0.233SC*.Hα-helixtrans-81.7-16.9-175.600000115.2T25 I26T25-G29 WeakPolarHBondContact O-CA 3.34Å; T25-G29 PolarHBondContact O-N 3.06Å; I26-G29 PolarHBondContact O-N 3.23Å
30T89.1Confident84.6Confident40 Ų4040 Ų4025%0.24523%0.226CC..SBendtrans-102.8146.9-177.555.70000112.3I26 Y32 W33 S179I26-T30 HydrophobicContact CG2-CG2 3.95Å; I26-T30 VanDerWaalsContact O-CB 3.29Å; I26-T30 WeakPolarHBondContact O-CB 3.49Å; I26-T30 VanDerWaalsContact O-CG2 3.29Å; I26-T30 WeakPolarHBondContact O-CG2 3.44Å; I26-T30 PolarHBondContact O-N 3.32Å; I26-T30 PolarHBondContact O-OG1 3.06Å; T30-Y32 VanDerWaalsContact C-N 3.3Å; T30-Y32 PolarHBondContact O-N 2.95Å; T30-W33 PolarHBondContact O-NE1 3.44Å; T30-S179 VanDerWaalsContact OG1-CB 3.3Å; T30-S179 WeakPolarHBondContact OG1-CB 3.38Å; T30-S179 PolarHBondContact OG1-OG 3.06Å
31D84.2Confident82.8Confident31 Ų3147.8 Ų47.817%0.16626%0.26CS..SBendtrans-9122.7-175.5-63.5-46.3000114.1H60 S61 G62D31-H60 PolarHBondContact O-CD2 2.99Å; D31-H60 VanDerWaalsContact O-CD2 3.29Å; D31-S61 CarbonylContact O-C 3.01Å; D31-S61 VanDerWaalsContact O-O 3.12Å; D31-G62 PolarHBondContact O-N 2.88Å; D31-G62 VanDerWaalsContact O-N 3.09Å
32Y85.3Confident80.9Confident94 Ų9447.8 Ų47.837%0.36926%0.264SS..  trans-108.551.3-176.3-55.5-80000112.7T30 Y35 H60 G177 W178 S179T30-Y32 VanDerWaalsContact C-N 3.3Å; T30-Y32 PolarHBondContact O-N 2.95Å; Y32-Y35 HydrophobicContact CD1-CE1 4.18Å; Y32-H60 HydrophobicContact CD1-CB 3.86Å; Y32-H60 AromaticContact CD1-CD2 3.55Å; Y32-H60 AromaticContact CD1-CG 3.81Å; Y32-H60 HydrophobicContact CE1-CB 4.22Å; Y32-H60 AromaticContact CE1-CD2 3.32Å; Y32-H60 WeakPolarHBondContact CE1-CD2 3.45Å; Y32-H60 AromaticContact CE1-CG 3.69Å; Y32-H60 AromaticContact CE1-NE2 3.55Å; Y32-H60 AromaticContact CZ-CD2 3.9Å; Y32-H60 AromaticContact CZ-NE2 3.8Å; Y32-G177 CarbonylContact O-C 3.56Å; Y32-G177 WeakPolarHBondContact O-CA 3.27Å; Y32-W178 PolarHBondContact O-N 3Å; Y32-S179 WeakPolarHBondContact CB-OG 3.3Å; Y32-S179 VanDerWaalsContact O-CB 3.23Å; Y32-S179 WeakPolarHBondContact O-CB 3.31Å; Y32-S179 PolarHBondContact O-N 3.43Å; Y32-S179 VanDerWaalsContact O-N 3.16Å; Y32-S179 PolarHBondContact O-OG 3.32Å
33W87.4Confident78.8Confident3 Ų355.4 Ų55.41%0.01129%0.29CS..SBendtrans-84-40175.9-75.360.3000112A27 T30 S61 Y156 G177 F180A27-W33 HydrophobicContact CB-CZ2 4.38Å; A27-W33 PolarHBondContact O-NE1 3.44Å; T30-W33 PolarHBondContact O-NE1 3.44Å; W33-S61 WeakPolarHBondContact CB-O 3.29Å; W33-S61 PolarHBondContact N-O 3.34Å; W33-Y156 HydrophobicContact CB-CE1 4.25Å; W33-Y156 WeakPolarHBondContact CB-OH 3.45Å; W33-Y156 AromaticContact CE3-CD1 3.83Å; W33-Y156 HydrophobicContact CE3-CD1 3.83Å; W33-Y156 HydrophobicContact CE3-CD2 4.24Å; W33-Y156 AromaticContact CE3-CE1 3.75Å; W33-Y156 HydrophobicContact CE3-CE1 3.75Å; W33-Y156 HydrophobicContact CE3-CE2 4.17Å; W33-Y156 HydrophobicContact CE3-CG 4.08Å; W33-Y156 AromaticContact CE3-CZ 3.93Å; W33-Y156 HydrophobicContact CZ3-CD1 4.22Å; W33-Y156 HydrophobicContact CZ3-CG 4.2Å; W33-G177 PolarHBondContact O-N 3.24Å; W33-F180 HydrophobicContact CE3-CD2 4Å; W33-F180 HydrophobicContact CZ3-CD2 4.28Å
34L83.5Confident76.5Confident10 Ų1056.8 Ų56.85%0.05230%0.302CS..EExtended strand (participates in β ladder)trans-146.3130.8-173.5-179.1146.5000110.1H60 S61 Y156 Y174L34-H60 WeakPolarHBondContact O-CA 3.39Å; L34-S61 PolarHBondContact N-O 3.32Å; L34-S61 VanDerWaalsContact N-O 3.08Å; L34-S61 PolarHBondContact O-N 2.97Å; L34-Y156 WeakPolarHBondContact CB-OH 3.37Å; L34-Y174 HydrophobicContact CD1-CD1 3.76Å; L34-Y174 HydrophobicContact CD1-CE1 4.03Å; L34-Y174 HydrophobicContact CD2-CD1 3.52Å; L34-Y174 HydrophobicContact CD2-CE1 3.52Å; L34-Y174 HydrophobicContact CG-CD1 3.85Å; L34-Y174 HydrophobicContact CG-CE1 4.23Å
35Y82.7Confident74.1Confident47 Ų4764 Ų6418%0.18435%0.346CS..EExtended strand (participates in β ladder)trans-94.2124.5167.9-62.9-77.2000108.5Y32 M58 T59 H60 L69 S175Y32-Y35 HydrophobicContact CD1-CE1 4.18Å; Y35-M58 HydrophobicContact CD1-SD 4.42Å; Y35-T59 WeakPolarHBondContact CA-O 3.4Å; Y35-H60 HydrophobicContact CD1-CB 3.98Å; Y35-H60 HydrophobicContact CE1-CB 3.88Å; Y35-L69 HydrophobicContact CD1-CD1 4.09Å; Y35-L69 HydrophobicContact CE1-CD1 3.92Å; Y35-S175 WeakPolarHBondContact CB-O 3.31Å; Y35-S175 PolarHBondContact N-O 3.45Å; Y35-S175 PolarHBondContact O-N 3.16Å
36S76.4Confident71.6Confident12 Ų1264.5 Ų64.58%0.08435%0.352CS..EExtended strand (participates in β ladder)trans-129.5144.3174.9-1560000109.9T59 Y174S36-T59 PolarHBondContact N-O 3.42Å; S36-T59 PolarHBondContact O-N 2.9Å; S36-T59 PolarHBondContact O-OG1 3.3Å; S36-Y174 WeakPolarHBondContact OG-CE1 3.19Å
37R69.5Low69.4Low111 Ų11169.5 Ų69.542%0.41937%0.374SS..EExtended strand (participates in β ladder)trans-81.8121.7163.8-73.4-167.5171.9106.1-0.8109.3V57 S173R37-V57 WeakPolarHBondContact CA-O 3.34Å; R37-S173 PolarHBondContact NH1-OG 2.9Å; R37-S173 VanDerWaalsContact NH1-OG 3.16Å
38G67.5Low67.5Low25 Ų2576.6 Ų76.626%0.25841%0.412SS..EExtended strand (participates in β ladder)trans-147.4170.2-176.800000112.7V57G38-V57 PolarHBondContact N-O 3.12Å; G38-V57 PolarHBondContact O-N 3.28Å; G38-V57 VanDerWaalsContact O-N 3.11Å
39V62.8Low65.3Low86 Ų8681.1 Ų81.152%0.52143%0.432SS..  trans-96112174.1-720000109.4K41V39-K41 PolarHBondContact O-N 3.43Å
40C62.9Low63.4Low24 Ų2484.4 Ų84.416%0.16244%0.441CS..  trans-79.995.2171-68.20000109T59 C68 F73C40-T59 WeakPolarHBondContact SG-CG2 3.45Å; C40-C68 HydrophobicContact CB-CB 4.11Å; C40-C68 WeakPolarHBondContact CB-SG 3.33Å; C40-C68 WeakPolarHBondContact SG-CB 3.36Å; C40-C68 CovalentContact SG-SG 2.03Å; C40-C68 PolarHBondContact SG-SG 3.34Å; C40-F73 HydrophobicContact CB-CB 4.12Å; C40-F73 HydrophobicContact CB-CD2 4.23Å; C40-F73 WeakPolarHBondContact O-CD2 3.36Å; C40-F73 WeakPolarHBondContact O-CE2 3.49Å
41K57.7Low61.3Low163 Ų16387.8 Ų87.871%0.70947%0.466SS*.  trans-93.7120.5172.5-70.9-177.1-179.4175.80109.6V39V39-K41 PolarHBondContact O-N 3.43Å
42T55.1Low59.4Low56 Ų5694.5 Ų94.534%0.34449%0.494SS..  trans-76138.2162.3-176.70000109.6S44 F73T42-S44 WeakPolarHBondContact CG2-OG 3.46Å; T42-S44 PolarHBondContact O-N 2.91Å; T42-F73 HydrophobicContact CG2-CD1 4.33Å; T42-F73 HydrophobicContact CG2-CE1 3.28Å; T42-F73 HydrophobicContact CG2-CE2 4.39Å; T42-F73 HydrophobicContact CG2-CZ 3.33Å
43K51.5Low57.5Low216 Ų21694.9 Ų94.994%0.93950%0.497SS*.  trans-78.360.2167.1-160.3176.5-174.4175.30108.2
44S45Very low55.8Low60 Ų60101.5 Ų101.542%0.4253%0.533SS..  trans-89.3126.9171.665.40000109T42 S46T42-S44 WeakPolarHBondContact CG2-OG 3.46Å; T42-S44 PolarHBondContact O-N 2.91Å; S44-S46 PolarHBondContact O-N 2.63Å
45V43.2Very low54.4Low155 Ų155107 Ų10794%0.93956%0.558SS**SBendtrans-58.574.9177.1-178.50000111.5
46S40.2Very low53.3Low70 Ų70109.7 Ų109.749%0.4957%0.573SS.*  trans-170.693.4164.4610000110S44 N48S44-S46 PolarHBondContact O-N 2.63Å; S46-N48 PolarHBondContact O-N 3.46Å
47E47.4Very low52.9Low184 Ų184109.7 Ų109.786%0.8657%0.572SS**THydrogen-bonded Turntrans-70.415.2177.5-71.7-178.5147.600114.6
48N49.4Very low53.1Low149 Ų149107.8 Ų107.880%0.79757%0.569SS**THydrogen-bonded Turntrans-106.515.1-168.8-76-6.6000116.7S46S46-N48 PolarHBondContact O-N 3.46Å
49E43.6Very low53.7Low111 Ų111107.1 Ų107.152%0.51956%0.56SS.*  trans-122.874.1170.8-74.7-101.515500109.5S51E49-S51 VanDerWaalsContact C-N 3.26Å; E49-S51 PolarHBondContact O-N 3.32Å
50T47Very low54.8Low126 Ų126103.8 Ų103.877%0.77354%0.538SS*.  trans-80.29.3-178.436.10000114.1
51S44.1Very low55.6Low110 Ų110103.4 Ų103.477%0.76954%0.536SS*.SBendtrans-133.13.9-165.4-44.60000117.2E49E49-S51 VanDerWaalsContact C-N 3.26Å; E49-S51 PolarHBondContact O-N 3.32Å
52K45.2Very low56.8Low173 Ų17395.6 Ų95.675%0.75250%0.502SS*.SBendtrans-120.113.2178.2-74-178.2179.2166.20115.3
53K45.1Very low57.9Low102 Ų10293.5 Ų93.544%0.44349%0.488SS..  trans-119.532.8-151.6-86.7-178.2179.4165.10117.4
54N51.3Low59.4Low141 Ų14187.7 Ų87.775%0.75446%0.461SS*.  trans-128.235.5174.8-66.9-24.9000113.1E56N54-E56 PolarHBondContact O-N 2.99Å
55E55.7Low61.2Low125 Ų12591.4 Ų91.458%0.58447%0.466SS*.  trans-68.6120166.4-162.5168.1-163.400107.5V57E55-V57 WeakPolarHBondContact O-CG2 3.34Å; E55-V57 PolarHBondContact O-N 2.95Å
56E59.6Low63.1Low105 Ų10585.7 Ų85.749%0.49143%0.431SS..  trans-69.397.1175.5-66.1-160.3145.900108.5N54 K170N54-E56 PolarHBondContact O-N 2.99Å; E56-K170 WeakPolarHBondContact OE1-CE 3.48Å; E56-K170 IonicContact OE1-NZ 2.71Å; E56-K170 PolarHBondContact OE1-NZ 2.93Å
57V66.7Low65.2Low12 Ų1282.5 Ų82.57%0.07341%0.409CS..EExtended strand (participates in β ladder)trans-86.3136.6-173.7-162.60000110R37 G38 E55 T59 E70R37-V57 WeakPolarHBondContact CA-O 3.34Å; G38-V57 PolarHBondContact N-O 3.12Å; G38-V57 PolarHBondContact O-N 3.28Å; G38-V57 VanDerWaalsContact O-N 3.11Å; E55-V57 WeakPolarHBondContact O-CG2 3.34Å; E55-V57 PolarHBondContact O-N 2.95Å; V57-T59 PolarHBondContact O-N 3.31Å; V57-E70 HydrophobicContact CG1-CB 3.59Å; V57-E70 WeakPolarHBondContact CG1-O 3.37Å
58M73.9Confident66.8Low71 Ų7174.4 Ų74.435%0.3537%0.372SS..EExtended strand (participates in β ladder)trans-69.2129166.6-168.8175.2-73.600110.1Y35 L69Y35-M58 HydrophobicContact CD1-SD 4.42Å; M58-L69 HydrophobicContact CB-CB 4.5Å; M58-L69 HydrophobicContact CG-CD1 4.21Å; M58-L69 WeakPolarHBondContact O-CB 3.32Å; M58-L69 PolarHBondContact O-N 3.46Å; M58-L69 HydrophobicContact SD-CD1 4.46Å
59T80.6Confident68.2Low11 Ų1170.3 Ų70.37%0.06735%0.35CS..EExtended strand (participates in β ladder)trans-123.3144.9175.962.40000109.3Y35 S36 C40 V57 C67Y35-T59 WeakPolarHBondContact CA-O 3.4Å; S36-T59 PolarHBondContact N-O 3.42Å; S36-T59 PolarHBondContact O-N 2.9Å; S36-T59 PolarHBondContact O-OG1 3.3Å; C40-T59 WeakPolarHBondContact SG-CG2 3.45Å; V57-T59 PolarHBondContact O-N 3.31Å; T59-C67 WeakPolarHBondContact CA-O 3.4Å
60H85.1Confident69.6Low15 Ų1570.1 Ų70.17%0.06935%0.349CS..EExtended strand (participates in β ladder)trans-108.6130.2167.359.2-74.7000108.8D31 Y32 L34 Y35 T66 C67 L69D31-H60 PolarHBondContact O-CD2 2.99Å; D31-H60 VanDerWaalsContact O-CD2 3.29Å; Y32-H60 HydrophobicContact CD1-CB 3.86Å; Y32-H60 AromaticContact CD1-CD2 3.55Å; Y32-H60 AromaticContact CD1-CG 3.81Å; Y32-H60 HydrophobicContact CE1-CB 4.22Å; Y32-H60 AromaticContact CE1-CD2 3.32Å; Y32-H60 WeakPolarHBondContact CE1-CD2 3.45Å; Y32-H60 AromaticContact CE1-CG 3.69Å; Y32-H60 AromaticContact CE1-NE2 3.55Å; Y32-H60 AromaticContact CZ-CD2 3.9Å; Y32-H60 AromaticContact CZ-NE2 3.8Å; L34-H60 WeakPolarHBondContact O-CA 3.39Å; Y35-H60 HydrophobicContact CD1-CB 3.98Å; Y35-H60 HydrophobicContact CE1-CB 3.88Å; H60-T66 CarbonylContact O-C 3.59Å; H60-T66 WeakPolarHBondContact O-CA 3.37Å; H60-C67 WeakPolarHBondContact CE1-CB 3.46Å; H60-C67 PolarHBondContact N-O 3.21Å; H60-C67 PolarHBondContact ND1-O 3.43Å; H60-C67 VanDerWaalsContact ND1-O 3.13Å; H60-C67 VanDerWaalsContact NE2-CB 3.31Å; H60-C67 WeakPolarHBondContact NE2-CB 3.29Å; H60-C67 PolarHBondContact O-N 2.75Å; H60-L69 HydrophobicContact CB-CD1 3.95Å; H60-L69 VanDerWaalsContact ND1-CD1 3.3Å; H60-L69 WeakPolarHBondContact ND1-CD1 3.44Å; H60-L69 VanDerWaalsContact ND1-CG 3.31Å; H60-L69 WeakPolarHBondContact ND1-CG 3.43Å
61S79.9Confident70.7Confident16 Ų1665.3 Ų65.311%0.11233%0.325CS..EExtended strand (participates in β ladder)trans-111129.8176.1-65.80000109.3D31 W33 L34 T66D31-S61 CarbonylContact O-C 3.01Å; D31-S61 VanDerWaalsContact O-O 3.12Å; W33-S61 WeakPolarHBondContact CB-O 3.29Å; W33-S61 PolarHBondContact N-O 3.34Å; L34-S61 PolarHBondContact N-O 3.32Å; L34-S61 VanDerWaalsContact N-O 3.08Å; L34-S61 PolarHBondContact O-N 2.97Å; S61-T66 WeakPolarHBondContact CB-OG1 3.37Å; S61-T66 VanDerWaalsContact OG-CG2 3.24Å; S61-T66 WeakPolarHBondContact OG-CG2 3.36Å; S61-T66 PolarHBondContact OG-OG1 3.39Å
62G83.6Confident71.8Confident0 Ų067.6 Ų67.60%033%0.328CS..  trans-90.1-163.616600000112.6D31 R65D31-G62 PolarHBondContact O-N 2.88Å; D31-G62 VanDerWaalsContact O-N 3.09Å; G62-R65 WeakPolarHBondContact CA-O 3.43Å; G62-R65 PolarHBondContact N-O 3.23Å
63L78.4Confident73Confident11 Ų1162.4 Ų62.46%0.05831%0.306CS..SBendtrans-77.2-30.5171.3-167.356.8000111.9V28 P108 Y156V28-L63 HydrophobicContact CG1-CD2 4.36Å; L63-P108 HydrophobicContact CD2-CB 4.44Å; L63-Y156 HydrophobicContact CD1-CD2 4.3Å
64W82Confident74.4Confident94 Ų9465.2 Ų65.236%0.35632%0.318SS..SBendtrans-115.2-35.8-171.3-33.791.2000113.1V28 I80 S105 I109V28-W64 HydrophobicContact CG1-CZ2 3.54Å; V28-W64 PolarHBondContact O-NE1 3.2Å; W64-I80 PolarHBondContact O-N 3.01Å; W64-S105 WeakPolarHBondContact CH2-OG 3.39Å; W64-S105 WeakPolarHBondContact CZ3-OG 3.36Å; W64-I109 HydrophobicContact CH2-CD1 3.6Å; W64-I109 HydrophobicContact CH2-CG1 3.84Å; W64-I109 HydrophobicContact CZ2-CG1 4.43Å; W64-I109 HydrophobicContact CZ3-CD1 4.23Å
65R83.2Confident75.5Confident138 Ų13861.4 Ų61.452%0.52131%0.312SS..EExtended strand (participates in β ladder)trans-133.6149.3-171.2-62.8175.4-179.6-168.7-0.8110.2G62 K78G62-R65 WeakPolarHBondContact CA-O 3.43Å; G62-R65 PolarHBondContact N-O 3.23Å; R65-K78 WeakPolarHBondContact CA-O 3.41Å
66T82.4Confident76.7Confident35 Ų3559.4 Ų59.422%0.21531%0.305CS..EExtended strand (participates in β ladder)trans-117.1132.3169.6-64.60000108.4H60 S61 C77 K78 I80H60-T66 CarbonylContact O-C 3.59Å; H60-T66 WeakPolarHBondContact O-CA 3.37Å; S61-T66 WeakPolarHBondContact CB-OG1 3.37Å; S61-T66 VanDerWaalsContact OG-CG2 3.24Å; S61-T66 WeakPolarHBondContact OG-CG2 3.36Å; S61-T66 PolarHBondContact OG-OG1 3.39Å; T66-C77 CarbonylContact O-C 3.16Å; T66-C77 WeakPolarHBondContact O-CA 3.32Å; T66-K78 PolarHBondContact N-O 3.43Å; T66-K78 PolarHBondContact O-N 3.04Å; T66-I80 WeakPolarHBondContact OG1-CG1 3.4Å
67C84.2Confident77.7Confident4 Ų457.6 Ų57.63%0.02730%0.303CS..EExtended strand (participates in β ladder)trans-125.2139.2-176.2-620000110.9T59 H60 L76 C77T59-C67 WeakPolarHBondContact CA-O 3.4Å; H60-C67 WeakPolarHBondContact CE1-CB 3.46Å; H60-C67 PolarHBondContact N-O 3.21Å; H60-C67 PolarHBondContact ND1-O 3.43Å; H60-C67 VanDerWaalsContact ND1-O 3.13Å; H60-C67 VanDerWaalsContact NE2-CB 3.31Å; H60-C67 WeakPolarHBondContact NE2-CB 3.29Å; H60-C67 PolarHBondContact O-N 2.75Å; C67-L76 WeakPolarHBondContact CA-O 3.09Å; C67-C77 HydrophobicContact CB-CB 4.18Å; C67-C77 WeakPolarHBondContact CB-SG 3.39Å; C67-C77 WeakPolarHBondContact SG-CB 3.37Å; C67-C77 CovalentContact SG-SG 2.05Å; C67-C77 PolarHBondContact SG-SG 3.49Å
68C83Confident78.2Confident13 Ų1363.2 Ų63.29%0.08833%0.326CS..EExtended strand (participates in β ladder)trans-86.9127.6-179-540000111C40 F73 G75 L76C40-C68 HydrophobicContact CB-CB 4.11Å; C40-C68 WeakPolarHBondContact CB-SG 3.33Å; C40-C68 WeakPolarHBondContact SG-CB 3.36Å; C40-C68 CovalentContact SG-SG 2.03Å; C40-C68 PolarHBondContact SG-SG 3.34Å; C68-F73 WeakPolarHBondContact CB-O 3.37Å; C68-G75 PolarHBondContact O-N 3.19Å; C68-L76 PolarHBondContact N-O 3.19Å
69L78.9Confident78.4Confident63 Ų6366.3 Ų66.333%0.3334%0.34SS..  trans-91.2-28-179.3-82.7147.8000113.5Y35 M58 H60 K74Y35-L69 HydrophobicContact CD1-CD1 4.09Å; Y35-L69 HydrophobicContact CE1-CD1 3.92Å; M58-L69 HydrophobicContact CB-CB 4.5Å; M58-L69 HydrophobicContact CG-CD1 4.21Å; M58-L69 WeakPolarHBondContact O-CB 3.32Å; M58-L69 PolarHBondContact O-N 3.46Å; M58-L69 HydrophobicContact SD-CD1 4.46Å; H60-L69 HydrophobicContact CB-CD1 3.95Å; H60-L69 VanDerWaalsContact ND1-CD1 3.3Å; H60-L69 WeakPolarHBondContact ND1-CD1 3.44Å; H60-L69 VanDerWaalsContact ND1-CG 3.31Å; H60-L69 WeakPolarHBondContact ND1-CG 3.43Å; L69-K74 WeakPolarHBondContact O-CD 3.23Å; L69-K74 WeakPolarHBondContact O-CG 3.17Å
70E71.7Confident77.8Confident108 Ų10867.5 Ų67.551%0.50535%0.346SS..SBendtrans-131.6177.9-170.1-163.1150.7-151.500110.9V57V57-E70 HydrophobicContact CG1-CB 3.59Å; V57-E70 WeakPolarHBondContact CG1-O 3.37Å
71G69.3Low76.7Confident25 Ų2571.8 Ų71.826%0.25837%0.369SS..G310 helixtrans69.8-175.917900000115.4F73 K74G71-F73 PolarHBondContact O-N 3.2Å; G71-K74 PolarHBondContact O-N 3.36Å
72N68.5Low75.6Confident157 Ų15773.1 Ų73.184%0.8437%0.373SS*.G310 helixtrans-62.3-11.9-176-70.6-10.7000114.7
73F69.3Low74.1Confident64 Ų6481 Ų8128%0.28141%0.408SS..G310 helixtrans-112.222.1-178.2-58.6-70.3000112.9C40 T42 C68 G71 G75 L76C40-F73 HydrophobicContact CB-CB 4.12Å; C40-F73 HydrophobicContact CB-CD2 4.23Å; C40-F73 WeakPolarHBondContact O-CD2 3.36Å; C40-F73 WeakPolarHBondContact O-CE2 3.49Å; T42-F73 HydrophobicContact CG2-CD1 4.33Å; T42-F73 HydrophobicContact CG2-CE1 3.28Å; T42-F73 HydrophobicContact CG2-CE2 4.39Å; T42-F73 HydrophobicContact CG2-CZ 3.33Å; C68-F73 WeakPolarHBondContact CB-O 3.37Å; G71-F73 PolarHBondContact O-N 3.2Å; F73-G75 PolarHBondContact O-N 3.01Å; F73-L76 HydrophobicContact CB-CB 4.36Å; F73-L76 VanDerWaalsContact O-CB 3.32Å; F73-L76 WeakPolarHBondContact O-CB 3.37Å; F73-L76 PolarHBondContact O-N 2.89Å
74K75.7Confident73.1Confident162 Ų16284.4 Ų84.470%0.70443%0.43SS*.THydrogen-bonded Turntrans-51.4124.7176179.1172.4-178.1178.10111.2L69 G71L69-K74 WeakPolarHBondContact O-CD 3.23Å; L69-K74 WeakPolarHBondContact O-CG 3.17Å; G71-K74 PolarHBondContact O-N 3.36Å
75G74.8Confident71.6Confident60 Ų6088.8 Ų88.862%0.61946%0.455SS*.THydrogen-bonded Turntrans89.2-2.3-179.900000115.3C68 F73 C77C68-G75 PolarHBondContact O-N 3.19Å; F73-G75 PolarHBondContact O-N 3.01Å; G75-C77 PolarHBondContact O-N 3.46Å
76L80.2Confident70.1Confident84 Ų8489.3 Ų89.344%0.4447%0.468SS..  trans-75.5123.1171.3-16973.3000109.8C67 C68 F73C67-L76 WeakPolarHBondContact CA-O 3.09Å; C68-L76 PolarHBondContact N-O 3.19Å; F73-L76 HydrophobicContact CB-CB 4.36Å; F73-L76 VanDerWaalsContact O-CB 3.32Å; F73-L76 WeakPolarHBondContact O-CB 3.37Å; F73-L76 PolarHBondContact O-N 2.89Å
77C80.3Confident68.7Low66 Ų6690.2 Ų90.245%0.44648%0.479SS..EExtended strand (participates in β ladder)trans-111.5126.5174.2-65.90000109.8T66 C67 G75T66-C77 CarbonylContact O-C 3.16Å; T66-C77 WeakPolarHBondContact O-CA 3.32Å; C67-C77 HydrophobicContact CB-CB 4.18Å; C67-C77 WeakPolarHBondContact CB-SG 3.39Å; C67-C77 WeakPolarHBondContact SG-CB 3.37Å; C67-C77 CovalentContact SG-SG 2.05Å; C67-C77 PolarHBondContact SG-SG 3.49Å; G75-C77 PolarHBondContact O-N 3.46Å
78K77.9Confident67Low130 Ų13097.5 Ų97.557%0.56552%0.518SS*.EExtended strand (participates in β ladder)trans-115.9138.7175.5-164.3-173.3171.2-1660109.1R65 T66 D81R65-K78 WeakPolarHBondContact CA-O 3.41Å; T66-K78 PolarHBondContact N-O 3.43Å; T66-K78 PolarHBondContact O-N 3.04Å; K78-D81 WeakPolarHBondContact CE-OD2 3.39Å; K78-D81 IonicContact NZ-OD2 2.73Å; K78-D81 PolarHBondContact NZ-OD2 3.18Å
79Q76.9Confident65.5Low137 Ų137106 Ų10664%0.6455%0.55SS*.EExtended strand (participates in β ladder)trans-65.9139.3169.3-172.7164.8-600109.1D81Q79-D81 PolarHBondContact O-N 3.37Å; Q79-D81 VanDerWaalsContact O-N 3.08Å
80I68.2Low64.2Low36 Ų36112.3 Ų112.319%0.18558%0.577CS.*  trans-68.8110.9-178.6-60.4172000108W64 T66 H82W64-I80 PolarHBondContact O-N 3.01Å; T66-I80 WeakPolarHBondContact OG1-CG1 3.4Å; I80-H82 PolarHBondContact O-CE1 2.92Å; I80-H82 PolarHBondContact O-N 2.83Å; I80-H82 VanDerWaalsContact O-N 3.13Å; I80-H82 PolarHBondContact O-ND1 3.25Å
81D61.6Low63.6Low104 Ų104107.9 Ų107.956%0.55656%0.559SS**  trans-73.2101.2169.6-64.3-34.9000107.2K78 Q79 F83K78-D81 WeakPolarHBondContact CE-OD2 3.39Å; K78-D81 IonicContact NZ-OD2 2.73Å; K78-D81 PolarHBondContact NZ-OD2 3.18Å; Q79-D81 PolarHBondContact O-N 3.37Å; Q79-D81 VanDerWaalsContact O-N 3.08Å; D81-F83 PolarHBondContact O-N 2.8Å
82H58.3Low63.6Low44 Ų44112.7 Ų112.720%0.20458%0.579CS.*SBendtrans-74-5.8-176.6-73.280.3000113.4I80 A103I80-H82 PolarHBondContact O-CE1 2.92Å; I80-H82 PolarHBondContact O-N 2.83Å; I80-H82 VanDerWaalsContact O-N 3.13Å; I80-H82 PolarHBondContact O-ND1 3.25Å; H82-A103 HydrophobicContact CB-CB 3.93Å; H82-A103 VanDerWaalsContact CD2-CA 3.47Å; H82-A103 WeakPolarHBondContact CD2-CA 3.37Å; H82-A103 VanDerWaalsContact CD2-CB 3.44Å; H82-A103 WeakPolarHBondContact CD2-CB 3.37Å; H82-A103 WeakPolarHBondContact NE2-CA 3.27Å
83F52Low63.6Low167 Ų167111.2 Ų111.273%0.73258%0.576SS**  trans-118.295.9174.5-76.5-88.8000108.3D81 E85D81-F83 PolarHBondContact O-N 2.8Å; F83-E85 PolarHBondContact O-N 3.35Å
84P57Low63.6Low81 Ų81111 Ų11153%0.52659%0.586SS.*  trans-67.6111.9156.528-28.3000106.8D86 A87P84-D86 PolarHBondContact O-N 2.88Å; P84-A87 HydrophobicContact CG-CB 4.48Å
85E51.3Low63.2Low186 Ų186106.5 Ų106.587%0.86957%0.568SS**THydrogen-bonded Turntrans-64.7-5.4-178.4-155.4169.8177.400112.9F83F83-E85 PolarHBondContact O-N 3.35Å
86D50.5Low62.8Low149 Ų149109.2 Ų109.280%0.79756%0.56SS**THydrogen-bonded Turntrans-119.717.5-169-53.4-45.1000114.7P84P84-D86 PolarHBondContact O-N 2.88Å
87A52.6Low62.4Low55 Ų55111.6 Ų111.646%0.45557%0.567SS.*  trans-102.887.9174.900000110.8P84 Y89P84-A87 HydrophobicContact CG-CB 4.48Å; A87-Y89 VanDerWaalsContact C-N 3.28Å; A87-Y89 PolarHBondContact O-N 3.21Å
88D49.1Very low61.9Low156 Ų156111.4 Ų111.483%0.83456%0.561SS**  trans-58.883.2167.9-61.5-38.7000110.7
89Y51.6Low61.4Low193 Ų193109.2 Ų109.276%0.75755%0.549SS*.  trans-141.7131170.4-91.9-87.2000109.5A87 A91A87-Y89 VanDerWaalsContact C-N 3.28Å; A87-Y89 PolarHBondContact O-N 3.21Å; Y89-A91 PolarHBondContact O-N 3.24Å
90E51.9Low60.9Low194 Ų194105.2 Ų105.291%0.90754%0.54SS*.  trans-55.382.7162.9-67.4-155.6146.600109D92E90-D92 PolarHBondContact O-N 2.84Å; E90-D92 VanDerWaalsContact O-N 3.14Å
91A59.8Low60.9Low15 Ų15104.3 Ų104.312%0.12454%0.536CS..  trans-72.6115.1178.400000107.4Y89 T93 E95 Y96Y89-A91 PolarHBondContact O-N 3.24Å; A91-T93 PolarHBondContact O-N 2.94Å; A91-E95 HydrophobicContact CB-CB 4.43Å; A91-Y96 HydrophobicContact CB-CD1 4.43Å; A91-Y96 HydrophobicContact CB-CD2 3.48Å; A91-Y96 VanDerWaalsContact CB-CD2 3.48Å; A91-Y96 HydrophobicContact CB-CE1 4.09Å; A91-Y96 HydrophobicContact CB-CE2 3.09Å; A91-Y96 HydrophobicContact CB-CG 4.14Å; A91-Y96 VanDerWaalsContact CB-CZ 3.41Å; A91-Y96 WeakPolarHBondContact O-CD2 3.38Å; A91-Y96 WeakPolarHBondContact O-CE2 3.29Å
92D67.4Low61.3Low126 Ų126101.6 Ų101.667%0.67452%0.518SS*.  trans-51.9139.7167.6-76.8-40.9000108.1E90 A94 E95 Y96E90-D92 PolarHBondContact O-N 2.84Å; E90-D92 VanDerWaalsContact O-N 3.14Å; D92-A94 CarbonylContact O-C 3.57Å; D92-A94 PolarHBondContact O-N 2.98Å; D92-E95 PolarHBondContact O-N 3.35Å; D92-Y96 PolarHBondContact O-N 2.89Å
93T68.8Low61.6Low126 Ų126101.4 Ų101.477%0.77352%0.524SS*.Hα-helixtrans-48-26.5179.951.40000113A91 F97A91-T93 PolarHBondContact O-N 2.94Å; T93-F97 VanDerWaalsContact O-CB 3.23Å; T93-F97 WeakPolarHBondContact O-CB 2.76Å; T93-F97 PolarHBondContact O-N 3.2Å
94A69.4Low62.1Low61 Ų6195.6 Ų95.650%0.50450%0.504SS..Hα-helixtrans-65.1-42.3172.500000114.3D92 F97 L98D92-A94 CarbonylContact O-C 3.57Å; D92-A94 PolarHBondContact O-N 2.98Å; A94-F97 PolarHBondContact O-N 2.92Å; A94-L98 VanDerWaalsContact O-CG 3.32Å; A94-L98 WeakPolarHBondContact O-CG 3.35Å; A94-L98 PolarHBondContact O-N 3.22Å
95E68.6Low63Low67 Ų6791.9 Ų91.931%0.31348%0.48SS..Hα-helixtrans-71.1-41.2178.3-170.2177.9-177.900111A91 D92 F97 L98 R99A91-E95 HydrophobicContact CB-CB 4.43Å; D92-E95 PolarHBondContact O-N 3.35Å; E95-F97 VanDerWaalsContact C-N 3.29Å; E95-F97 PolarHBondContact O-N 3.17Å; E95-L98 PolarHBondContact O-N 3.42Å; E95-R99 WeakPolarHBondContact O-CB 3.36Å; E95-R99 VanDerWaalsContact O-CG 3.31Å; E95-R99 WeakPolarHBondContact O-CG 3.28Å; E95-R99 PolarHBondContact O-N 2.92Å; E95-R99 IonicContact OE1-CZ 3.97Å; E95-R99 IonicContact OE1-NE 2.99Å; E95-R99 PolarHBondContact OE1-NE 2.91Å; E95-R99 IonicContact OE1-NH2 2.89Å; E95-R99 PolarHBondContact OE1-NH2 2.68Å
96Y66.6Low64.6Low116 Ų11686.9 Ų86.946%0.45546%0.459SS..Hα-helixtrans-57.5-44169.7-77.9-67.2000111.6A91 D92 R99 A100A91-Y96 HydrophobicContact CB-CD1 4.43Å; A91-Y96 HydrophobicContact CB-CD2 3.48Å; A91-Y96 VanDerWaalsContact CB-CD2 3.48Å; A91-Y96 HydrophobicContact CB-CE1 4.09Å; A91-Y96 HydrophobicContact CB-CE2 3.09Å; A91-Y96 HydrophobicContact CB-CG 4.14Å; A91-Y96 VanDerWaalsContact CB-CZ 3.41Å; A91-Y96 WeakPolarHBondContact O-CD2 3.38Å; A91-Y96 WeakPolarHBondContact O-CE2 3.29Å; D92-Y96 PolarHBondContact O-N 2.89Å; Y96-R99 PolarHBondContact O-N 3.48Å; Y96-A100 WeakPolarHBondContact O-CB 3.48Å; Y96-A100 PolarHBondContact O-N 2.94Å
97F70Confident66.3Low134 Ų13482.8 Ų82.859%0.58843%0.434SS*.Hα-helixtrans-63.4-45.4178.2-172.7-99.4000111.5T93 A94 E95 R99 A100 V101T93-F97 VanDerWaalsContact O-CB 3.23Å; T93-F97 WeakPolarHBondContact O-CB 2.76Å; T93-F97 PolarHBondContact O-N 3.2Å; A94-F97 PolarHBondContact O-N 2.92Å; E95-F97 VanDerWaalsContact C-N 3.29Å; E95-F97 PolarHBondContact O-N 3.17Å; F97-R99 PolarHBondContact O-N 3.39Å; F97-A100 PolarHBondContact O-N 2.95Å; F97-V101 HydrophobicContact CD1-CG2 3.99Å; F97-V101 HydrophobicContact CE1-CG2 3.68Å; F97-V101 HydrophobicContact CE2-CG2 4.35Å; F97-V101 HydrophobicContact CG-CG2 4.45Å; F97-V101 HydrophobicContact CZ-CG2 3.88Å; F97-V101 WeakPolarHBondContact O-CB 3.38Å; F97-V101 WeakPolarHBondContact O-CG2 3.49Å; F97-V101 PolarHBondContact O-N 3.41Å
98L70.8Confident67.9Low63 Ų6380.5 Ų80.533%0.3341%0.414SS..Hα-helixtrans-62.8-41.6176.9-72.4172.7000112.2A94 E95 V101 R102 V155A94-L98 VanDerWaalsContact O-CG 3.32Å; A94-L98 WeakPolarHBondContact O-CG 3.35Å; A94-L98 PolarHBondContact O-N 3.22Å; E95-L98 PolarHBondContact O-N 3.42Å; L98-V101 PolarHBondContact O-N 3.17Å; L98-R102 PolarHBondContact O-N 2.95Å; L98-V155 HydrophobicContact CD2-CG1 4.07Å
99R68Low69.8Low84 Ų8475.8 Ų75.832%0.31739%0.388SS..Hα-helixtrans-65.1-41.9174.9-71.7178-176.2-178.30.2111.7E95 Y96 F97 R102 A103E95-R99 WeakPolarHBondContact O-CB 3.36Å; E95-R99 VanDerWaalsContact O-CG 3.31Å; E95-R99 WeakPolarHBondContact O-CG 3.28Å; E95-R99 PolarHBondContact O-N 2.92Å; E95-R99 IonicContact OE1-CZ 3.97Å; E95-R99 IonicContact OE1-NE 2.99Å; E95-R99 PolarHBondContact OE1-NE 2.91Å; E95-R99 IonicContact OE1-NH2 2.89Å; E95-R99 PolarHBondContact OE1-NH2 2.68Å; Y96-R99 PolarHBondContact O-N 3.48Å; F97-R99 PolarHBondContact O-N 3.39Å; R99-R102 PolarHBondContact O-N 3.46Å; R99-A103 VanDerWaalsContact O-CB 3.3Å; R99-A103 WeakPolarHBondContact O-CB 3.41Å; R99-A103 PolarHBondContact O-N 2.89Å
100A66.3Low71.7Confident53 Ų5370.3 Ų70.344%0.43837%0.372SS..Hα-helixtrans-65.8-39.4176.600000112.2Y96 F97 A103 S104Y96-A100 WeakPolarHBondContact O-CB 3.48Å; Y96-A100 PolarHBondContact O-N 2.94Å; F97-A100 PolarHBondContact O-N 2.95Å; A100-A103 PolarHBondContact O-N 2.99Å; A100-S104 WeakPolarHBondContact O-CB 3.47Å; A100-S104 PolarHBondContact O-N 2.88Å; A100-S104 PolarHBondContact O-OG 2.87Å
101V67.9Low73.6Confident17 Ų1761 Ų6110%0.10333%0.328CS..Hα-helixtrans-66.7-39.9176.6172.10000111.2F97 L98 S104 S105 F107 V155F97-V101 HydrophobicContact CD1-CG2 3.99Å; F97-V101 HydrophobicContact CE1-CG2 3.68Å; F97-V101 HydrophobicContact CE2-CG2 4.35Å; F97-V101 HydrophobicContact CG-CG2 4.45Å; F97-V101 HydrophobicContact CZ-CG2 3.88Å; F97-V101 WeakPolarHBondContact O-CB 3.38Å; F97-V101 WeakPolarHBondContact O-CG2 3.49Å; F97-V101 PolarHBondContact O-N 3.41Å; L98-V101 PolarHBondContact O-N 3.17Å; V101-S104 PolarHBondContact O-OG 2.85Å; V101-S105 PolarHBondContact O-N 2.81Å; V101-S105 VanDerWaalsContact O-N 3.09Å; V101-F107 HydrophobicContact CG1-CD2 3.46Å; V101-F107 VanDerWaalsContact CG1-CD2 3.46Å; V101-F107 HydrophobicContact CG1-CE2 3.43Å; V101-F107 VanDerWaalsContact CG1-CE2 3.43Å; V101-F107 HydrophobicContact CG2-CE2 4.21Å; V101-V155 HydrophobicContact CB-CG1 4.02Å; V101-V155 HydrophobicContact CG1-CB 4.22Å; V101-V155 HydrophobicContact CG1-CG1 3.52Å; V101-V155 HydrophobicContact CG1-CG2 4.34Å
102R69.9Low75.1Confident46 Ų4661.6 Ų61.617%0.17433%0.33CS..Hα-helixtrans-62.8-49171.8-179-175.8-178.9151.17.9111.4L98 R99 S104 S105 A159 N160L98-R102 PolarHBondContact O-N 2.95Å; R99-R102 PolarHBondContact O-N 3.46Å; R102-S104 VanDerWaalsContact C-N 3.28Å; R102-S104 PolarHBondContact O-N 2.94Å; R102-S105 PolarHBondContact O-N 3.37Å; R102-A159 HydrophobicContact CB-CB 4.29Å; R102-A159 PolarHBondContact NH1-O 3.48Å; R102-N160 VanDerWaalsContact NH1-CG 3.34Å; R102-N160 PolarHBondContact NH1-OD1 3.48Å; R102-N160 PolarHBondContact NH2-OD1 3.46Å
103A65.2Low76.4Confident41 Ų4160 Ų6034%0.33932%0.321SS..Hα-helixtrans-61.2-38.8-177.500000112.6H82 R99 A100H82-A103 HydrophobicContact CB-CB 3.93Å; H82-A103 VanDerWaalsContact CD2-CA 3.47Å; H82-A103 WeakPolarHBondContact CD2-CA 3.37Å; H82-A103 VanDerWaalsContact CD2-CB 3.44Å; H82-A103 WeakPolarHBondContact CD2-CB 3.37Å; H82-A103 WeakPolarHBondContact NE2-CA 3.27Å; R99-A103 VanDerWaalsContact O-CB 3.3Å; R99-A103 WeakPolarHBondContact O-CB 3.41Å; R99-A103 PolarHBondContact O-N 2.89Å; A100-A103 PolarHBondContact O-N 2.99Å
104S62.4Low77.6Confident44 Ų4456.3 Ų56.331%0.30830%0.296SS..Hα-helixtrans-84-16.7-177.564.30000112.3A100 V101 R102 I106A100-S104 WeakPolarHBondContact O-CB 3.47Å; A100-S104 PolarHBondContact O-N 2.88Å; A100-S104 PolarHBondContact O-OG 2.87Å; V101-S104 PolarHBondContact O-OG 2.85Å; R102-S104 VanDerWaalsContact C-N 3.28Å; R102-S104 PolarHBondContact O-N 2.94Å; S104-I106 VanDerWaalsContact CB-CD1 3.43Å; S104-I106 VanDerWaalsContact CB-CG1 3.49Å; S104-I106 PolarHBondContact O-N 3.46Å; S104-I106 WeakPolarHBondContact OG-CD1 3.27Å; S104-I106 WeakPolarHBondContact OG-CG1 3.27Å
105S75.5Confident78.8Confident3 Ų353.6 Ų53.62%0.02127%0.273CS..THydrogen-bonded Turntrans43.128.3-177.556.40000113.8W64 V101 R102 F107 P108 I109W64-S105 WeakPolarHBondContact CH2-OG 3.39Å; W64-S105 WeakPolarHBondContact CZ3-OG 3.36Å; V101-S105 PolarHBondContact O-N 2.81Å; V101-S105 VanDerWaalsContact O-N 3.09Å; R102-S105 PolarHBondContact O-N 3.37Å; S105-F107 VanDerWaalsContact C-N 3.29Å; S105-F107 PolarHBondContact O-N 3.45Å; S105-P108 VanDerWaalsContact O-CD 3.29Å; S105-P108 WeakPolarHBondContact O-CD 3.24Å; S105-I109 WeakPolarHBondContact O-CD1 2.82Å; S105-I109 WeakPolarHBondContact O-CG1 3.4Å; S105-I109 PolarHBondContact O-N 3.34Å; S105-I109 VanDerWaalsContact O-N 3.15Å; S105-I109 WeakPolarHBondContact OG-CD1 3.37Å
106I84.1Confident80Confident82 Ų8255.4 Ų55.442%0.42128%0.28SS..Hα-helixtrans-61.9-41.7-168.1-71.9166000109.8S104 I109 L110S104-I106 VanDerWaalsContact CB-CD1 3.43Å; S104-I106 VanDerWaalsContact CB-CG1 3.49Å; S104-I106 PolarHBondContact O-N 3.46Å; S104-I106 WeakPolarHBondContact OG-CD1 3.27Å; S104-I106 WeakPolarHBondContact OG-CG1 3.27Å; I106-I109 PolarHBondContact O-N 2.93Å; I106-L110 HydrophobicContact CG2-CD1 3.5Å; I106-L110 HydrophobicContact CG2-CG 3.85Å; I106-L110 VanDerWaalsContact O-CB 3.3Å; I106-L110 WeakPolarHBondContact O-CB 3.47Å; I106-L110 WeakPolarHBondContact O-CG 3.39Å; I106-L110 PolarHBondContact O-N 3.06Å
107F86.8Confident81.3Confident62 Ų6254.1 Ų54.127%0.27228%0.279SS..Hα-helixtrans-64.4-51.7-176.6-65.4-65.1000113.4V101 S105 I109 L110 S111 I151V101-F107 HydrophobicContact CG1-CD2 3.46Å; V101-F107 VanDerWaalsContact CG1-CD2 3.46Å; V101-F107 HydrophobicContact CG1-CE2 3.43Å; V101-F107 VanDerWaalsContact CG1-CE2 3.43Å; V101-F107 HydrophobicContact CG2-CE2 4.21Å; S105-F107 VanDerWaalsContact C-N 3.29Å; S105-F107 PolarHBondContact O-N 3.45Å; F107-I109 VanDerWaalsContact C-N 3.34Å; F107-I109 PolarHBondContact O-N 3.01Å; F107-L110 PolarHBondContact O-N 3.31Å; F107-S111 WeakPolarHBondContact O-CB 3.43Å; F107-S111 PolarHBondContact O-N 2.89Å; F107-I151 HydrophobicContact CD2-CG2 4.42Å; F107-I151 HydrophobicContact CG-CG2 4.43Å
108P86.7Confident82.4Confident7 Ų747.8 Ų47.85%0.04525%0.251CS..Hα-helixtrans-57.9-41.2171.8-27.634.6000113.8V28 L63 S105 S111 V112V28-P108 HydrophobicContact CG2-CB 4.05Å; L63-P108 HydrophobicContact CD2-CB 4.44Å; S105-P108 VanDerWaalsContact O-CD 3.29Å; S105-P108 WeakPolarHBondContact O-CD 3.24Å; P108-S111 WeakPolarHBondContact O-CB 3.49Å; P108-S111 PolarHBondContact O-N 2.89Å; P108-S111 PolarHBondContact O-OG 3.3Å; P108-V112 WeakPolarHBondContact O-CG2 3.38Å; P108-V112 PolarHBondContact O-N 3.49Å
109I88.7Confident83.4Confident57 Ų5745.9 Ų45.929%0.29225%0.247SC..Hα-helixtrans-63.8-47.5178.4-60.7162.9000110.9W64 S105 I106 F107 S111 V112 I113W64-I109 HydrophobicContact CH2-CD1 3.6Å; W64-I109 HydrophobicContact CH2-CG1 3.84Å; W64-I109 HydrophobicContact CZ2-CG1 4.43Å; W64-I109 HydrophobicContact CZ3-CD1 4.23Å; S105-I109 WeakPolarHBondContact O-CD1 2.82Å; S105-I109 WeakPolarHBondContact O-CG1 3.4Å; S105-I109 PolarHBondContact O-N 3.34Å; S105-I109 VanDerWaalsContact O-N 3.15Å; S105-I109 WeakPolarHBondContact OG-CD1 3.37Å; I106-I109 PolarHBondContact O-N 2.93Å; F107-I109 VanDerWaalsContact C-N 3.34Å; F107-I109 PolarHBondContact O-N 3.01Å; I109-S111 PolarHBondContact O-N 3.47Å; I109-V112 WeakPolarHBondContact O-CB 3.28Å; I109-V112 PolarHBondContact O-N 3.34Å; I109-V112 VanDerWaalsContact O-N 3.11Å; I109-I113 HydrophobicContact CG2-CD1 3.98Å; I109-I113 WeakPolarHBondContact O-CG1 3.25Å; I109-I113 PolarHBondContact O-N 3.27Å
110L90.5Very high84.6Confident78 Ų7845.9 Ų45.941%0.40825%0.253SS..Hα-helixtrans-59-38.6176.2-72.2179.5000110.6I106 F107 V112 I113 L114I106-L110 HydrophobicContact CG2-CD1 3.5Å; I106-L110 HydrophobicContact CG2-CG 3.85Å; I106-L110 VanDerWaalsContact O-CB 3.3Å; I106-L110 WeakPolarHBondContact O-CB 3.47Å; I106-L110 WeakPolarHBondContact O-CG 3.39Å; I106-L110 PolarHBondContact O-N 3.06Å; F107-L110 PolarHBondContact O-N 3.31Å; L110-V112 PolarHBondContact O-N 3.41Å; L110-I113 PolarHBondContact O-N 3.27Å; L110-L114 WeakPolarHBondContact O-CB 3.27Å; L110-L114 VanDerWaalsContact O-CG 3.24Å; L110-L114 WeakPolarHBondContact O-CG 3.15Å; L110-L114 PolarHBondContact O-N 3.49Å
111S92Very high85.8Confident0 Ų044.4 Ų44.40%024%0.239CC..Hα-helixtrans-62.3-41.8175.683.70000112.2M24 F107 P108 I109 I113 L114 L115 A145 S148M24-S111 WeakPolarHBondContact CE-OG 3.46Å; F107-S111 WeakPolarHBondContact O-CB 3.43Å; F107-S111 PolarHBondContact O-N 2.89Å; P108-S111 WeakPolarHBondContact O-CB 3.49Å; P108-S111 PolarHBondContact O-N 2.89Å; P108-S111 PolarHBondContact O-OG 3.3Å; I109-S111 PolarHBondContact O-N 3.47Å; S111-I113 PolarHBondContact O-N 2.87Å; S111-L114 PolarHBondContact O-N 2.88Å; S111-L115 WeakPolarHBondContact O-CB 3.39Å; S111-L115 VanDerWaalsContact O-CG 3.28Å; S111-L115 WeakPolarHBondContact O-CG 3.43Å; S111-L115 PolarHBondContact O-N 3.48Å; S111-A145 WeakPolarHBondContact CB-O 3.04Å; S111-S148 WeakPolarHBondContact CA-OG 3.23Å; S111-S148 WeakPolarHBondContact CB-OG 3.36Å
112V92.6Very high86.8Confident27 Ų2744 Ų4416%0.16424%0.236CC..Hα-helixtrans-62.4-43.7175.4175.50000110.8F21 M24 V28 P108 I109 L110 L115 F116F21-V112 HydrophobicContact CD2-CG1 4.39Å; F21-V112 HydrophobicContact CE2-CG1 3.72Å; M24-V112 HydrophobicContact CB-CG2 4.3Å; M24-V112 HydrophobicContact CG-CG2 3.34Å; V28-V112 HydrophobicContact CG2-CG2 4.04Å; P108-V112 WeakPolarHBondContact O-CG2 3.38Å; P108-V112 PolarHBondContact O-N 3.49Å; I109-V112 WeakPolarHBondContact O-CB 3.28Å; I109-V112 PolarHBondContact O-N 3.34Å; I109-V112 VanDerWaalsContact O-N 3.11Å; L110-V112 PolarHBondContact O-N 3.41Å; V112-L115 PolarHBondContact O-N 3.01Å; V112-F116 WeakPolarHBondContact O-CB 3.3Å; V112-F116 PolarHBondContact O-N 3.34Å
113I93.7Very high87.7Confident91 Ų9143.5 Ų43.547%0.46724%0.242SC..Hα-helixtrans-64.2-44.1178-64.8168000110.6I109 L110 S111 F116 M117I109-I113 HydrophobicContact CG2-CD1 3.98Å; I109-I113 WeakPolarHBondContact O-CG1 3.25Å; I109-I113 PolarHBondContact O-N 3.27Å; L110-I113 PolarHBondContact O-N 3.27Å; S111-I113 PolarHBondContact O-N 2.87Å; I113-F116 WeakPolarHBondContact O-CB 3.36Å; I113-F116 PolarHBondContact O-N 3.38Å; I113-M117 WeakPolarHBondContact O-CG 3.25Å; I113-M117 PolarHBondContact O-N 2.91Å
114L94Very high88.8Confident50 Ų5043.2 Ų43.226%0.26224%0.24SC..Hα-helixtrans-66.6-39.1177.8-70.4172.6000112L110 S111 F116 M117 G118 F141 A145L110-L114 WeakPolarHBondContact O-CB 3.27Å; L110-L114 VanDerWaalsContact O-CG 3.24Å; L110-L114 WeakPolarHBondContact O-CG 3.15Å; L110-L114 PolarHBondContact O-N 3.49Å; S111-L114 PolarHBondContact O-N 2.88Å; L114-F116 VanDerWaalsContact C-N 3.35Å; L114-M117 PolarHBondContact O-N 2.96Å; L114-G118 PolarHBondContact O-N 2.72Å; L114-F141 HydrophobicContact CD2-CD1 4.4Å; L114-A145 HydrophobicContact CB-CB 3.58Å
115L94.3Very high89.9Confident3 Ų341.9 Ų41.92%0.01623%0.231CC..Hα-helixtrans-62.5-42.5172.5-75.3176.8000111.3F21 M24 S111 V112 G118 G119 F142 A145 A190F21-L115 HydrophobicContact CD2-CB 4.23Å; M24-L115 HydrophobicContact CB-CD1 3.96Å; M24-L115 HydrophobicContact CE-CD1 3.87Å; M24-L115 HydrophobicContact CG-CD1 4.21Å; S111-L115 WeakPolarHBondContact O-CB 3.39Å; S111-L115 VanDerWaalsContact O-CG 3.28Å; S111-L115 WeakPolarHBondContact O-CG 3.43Å; S111-L115 PolarHBondContact O-N 3.48Å; V112-L115 PolarHBondContact O-N 3.01Å; L115-G118 PolarHBondContact O-N 3.41Å; L115-G119 PolarHBondContact O-N 3.27Å; L115-F142 HydrophobicContact CD2-CD2 3.51Å; L115-F142 HydrophobicContact CD2-CE2 3.37Å; L115-F142 HydrophobicContact CD2-CG 4.3Å; L115-F142 HydrophobicContact CD2-CZ 4.1Å; L115-A145 HydrophobicContact CD2-CB 3.78Å; L115-A145 HydrophobicContact CG-CB 3.78Å; L115-A190 HydrophobicContact CD2-CB 4.07Å
116F94.7Very high90.3Very high106 Ų10646.1 Ų46.147%0.46525%0.25SS..Hα-helixtrans-62.4-48.7176.7-176.6-109.4000111.5F21 V112 I113 L114 G118 G119 L120F21-F116 HydrophobicContact CD2-CB 4.24Å; F21-F116 HydrophobicContact CE2-CB 3.77Å; F21-F116 HydrophobicContact CE2-CD2 4.01Å; F21-F116 HydrophobicContact CE2-CG 4.32Å; F21-F116 AromaticContact CZ-CD2 3.94Å; F21-F116 HydrophobicContact CZ-CD2 3.94Å; V112-F116 WeakPolarHBondContact O-CB 3.3Å; V112-F116 PolarHBondContact O-N 3.34Å; I113-F116 WeakPolarHBondContact O-CB 3.36Å; I113-F116 PolarHBondContact O-N 3.38Å; L114-F116 VanDerWaalsContact C-N 3.35Å; F116-G118 VanDerWaalsContact C-N 3.34Å; F116-G118 PolarHBondContact O-N 3.41Å; F116-G119 PolarHBondContact O-N 2.95Å; F116-L120 HydrophobicContact CD1-CD1 3.89Å; F116-L120 HydrophobicContact CD1-CG 4.42Å; F116-L120 HydrophobicContact CE1-CD1 3.45Å; F116-L120 VanDerWaalsContact CE1-CD1 3.45Å; F116-L120 HydrophobicContact CE1-CG 4.13Å; F116-L120 HydrophobicContact CZ-CD1 3.88Å; F116-L120 HydrophobicContact CZ-CD2 4.29Å; F116-L120 HydrophobicContact CZ-CG 4.17Å; F116-L120 WeakPolarHBondContact O-CG 3.47Å; F116-L120 PolarHBondContact O-N 2.95Å
117M93.6Very high90.2Very high89 Ų8950.3 Ų50.344%0.43827%0.266SS..Hα-helixtrans-61.8-41175.7-71-59.9-66.200111.9I113 L114 L120 C121I113-M117 WeakPolarHBondContact O-CG 3.25Å; I113-M117 PolarHBondContact O-N 2.91Å; L114-M117 PolarHBondContact O-N 2.96Å; M117-L120 PolarHBondContact O-N 3.49Å; M117-L120 HydrophobicContact SD-CD1 4.21Å; M117-C121 PolarHBondContact O-N 3.43Å; M117-C121 PolarHBondContact O-SG 2.87Å
118G93.2Very high89.7Confident0 Ų054.6 Ų54.60%028%0.281CS..Hα-helixtrans-59.8-46.3173.700000112.1L114 L115 F116 C121 I122L114-G118 PolarHBondContact O-N 2.72Å; L115-G118 PolarHBondContact O-N 3.41Å; F116-G118 VanDerWaalsContact C-N 3.34Å; F116-G118 PolarHBondContact O-N 3.41Å; G118-C121 WeakPolarHBondContact O-CB 3.37Å; G118-C121 PolarHBondContact O-N 3.49Å; G118-I122 WeakPolarHBondContact O-CG1 3.3Å; G118-I122 PolarHBondContact O-N 3.11Å
119G92.5Very high89Confident24 Ų2461.8 Ų61.825%0.24731%0.312CS..Hα-helixtrans-61.7-43.3175.400000112.9L115 F116 C121 I122 A123L115-G119 PolarHBondContact O-N 3.27Å; F116-G119 PolarHBondContact O-N 2.95Å; G119-C121 VanDerWaalsContact C-N 3.33Å; G119-C121 PolarHBondContact O-N 3.28Å; G119-I122 PolarHBondContact O-N 3.41Å; G119-A123 PolarHBondContact O-N 2.83Å
120L92.1Very high87.9Confident83 Ų8364.3 Ų64.344%0.43533%0.33SS..Hα-helixtrans-61.3-40.2172.8-71.7179.9000111.9F116 M117 A123 A124F116-L120 HydrophobicContact CD1-CD1 3.89Å; F116-L120 HydrophobicContact CD1-CG 4.42Å; F116-L120 HydrophobicContact CE1-CD1 3.45Å; F116-L120 VanDerWaalsContact CE1-CD1 3.45Å; F116-L120 HydrophobicContact CE1-CG 4.13Å; F116-L120 HydrophobicContact CZ-CD1 3.88Å; F116-L120 HydrophobicContact CZ-CD2 4.29Å; F116-L120 HydrophobicContact CZ-CG 4.17Å; F116-L120 WeakPolarHBondContact O-CG 3.47Å; F116-L120 PolarHBondContact O-N 2.95Å; M117-L120 PolarHBondContact O-N 3.49Å; M117-L120 HydrophobicContact SD-CD1 4.21Å; L120-A123 PolarHBondContact O-N 2.9Å; L120-A124 VanDerWaalsContact O-CB 3.24Å; L120-A124 WeakPolarHBondContact O-CB 3.4Å; L120-A124 PolarHBondContact O-N 3Å
121C92.1Very high86.9Confident22 Ų2269 Ų6915%0.14934%0.342CS..Hα-helixtrans-64.5-39174.8-68.20000112.1M117 G118 G119 S125 I134 A138M117-C121 PolarHBondContact O-N 3.43Å; M117-C121 PolarHBondContact O-SG 2.87Å; G118-C121 WeakPolarHBondContact O-CB 3.37Å; G118-C121 PolarHBondContact O-N 3.49Å; G119-C121 VanDerWaalsContact C-N 3.33Å; G119-C121 PolarHBondContact O-N 3.28Å; C121-S125 WeakPolarHBondContact O-CB 3.19Å; C121-S125 PolarHBondContact O-N 3.32Å; C121-I134 HydrophobicContact CB-CG2 4.24Å; C121-I134 WeakPolarHBondContact O-CG2 3.47Å; C121-A138 HydrophobicContact CB-CB 3.61Å
122I89.3Confident85.9Confident8 Ų871.9 Ų71.94%0.04136%0.356CS..Hα-helixtrans-64-49174.8-63.6165.5000109.9T13 T14 A17 G118 G119 A124 S125 E126 A138T13-I122 HydrophobicContact CG2-CD1 4.11Å; T14-I122 HydrophobicContact CG2-CG2 3.68Å; A17-I122 HydrophobicContact CB-CD1 3.9Å; G118-I122 WeakPolarHBondContact O-CG1 3.3Å; G118-I122 PolarHBondContact O-N 3.11Å; G119-I122 PolarHBondContact O-N 3.41Å; I122-A124 PolarHBondContact O-N 3.34Å; I122-S125 WeakPolarHBondContact O-CB 3.17Å; I122-S125 PolarHBondContact O-N 3.38Å; I122-S125 PolarHBondContact O-OG 3.33Å; I122-E126 PolarHBondContact O-N 3.18Å; I122-A138 HydrophobicContact CG1-CB 3.88Å
123A88.2Confident85.4Confident36 Ų3676.6 Ų76.630%0.29838%0.38SS..Hα-helixtrans-60-44.4177.300000111.9G119 L120 S125 E126 F127G119-A123 PolarHBondContact O-N 2.83Å; L120-A123 PolarHBondContact O-N 2.9Å; A123-S125 PolarHBondContact O-N 2.77Å; A123-E126 WeakPolarHBondContact O-CB 3.49Å; A123-E126 PolarHBondContact O-N 3.4Å; A123-E126 VanDerWaalsContact O-N 3.12Å; A123-F127 VanDerWaalsContact O-CD2 3.26Å; A123-F127 WeakPolarHBondContact O-CD2 3.4Å; A123-F127 PolarHBondContact O-N 2.85Å
124A88.3Confident85Confident35 Ų3574.2 Ų74.229%0.28937%0.368SS..Hα-helixtrans-62.8-31.4175.500000112.4L120 I122 E126 F127 Y128L120-A124 VanDerWaalsContact O-CB 3.24Å; L120-A124 WeakPolarHBondContact O-CB 3.4Å; L120-A124 PolarHBondContact O-N 3Å; I122-A124 PolarHBondContact O-N 3.34Å; A124-E126 VanDerWaalsContact C-N 3.27Å; A124-E126 PolarHBondContact O-N 3.48Å; A124-F127 PolarHBondContact O-N 2.81Å; A124-Y128 PolarHBondContact O-N 3.34Å
125S86.1Confident84.7Confident17 Ų1773.2 Ų73.212%0.11936%0.362CS..Hα-helixtrans-68.4-25.4176.5830000113.3C121 I122 A123C121-S125 WeakPolarHBondContact O-CB 3.19Å; C121-S125 PolarHBondContact O-N 3.32Å; I122-S125 WeakPolarHBondContact O-CB 3.17Å; I122-S125 PolarHBondContact O-N 3.38Å; I122-S125 PolarHBondContact O-OG 3.33Å; A123-S125 PolarHBondContact O-N 2.77Å
126E82.7Confident84.4Confident91 Ų9176.4 Ų76.443%0.42538%0.379SS..Hα-helixtrans-70-46.3172.2-72.4-174.6174.300111.5M10 T14 I122 A123 A124M10-E126 HydrophobicContact CE-CB 4.24Å; M10-E126 HydrophobicContact CE-CG 3.16Å; M10-E126 HydrophobicContact CG-CG 4.5Å; M10-E126 HydrophobicContact SD-CG 3.96Å; T14-E126 WeakPolarHBondContact CG2-OE1 3.19Å; I122-E126 PolarHBondContact O-N 3.18Å; A123-E126 WeakPolarHBondContact O-CB 3.49Å; A123-E126 PolarHBondContact O-N 3.4Å; A123-E126 VanDerWaalsContact O-N 3.12Å; A124-E126 VanDerWaalsContact C-N 3.27Å; A124-E126 PolarHBondContact O-N 3.48Å
127F83Confident84.2Confident170 Ų17073.2 Ų73.275%0.74637%0.37SS*.Hα-helixtrans-70.7-42.6179.7-70.2-74.2000112.4A123 A124 K129A123-F127 VanDerWaalsContact O-CD2 3.26Å; A123-F127 WeakPolarHBondContact O-CD2 3.4Å; A123-F127 PolarHBondContact O-N 2.85Å; A124-F127 PolarHBondContact O-N 2.81Å; F127-K129 PolarHBondContact O-N 3.32Å
128Y75.7Confident84.1Confident153 Ų15369 Ų6960%0.635%0.349SS*.  trans-104.468-176.2-64.3-75.1000112A124 T130 R131A124-Y128 PolarHBondContact O-N 3.34Å; Y128-T130 PolarHBondContact O-N 3.45Å; Y128-R131 PolarHBondContact O-N 3.02Å
129K71.1Confident84Confident157 Ų15769 Ų6968%0.68335%0.349SS*.THydrogen-bonded Turntrans-54.1-16.5176.7-167.9171-176.51740114.5F127F127-K129 PolarHBondContact O-N 3.32Å
130T65.2Low84.1Confident110 Ų11072.5 Ų72.568%0.67536%0.361SS*.THydrogen-bonded Turntrans-79.3-24.9-176.758.30000113.8Y128 H132Y128-T130 PolarHBondContact O-N 3.45Å; T130-H132 PolarHBondContact O-ND1 3.4Å
131R70.8Confident84.1Confident176 Ų17672 Ų7266%0.66436%0.356SS*.  trans-104.585.3-172.3-70.6-85.5-171.2148.71.9111.3Y128 N133 I134Y128-R131 PolarHBondContact O-N 3.02Å; R131-N133 PolarHBondContact O-N 3.44Å; R131-I134 HydrophobicContact CB-CD1 3.58Å; R131-I134 HydrophobicContact CB-CG1 3.89Å; R131-I134 HydrophobicContact CG-CD1 4.36Å; R131-I134 PolarHBondContact O-N 2.83Å
132H71.6Confident84.2Confident62 Ų6271.1 Ų71.129%0.28735%0.349SS..THydrogen-bonded Turntrans-58.8-20.1-179.2-5795.9000115.1T130 I134 I135 F201 R204T130-H132 PolarHBondContact O-ND1 3.4Å; H132-I134 VanDerWaalsContact C-N 3.35Å; H132-I135 WeakPolarHBondContact O-CG2 3.45Å; H132-F201 WeakPolarHBondContact O-CE2 3.46Å; H132-R204 PolarHBondContact NE2-NE 3.05Å
133N80.7Confident84.5Confident126 Ų12672.8 Ų72.867%0.67436%0.36SS*.Hα-helixtrans-76.4-20.8-178.2-60.2-19.2000113.2R131 I135 L136 S137R131-N133 PolarHBondContact O-N 3.44Å; N133-I135 PolarHBondContact O-N 2.9Å; N133-L136 PolarHBondContact O-N 2.99Å; N133-S137 PolarHBondContact O-N 3.43Å; N133-S137 PolarHBondContact O-OG 2.91Å
134I86.6Confident84.7Confident41 Ų4173 Ų7321%0.2136%0.359CS..Hα-helixtrans-67.5-37.2-174.3-60.3177.2000111.4C121 R131 H132 L136 S137 A138C121-I134 HydrophobicContact CB-CG2 4.24Å; C121-I134 WeakPolarHBondContact O-CG2 3.47Å; R131-I134 HydrophobicContact CB-CD1 3.58Å; R131-I134 HydrophobicContact CB-CG1 3.89Å; R131-I134 HydrophobicContact CG-CD1 4.36Å; R131-I134 PolarHBondContact O-N 2.83Å; H132-I134 VanDerWaalsContact C-N 3.35Å; I134-L136 VanDerWaalsContact C-N 3.34Å; I134-L136 PolarHBondContact O-N 3.25Å; I134-S137 WeakPolarHBondContact CA-OG 3.45Å; I134-S137 PolarHBondContact O-N 3.43Å; I134-S137 PolarHBondContact O-OG 2.86Å; I134-A138 WeakPolarHBondContact O-CB 3.42Å; I134-A138 PolarHBondContact O-N 2.89Å
135I87.3Confident85Confident28 Ų2871.3 Ų71.314%0.14435%0.346CS..Hα-helixtrans-70.7-31.3-179.9-166.3165.5000112.2H132 N133 A138 G139 M200 F201H132-I135 WeakPolarHBondContact O-CG2 3.45Å; N133-I135 PolarHBondContact O-N 2.9Å; I135-A138 PolarHBondContact O-N 2.81Å; I135-G139 PolarHBondContact O-N 2.78Å; I135-M200 HydrophobicContact CD1-CB 3.94Å; I135-M200 HydrophobicContact CD1-CE 4.33Å; I135-F201 HydrophobicContact CG2-CB 3.96Å; I135-F201 HydrophobicContact CG2-CD2 3.57Å; I135-F201 HydrophobicContact CG2-CG 4.22Å
136L88.1Confident85.4Confident70 Ų7070.6 Ų70.637%0.36634%0.34SS..Hα-helixtrans-67.1-46.2173.1175.3147000110.6N133 I134 A138 G139 I140 F201N133-L136 PolarHBondContact O-N 2.99Å; I134-L136 VanDerWaalsContact C-N 3.34Å; I134-L136 PolarHBondContact O-N 3.25Å; L136-A138 VanDerWaalsContact C-N 3.28Å; L136-A138 PolarHBondContact O-N 3.16Å; L136-G139 PolarHBondContact O-N 2.96Å; L136-I140 HydrophobicContact CD2-CD1 3.48Å; L136-I140 VanDerWaalsContact CD2-CD1 3.48Å; L136-I140 HydrophobicContact CD2-CG1 4.47Å; L136-I140 HydrophobicContact CG-CD1 4.17Å; L136-I140 WeakPolarHBondContact O-CG1 3.39Å; L136-I140 PolarHBondContact O-N 2.85Å; L136-F201 HydrophobicContact CB-CD1 4.32Å; L136-F201 HydrophobicContact CB-CD2 3.83Å; L136-F201 HydrophobicContact CB-CE1 4.32Å; L136-F201 HydrophobicContact CB-CE2 3.78Å; L136-F201 HydrophobicContact CB-CG 4.08Å; L136-F201 HydrophobicContact CB-CZ 4.04Å; L136-F201 HydrophobicContact CD1-CD1 3.93Å; L136-F201 HydrophobicContact CD1-CE1 3.38Å; L136-F201 HydrophobicContact CD1-CE2 4.13Å; L136-F201 HydrophobicContact CD1-CZ 3.47Å; L136-F201 VanDerWaalsContact CD1-CZ 3.47Å; L136-F201 HydrophobicContact CG-CE1 4.41Å; L136-F201 HydrophobicContact CG-CZ 4.4Å
137S89.7Confident85.8Confident39 Ų3970.7 Ų70.727%0.27334%0.343SS..Hα-helixtrans-62.1-37.9175.348.50000111.9N133 I134 I140 F141N133-S137 PolarHBondContact O-N 3.43Å; N133-S137 PolarHBondContact O-OG 2.91Å; I134-S137 WeakPolarHBondContact CA-OG 3.45Å; I134-S137 PolarHBondContact O-N 3.43Å; I134-S137 PolarHBondContact O-OG 2.86Å; S137-I140 PolarHBondContact O-N 3.49Å; S137-F141 WeakPolarHBondContact O-CD2 3.38Å; S137-F141 WeakPolarHBondContact O-CG 3.49Å; S137-F141 PolarHBondContact O-N 3.1Å
138A91.3Very high86.3Confident0 Ų063.3 Ų63.30%031%0.313CS..Hα-helixtrans-60.5-47.3176.200000112C121 I122 I134 I135 L136 I140 F141 F142C121-A138 HydrophobicContact CB-CB 3.61Å; I122-A138 HydrophobicContact CG1-CB 3.88Å; I134-A138 WeakPolarHBondContact O-CB 3.42Å; I134-A138 PolarHBondContact O-N 2.89Å; I135-A138 PolarHBondContact O-N 2.81Å; L136-A138 VanDerWaalsContact C-N 3.28Å; L136-A138 PolarHBondContact O-N 3.16Å; A138-I140 PolarHBondContact O-N 3.45Å; A138-F141 PolarHBondContact O-N 3.32Å; A138-F142 WeakPolarHBondContact O-CB 3.45Å; A138-F142 PolarHBondContact O-N 3.45Å
139G92.2Very high87Confident1 Ų156 Ų561%0.0129%0.285CS..Hα-helixtrans-60.7-42.6176.700000112.7I135 L136 F142 V143I135-G139 PolarHBondContact O-N 2.78Å; L136-G139 PolarHBondContact O-N 2.96Å; G139-F142 PolarHBondContact O-N 2.92Å; G139-V143 WeakPolarHBondContact O-CG2 3.29Å; G139-V143 PolarHBondContact O-N 2.99Å
140I93.2Very high88Confident98 Ų9851 Ų5150%0.50327%0.265SS..Hα-helixtrans-63.5-46.4176.9-65.9169.8000111L136 S137 A138 F142 V143 S144L136-I140 HydrophobicContact CD2-CD1 3.48Å; L136-I140 VanDerWaalsContact CD2-CD1 3.48Å; L136-I140 HydrophobicContact CD2-CG1 4.47Å; L136-I140 HydrophobicContact CG-CD1 4.17Å; L136-I140 WeakPolarHBondContact O-CG1 3.39Å; L136-I140 PolarHBondContact O-N 2.85Å; S137-I140 PolarHBondContact O-N 3.49Å; A138-I140 PolarHBondContact O-N 3.45Å; I140-F142 PolarHBondContact O-N 3.44Å; I140-V143 PolarHBondContact O-N 2.82Å; I140-S144 VanDerWaalsContact O-CB 3.27Å; I140-S144 WeakPolarHBondContact O-CB 3.29Å; I140-S144 PolarHBondContact O-N 3.27Å; I140-S144 PolarHBondContact O-OG 3.37Å
141F93.8Very high89.2Confident73 Ų7349.7 Ų49.732%0.3225%0.252SS..Hα-helixtrans-59.5-40.1177.8-71.4-41.9000111.6L114 S137 A138 S144 A145L114-F141 HydrophobicContact CD2-CD1 4.4Å; S137-F141 WeakPolarHBondContact O-CD2 3.38Å; S137-F141 WeakPolarHBondContact O-CG 3.49Å; S137-F141 PolarHBondContact O-N 3.1Å; A138-F141 PolarHBondContact O-N 3.32Å; F141-S144 WeakPolarHBondContact CA-OG 3.3Å; F141-S144 PolarHBondContact O-N 2.85Å; F141-S144 PolarHBondContact O-OG 2.81Å; F141-A145 VanDerWaalsContact O-CB 3.27Å; F141-A145 WeakPolarHBondContact O-CB 3.46Å; F141-A145 PolarHBondContact O-N 3.42Å
142F93.8Very high90Very high2 Ų241.6 Ų41.61%0.00922%0.224CC..Hα-helixtrans-72.1-40.8-176.7-156.8-104.8000113A17 A20 L115 A138 G139 I140 A145 G146 A190 V193A17-F142 HydrophobicContact CB-CE2 4.11Å; A17-F142 HydrophobicContact CB-CZ 4.37Å; A20-F142 HydrophobicContact CB-CE2 4.46Å; A20-F142 HydrophobicContact CB-CZ 3.99Å; L115-F142 HydrophobicContact CD2-CD2 3.51Å; L115-F142 HydrophobicContact CD2-CE2 3.37Å; L115-F142 HydrophobicContact CD2-CG 4.3Å; L115-F142 HydrophobicContact CD2-CZ 4.1Å; A138-F142 WeakPolarHBondContact O-CB 3.45Å; A138-F142 PolarHBondContact O-N 3.45Å; G139-F142 PolarHBondContact O-N 2.92Å; I140-F142 PolarHBondContact O-N 3.44Å; F142-A145 WeakPolarHBondContact O-CB 3.29Å; F142-A145 PolarHBondContact O-N 3.34Å; F142-G146 PolarHBondContact O-N 3.38Å; F142-A190 HydrophobicContact CD1-CB 4.27Å; F142-A190 WeakPolarHBondContact CD1-O 3.35Å; F142-A190 HydrophobicContact CE1-CB 3.82Å; F142-A190 WeakPolarHBondContact CE1-O 3.18Å; F142-A190 HydrophobicContact CZ-CB 3.98Å; F142-V193 HydrophobicContact CD1-CB 4.15Å; F142-V193 HydrophobicContact CD1-CG1 3.96Å; F142-V193 HydrophobicContact CE1-CB 3.26Å; F142-V193 HydrophobicContact CE1-CG1 3.29Å; F142-V193 HydrophobicContact CE2-CG1 4.3Å; F142-V193 HydrophobicContact CZ-CB 3.73Å; F142-V193 HydrophobicContact CZ-CG1 3.53Å
143V94.2Very high90.7Very high43 Ų4339 Ų3926%0.26121%0.212SC..Hα-helixtrans-64.4-44.9170174.50000110.7G139 I140 A145 G146 L147G139-V143 WeakPolarHBondContact O-CG2 3.29Å; G139-V143 PolarHBondContact O-N 2.99Å; I140-V143 PolarHBondContact O-N 2.82Å; V143-A145 VanDerWaalsContact C-N 3.26Å; V143-A145 PolarHBondContact O-N 3.15Å; V143-G146 PolarHBondContact O-N 2.75Å; V143-L147 HydrophobicContact CG1-CD1 4.2Å; V143-L147 HydrophobicContact CG1-CG 4.48Å; V143-L147 WeakPolarHBondContact O-CG 3.39Å; V143-L147 PolarHBondContact O-N 3.22Å
144S94Very high91Very high40 Ų4037.7 Ų37.728%0.2820%0.204SC..Hα-helixtrans-62.7-34.5177.773.70000112.4I140 F141 L147 S148I140-S144 VanDerWaalsContact O-CB 3.27Å; I140-S144 WeakPolarHBondContact O-CB 3.29Å; I140-S144 PolarHBondContact O-N 3.27Å; I140-S144 PolarHBondContact O-OG 3.37Å; F141-S144 WeakPolarHBondContact CA-OG 3.3Å; F141-S144 PolarHBondContact O-N 2.85Å; F141-S144 PolarHBondContact O-OG 2.81Å; S144-L147 PolarHBondContact O-N 2.95Å; S144-S148 WeakPolarHBondContact O-CB 3.3Å; S144-S148 PolarHBondContact O-N 2.91Å; S144-S148 PolarHBondContact O-OG 3.48Å
145A94.2Very high90.9Very high1 Ų136.7 Ų36.71%0.00820%0.2CC..Hα-helixtrans-65.7-45.9175.100000110.9S111 L114 L115 F141 F142 V143 L147 S148 N149S111-A145 WeakPolarHBondContact CB-O 3.04Å; L114-A145 HydrophobicContact CB-CB 3.58Å; L115-A145 HydrophobicContact CD2-CB 3.78Å; L115-A145 HydrophobicContact CG-CB 3.78Å; F141-A145 VanDerWaalsContact O-CB 3.27Å; F141-A145 WeakPolarHBondContact O-CB 3.46Å; F141-A145 PolarHBondContact O-N 3.42Å; F142-A145 WeakPolarHBondContact O-CB 3.29Å; F142-A145 PolarHBondContact O-N 3.34Å; V143-A145 VanDerWaalsContact C-N 3.26Å; V143-A145 PolarHBondContact O-N 3.15Å; A145-L147 PolarHBondContact O-N 2.91Å; A145-S148 WeakPolarHBondContact CA-OG 3.43Å; A145-S148 PolarHBondContact O-N 3.43Å; A145-S148 PolarHBondContact O-OG 2.76Å; A145-N149 PolarHBondContact O-N 2.63Å
146G93.7Very high90.7Very high1 Ų135.7 Ų35.71%0.0119%0.194CC..Hα-helixtrans-56.3-49.117400000112.1F142 V143 S148 N149 I150 F187F142-G146 PolarHBondContact O-N 3.38Å; V143-G146 PolarHBondContact O-N 2.75Å; G146-S148 PolarHBondContact O-N 3.25Å; G146-N149 WeakPolarHBondContact O-CB 3.29Å; G146-N149 PolarHBondContact O-N 2.92Å; G146-N149 VanDerWaalsContact O-N 3.15Å; G146-I150 PolarHBondContact O-N 3.34Å; G146-F187 WeakPolarHBondContact O-CD2 3.34Å; G146-F187 WeakPolarHBondContact O-CE2 3.44Å
147L92.7Very high90.5Very high93 Ų9335.1 Ų35.149%0.48719%0.191SC..Hα-helixtrans-61.1-41176.6-66.9177.3000112.9V143 S144 A145 N149 I150 I151V143-L147 HydrophobicContact CG1-CD1 4.2Å; V143-L147 HydrophobicContact CG1-CG 4.48Å; V143-L147 WeakPolarHBondContact O-CG 3.39Å; V143-L147 PolarHBondContact O-N 3.22Å; S144-L147 PolarHBondContact O-N 2.95Å; A145-L147 PolarHBondContact O-N 2.91Å; L147-N149 VanDerWaalsContact C-N 3.32Å; L147-N149 PolarHBondContact O-N 3.48Å; L147-I150 WeakPolarHBondContact O-CG2 3Å; L147-I151 WeakPolarHBondContact O-CD1 3.21Å; L147-I151 VanDerWaalsContact O-CG1 3.25Å; L147-I151 WeakPolarHBondContact O-CG1 3.29Å; L147-I151 PolarHBondContact O-N 3.48Å
148S92.2Very high90.1Very high16 Ų1635.4 Ų35.411%0.11219%0.193CC..Hα-helixtrans-66.7-35175.668.90000112.4S111 S144 A145 G146 G152S111-S148 WeakPolarHBondContact CA-OG 3.23Å; S111-S148 WeakPolarHBondContact CB-OG 3.36Å; S144-S148 WeakPolarHBondContact O-CB 3.3Å; S144-S148 PolarHBondContact O-N 2.91Å; S144-S148 PolarHBondContact O-OG 3.48Å; A145-S148 WeakPolarHBondContact CA-OG 3.43Å; A145-S148 PolarHBondContact O-N 3.43Å; A145-S148 PolarHBondContact O-OG 2.76Å; G146-S148 PolarHBondContact O-N 3.25Å; S148-G152 PolarHBondContact O-N 2.94Å
149N91.3Very high89.2Confident0 Ų036.6 Ų36.60%020%0.202CC..Hα-helixtrans-68.3-47.3176.7-177.733.4000111.9M24 A145 G146 L147 I151 G152 I153 G183M24-N149 HydrophobicContact CE-CB 3.66Å; M24-N149 WeakPolarHBondContact CE-ND2 3.2Å; A145-N149 PolarHBondContact O-N 2.63Å; G146-N149 WeakPolarHBondContact O-CB 3.29Å; G146-N149 PolarHBondContact O-N 2.92Å; G146-N149 VanDerWaalsContact O-N 3.15Å; L147-N149 VanDerWaalsContact C-N 3.32Å; L147-N149 PolarHBondContact O-N 3.48Å; N149-I151 VanDerWaalsContact C-N 3.25Å; N149-I151 PolarHBondContact O-N 2.95Å; N149-G152 CarbonylContact O-C 3.59Å; N149-G152 WeakPolarHBondContact O-CA 3.4Å; N149-G152 PolarHBondContact O-N 3.19Å; N149-I153 WeakPolarHBondContact O-CG1 3.5Å; N149-I153 PolarHBondContact O-N 3.33Å; N149-G183 PolarHBondContact ND2-O 2.05Å
150I91.3Very high88.3Confident52 Ų5238 Ų3827%0.26721%0.21SC..Hα-helixtrans-61.7-37.4179.9-168.965.8000111.1G146 L147 I153 I154 F187G146-I150 PolarHBondContact O-N 3.34Å; L147-I150 WeakPolarHBondContact O-CG2 3Å; I150-I153 PolarHBondContact O-N 2.93Å; I150-I154 HydrophobicContact CG1-CD1 4.06Å; I150-I154 WeakPolarHBondContact O-CD1 3.1Å; I150-I154 WeakPolarHBondContact O-CG1 3.35Å; I150-I154 PolarHBondContact O-N 3.15Å; I150-F187 HydrophobicContact CB-CD2 4.18Å; I150-F187 HydrophobicContact CB-CE2 3.97Å; I150-F187 HydrophobicContact CB-CZ 4.25Å; I150-F187 HydrophobicContact CD1-CD1 4.49Å; I150-F187 HydrophobicContact CD1-CE1 4.42Å; I150-F187 HydrophobicContact CG1-CZ 4.49Å; I150-F187 HydrophobicContact CG2-CE2 4.13Å; I150-F187 HydrophobicContact CG2-CZ 4.49Å
151I89.7Confident87.1Confident81 Ų8137.1 Ų37.142%0.41522%0.218SC..Hα-helixtrans-61.1-46172.1-66.8165.6000110.3F107 L147 N149 I153 I154 V155F107-I151 HydrophobicContact CD2-CG2 4.42Å; F107-I151 HydrophobicContact CG-CG2 4.43Å; L147-I151 WeakPolarHBondContact O-CD1 3.21Å; L147-I151 VanDerWaalsContact O-CG1 3.25Å; L147-I151 WeakPolarHBondContact O-CG1 3.29Å; L147-I151 PolarHBondContact O-N 3.48Å; N149-I151 VanDerWaalsContact C-N 3.25Å; N149-I151 PolarHBondContact O-N 2.95Å; I151-I153 VanDerWaalsContact C-N 3.34Å; I151-I153 PolarHBondContact O-N 3.32Å; I151-I154 PolarHBondContact O-N 2.68Å; I151-V155 HydrophobicContact CG2-CG2 4.43Å; I151-V155 WeakPolarHBondContact O-CG2 3.21Å; I151-V155 PolarHBondContact O-N 3.24Å
152G88.2Confident85.5Confident6 Ų635.9 Ų35.96%0.06223%0.225CC..Hα-helixtrans-57.8-43.5175.500000113.4S148 N149 V155 Y156S148-G152 PolarHBondContact O-N 2.94Å; N149-G152 CarbonylContact O-C 3.59Å; N149-G152 WeakPolarHBondContact O-CA 3.4Å; N149-G152 PolarHBondContact O-N 3.19Å; G152-V155 PolarHBondContact O-N 3.48Å; G152-Y156 WeakPolarHBondContact O-CB 3.43Å; G152-Y156 PolarHBondContact O-N 3.12Å
153I85.8Confident83.8Confident8 Ų839.5 Ų39.54%0.04125%0.245CC..Hα-helixtrans-63.9-45176.2-68.2171.7000110.8N149 I150 I151 V155 Y156 I157 F180N149-I153 WeakPolarHBondContact O-CG1 3.5Å; N149-I153 PolarHBondContact O-N 3.33Å; I150-I153 PolarHBondContact O-N 2.93Å; I151-I153 VanDerWaalsContact C-N 3.34Å; I151-I153 PolarHBondContact O-N 3.32Å; I153-V155 PolarHBondContact O-N 2.67Å; I153-Y156 WeakPolarHBondContact O-CB 3.18Å; I153-Y156 PolarHBondContact O-N 3.5Å; I153-I157 HydrophobicContact CG2-CD1 4.07Å; I153-I157 WeakPolarHBondContact O-CG1 3.25Å; I153-I157 PolarHBondContact O-N 3.43Å; I153-F180 HydrophobicContact CG2-CE2 3.68Å; I153-F180 HydrophobicContact CG2-CZ 3.81Å
154I87.7Confident81.6Confident98 Ų9842.1 Ų42.150%0.50326%0.262SS..Hα-helixtrans-61.9-44.7178.6-69.3163.4000110.6I150 I151 Y156 I157 S158I150-I154 HydrophobicContact CG1-CD1 4.06Å; I150-I154 WeakPolarHBondContact O-CD1 3.1Å; I150-I154 WeakPolarHBondContact O-CG1 3.35Å; I150-I154 PolarHBondContact O-N 3.15Å; I151-I154 PolarHBondContact O-N 2.68Å; I154-Y156 VanDerWaalsContact C-N 3.31Å; I154-Y156 PolarHBondContact O-N 2.58Å; I154-I157 PolarHBondContact O-N 2.59Å; I154-S158 PolarHBondContact O-N 3.13Å; I154-S158 PolarHBondContact O-OG 3.39Å
155V85.3Confident79.5Confident20 Ų2045 Ų4512%0.12128%0.282CS..Hα-helixtrans-65.6-36.7177.5177.10000111.4L98 V101 I151 G152 I153 I157 S158 A159L98-V155 HydrophobicContact CD2-CG1 4.07Å; V101-V155 HydrophobicContact CB-CG1 4.02Å; V101-V155 HydrophobicContact CG1-CB 4.22Å; V101-V155 HydrophobicContact CG1-CG1 3.52Å; V101-V155 HydrophobicContact CG1-CG2 4.34Å; I151-V155 HydrophobicContact CG2-CG2 4.43Å; I151-V155 WeakPolarHBondContact O-CG2 3.21Å; I151-V155 PolarHBondContact O-N 3.24Å; G152-V155 PolarHBondContact O-N 3.48Å; I153-V155 PolarHBondContact O-N 2.67Å; V155-I157 PolarHBondContact O-N 3.43Å; V155-S158 WeakPolarHBondContact CA-OG 3.4Å; V155-S158 PolarHBondContact O-N 3.21Å; V155-S158 PolarHBondContact O-OG 3.41Å; V155-S158 VanDerWaalsContact O-OG 3.05Å; V155-A159 VanDerWaalsContact O-CB 3.29Å; V155-A159 WeakPolarHBondContact O-CB 3.47Å; V155-A159 PolarHBondContact O-N 3.18Å
156Y82.8Confident77.5Confident7 Ų748.5 Ų48.53%0.02730%0.298CS..Hα-helixtrans-61.6-43.3173.9179.9-97.6000111.8W33 L34 L63 G152 I153 I154 N160 F180W33-Y156 HydrophobicContact CB-CE1 4.25Å; W33-Y156 WeakPolarHBondContact CB-OH 3.45Å; W33-Y156 AromaticContact CE3-CD1 3.83Å; W33-Y156 HydrophobicContact CE3-CD1 3.83Å; W33-Y156 HydrophobicContact CE3-CD2 4.24Å; W33-Y156 AromaticContact CE3-CE1 3.75Å; W33-Y156 HydrophobicContact CE3-CE1 3.75Å; W33-Y156 HydrophobicContact CE3-CE2 4.17Å; W33-Y156 HydrophobicContact CE3-CG 4.08Å; W33-Y156 AromaticContact CE3-CZ 3.93Å; W33-Y156 HydrophobicContact CZ3-CD1 4.22Å; W33-Y156 HydrophobicContact CZ3-CG 4.2Å; L34-Y156 WeakPolarHBondContact CB-OH 3.37Å; L63-Y156 HydrophobicContact CD1-CD2 4.3Å; G152-Y156 WeakPolarHBondContact O-CB 3.43Å; G152-Y156 PolarHBondContact O-N 3.12Å; I153-Y156 WeakPolarHBondContact O-CB 3.18Å; I153-Y156 PolarHBondContact O-N 3.5Å; I154-Y156 VanDerWaalsContact C-N 3.31Å; I154-Y156 PolarHBondContact O-N 2.58Å; Y156-N160 VanDerWaalsContact CE1-ND2 3.29Å; Y156-N160 WeakPolarHBondContact CE1-ND2 3.04Å; Y156-N160 VanDerWaalsContact CZ-ND2 3.3Å; Y156-N160 PolarHBondContact O-N 3.23Å; Y156-N160 PolarHBondContact O-ND2 3.24Å; Y156-F180 HydrophobicContact CD1-CD2 4.4Å; Y156-F180 HydrophobicContact CD1-CE2 4.36Å; Y156-F180 HydrophobicContact CE1-CD2 4.48Å
157I82.9Confident75.1Confident59 Ų5951.6 Ų51.630%0.30332%0.319SS..Hα-helixtrans-67.5-45.9177.4-61.6164.6000110.7I153 I154 V155 A159 N160 A161 F180I153-I157 HydrophobicContact CG2-CD1 4.07Å; I153-I157 WeakPolarHBondContact O-CG1 3.25Å; I153-I157 PolarHBondContact O-N 3.43Å; I154-I157 PolarHBondContact O-N 2.59Å; V155-I157 PolarHBondContact O-N 3.43Å; I157-A159 VanDerWaalsContact C-N 3.33Å; I157-A159 PolarHBondContact O-N 2.91Å; I157-N160 PolarHBondContact O-N 3.4Å; I157-A161 PolarHBondContact O-N 2.91Å; I157-F180 HydrophobicContact CD1-CE2 4.25Å; I157-F180 HydrophobicContact CD1-CZ 3.89Å; I157-F180 HydrophobicContact CG1-CE2 4.11Å; I157-F180 HydrophobicContact CG1-CZ 4.18Å
158S81.2Confident73.1Confident45 Ų4553.2 Ų53.232%0.31533%0.328SS..Hα-helixtrans-63-40.1-177.568.30000112.1I154 V155 N160 A161 G162I154-S158 PolarHBondContact O-N 3.13Å; I154-S158 PolarHBondContact O-OG 3.39Å; V155-S158 WeakPolarHBondContact CA-OG 3.4Å; V155-S158 PolarHBondContact O-N 3.21Å; V155-S158 PolarHBondContact O-OG 3.41Å; V155-S158 VanDerWaalsContact O-OG 3.05Å; S158-N160 PolarHBondContact O-N 2.84Å; S158-A161 PolarHBondContact O-N 3.22Å; S158-G162 PolarHBondContact O-N 3.33Å; S158-G162 VanDerWaalsContact O-N 3.13Å
159A74Confident71.1Confident24 Ų2458.2 Ų58.220%0.19836%0.363CS..Hα-helixtrans-69.6-19.9176.200000113.5R102 V155 I157R102-A159 HydrophobicContact CB-CB 4.29Å; R102-A159 PolarHBondContact NH1-O 3.48Å; V155-A159 VanDerWaalsContact O-CB 3.29Å; V155-A159 WeakPolarHBondContact O-CB 3.47Å; V155-A159 PolarHBondContact O-N 3.18Å; I157-A159 VanDerWaalsContact C-N 3.33Å; I157-A159 PolarHBondContact O-N 2.91Å
160N73.1Confident69.1Low30 Ų3062.3 Ų62.316%0.1638%0.381CS..Hα-helixtrans-89.4-23.9172.3-76.4-55.6000112.8R102 Y156 I157 S158R102-N160 VanDerWaalsContact NH1-CG 3.34Å; R102-N160 PolarHBondContact NH1-OD1 3.48Å; R102-N160 PolarHBondContact NH2-OD1 3.46Å; Y156-N160 VanDerWaalsContact CE1-ND2 3.29Å; Y156-N160 WeakPolarHBondContact CE1-ND2 3.04Å; Y156-N160 VanDerWaalsContact CZ-ND2 3.3Å; Y156-N160 PolarHBondContact O-N 3.23Å; Y156-N160 PolarHBondContact O-ND2 3.24Å; I157-N160 PolarHBondContact O-N 3.4Å; S158-N160 PolarHBondContact O-N 2.84Å
161A68Low67.2Low81 Ų8166 Ų6667%0.66940%0.395SS*.Hα-helixtrans-80.6-26.4178.100000113.1I157 S158 D163I157-A161 PolarHBondContact O-N 2.91Å; S158-A161 PolarHBondContact O-N 3.22Å; A161-D163 VanDerWaalsContact C-N 3.26Å; A161-D163 PolarHBondContact O-N 3.45Å
162G60.5Low65.3Low47 Ų4769.8 Ų69.849%0.48542%0.416SS..  trans-78.211.6-176.100000116.4S158 P164S158-G162 PolarHBondContact O-N 3.33Å; S158-G162 VanDerWaalsContact O-N 3.13Å; G162-P164 WeakPolarHBondContact O-CD 3.45Å
163D56.1Low64.1Low78 Ų7871.2 Ų71.242%0.41743%0.425SS..  trans-93.195-177-130.3-12.6000110.5A161 S165 K166A161-D163 VanDerWaalsContact C-N 3.26Å; A161-D163 PolarHBondContact O-N 3.45Å; D163-S165 PolarHBondContact O-N 3.3Å; D163-K166 PolarHBondContact O-N 3.02Å
164P49.7Very low63.4Low97 Ų9774.1 Ų74.163%0.6344%0.436SS*.G310 helixtrans-67.9-17.8-174.327.7-36.6000113.3G162 K166 S167G162-P164 WeakPolarHBondContact O-CD 3.45Å; P164-K166 PolarHBondContact O-N 2.86Å; P164-S167 WeakPolarHBondContact O-CB 3.47Å; P164-S167 PolarHBondContact O-N 3.09Å; P164-S167 PolarHBondContact O-OG 2.79Å
165S49Very low63.1Low100 Ų10072.8 Ų72.870%0.69944%0.435SS*.G310 helixtrans-67.6-7.117968.70000114.6D163D163-S165 PolarHBondContact O-N 3.3Å
166K52.2Low63.1Low75 Ų7576.2 Ų76.233%0.32645%0.447SS..G310 helixtrans-109.28.7178.7-61.5-174-175.2-172.10113D163 P164 D168 Y174D163-K166 PolarHBondContact O-N 3.02Å; P164-K166 PolarHBondContact O-N 2.86Å; K166-D168 PolarHBondContact O-N 3.27Å; K166-D168 VanDerWaalsContact O-N 3.08Å; K166-Y174 HydrophobicContact CD-CE2 3.91Å; K166-Y174 WeakPolarHBondContact CD-OH 3.37Å; K166-Y174 WeakPolarHBondContact CE-OH 3.37Å; K166-Y174 PolarHBondContact NZ-OH 3.2Å
167S43.7Very low63.3Low67 Ų6775.9 Ų75.947%0.46945%0.446SS..THydrogen-bonded Turntrans-73.1101.9178.665.70000110.7P164P164-S167 WeakPolarHBondContact O-CB 3.47Å; P164-S167 PolarHBondContact O-N 3.09Å; P164-S167 PolarHBondContact O-OG 2.79Å
168D51.1Low63.7Low126 Ų12681.7 Ų81.767%0.67446%0.464SS*.THydrogen-bonded Turntrans140.8-17.7131.8-63.8-24.5000114.5K166 K171K166-D168 PolarHBondContact O-N 3.27Å; K166-D168 VanDerWaalsContact O-N 3.08Å; D168-K171 WeakPolarHBondContact OD1-CE 3.12Å; D168-K171 IonicContact OD1-NZ 3.98Å; D168-K171 PolarHBondContact OD1-NZ 3.36Å
169S48.6Very low64.2Low121 Ų12179.7 Ų79.785%0.84645%0.45SS*.THydrogen-bonded Turntrans-122.6-17173.961.40000115.1
170K50.7Low64.9Low86 Ų8679.7 Ų79.737%0.37445%0.446SS..SBendtrans-107.31.2-175.1-107.6171.3-178.41650115.9E56 N172 S173E56-K170 WeakPolarHBondContact OE1-CE 3.48Å; E56-K170 IonicContact OE1-NZ 2.71Å; E56-K170 PolarHBondContact OE1-NZ 2.93Å; K170-N172 PolarHBondContact O-N 3.33Å; K170-S173 PolarHBondContact O-N 2.72Å
171K51.6Low65.9Low131 Ų13184.1 Ų84.157%0.5746%0.461SS*.G310 helixtrans-59.3-20.1-178.1-61.3-179-172.2167.10113.5D168D168-K171 WeakPolarHBondContact OD1-CE 3.12Å; D168-K171 IonicContact OD1-NZ 3.98Å; D168-K171 PolarHBondContact OD1-NZ 3.36Å
172N49.5Very low67.1Low160 Ų16084 Ų8486%0.85645%0.446SS*.G310 helixtrans-87.6-2.9180-80.625.1000116K170K170-N172 PolarHBondContact O-N 3.33Å
173S62Low68.6Low36 Ų3681.8 Ų81.825%0.25242%0.423SS..G310 helixtrans-109.522.3-175-70.70000114.7R37 K170R37-S173 PolarHBondContact NH1-OG 2.9Å; R37-S173 VanDerWaalsContact NH1-OG 3.16Å; K170-S173 PolarHBondContact O-N 2.72Å
174Y71.2Confident70.3Confident69 Ų6979.6 Ų79.627%0.27142%0.416SS..  trans-97.6119.4168.7-79.8-71.5000110.1L34 S36 K166L34-Y174 HydrophobicContact CD1-CD1 3.76Å; L34-Y174 HydrophobicContact CD1-CE1 4.03Å; L34-Y174 HydrophobicContact CD2-CD1 3.52Å; L34-Y174 HydrophobicContact CD2-CE1 3.52Å; L34-Y174 HydrophobicContact CG-CD1 3.85Å; L34-Y174 HydrophobicContact CG-CE1 4.23Å; S36-Y174 WeakPolarHBondContact OG-CE1 3.19Å; K166-Y174 HydrophobicContact CD-CE2 3.91Å; K166-Y174 WeakPolarHBondContact CD-OH 3.37Å; K166-Y174 WeakPolarHBondContact CE-OH 3.37Å; K166-Y174 PolarHBondContact NZ-OH 3.2Å
175S82.4Confident72.4Confident69 Ų6978.7 Ų78.748%0.48341%0.405SS..EExtended strand (participates in β ladder)trans-115.9125.4171.8-54.50000108.4Y35Y35-S175 WeakPolarHBondContact CB-O 3.31Å; Y35-S175 PolarHBondContact N-O 3.45Å; Y35-S175 PolarHBondContact O-N 3.16Å
176Y84.7Confident74.6Confident92 Ų9273.9 Ų73.936%0.36137%0.372SS..EExtended strand (participates in β ladder)trans-65.5139171.1-66.4-79.5000109.2F180Y176-F180 AromaticContact CD1-CD1 3.92Å; Y176-F180 HydrophobicContact CD1-CD1 3.92Å; Y176-F180 HydrophobicContact CD1-CD2 4.14Å; Y176-F180 HydrophobicContact CD1-CE1 4.06Å; Y176-F180 HydrophobicContact CD1-CE2 4.24Å; Y176-F180 AromaticContact CD1-CG 3.96Å; Y176-F180 HydrophobicContact CD1-CG 3.96Å; Y176-F180 HydrophobicContact CD1-CZ 4.22Å; Y176-F180 HydrophobicContact CE1-CE1 4.48Å; Y176-F180 HydrophobicContact CE1-CE2 4.33Å; Y176-F180 HydrophobicContact CE1-CZ 4.27Å; Y176-F180 HydrophobicContact CG-CD1 4.11Å; Y176-F180 HydrophobicContact CG-CE1 4.33Å; Y176-F180 HydrophobicContact CG-CG 4.5Å
177G87.3Confident76.6Confident1 Ų172.5 Ų72.51%0.0137%0.366CS..  trans-89.9170.5-179.500000113.3Y32 W33 S179 F180 Y181Y32-G177 CarbonylContact O-C 3.56Å; Y32-G177 WeakPolarHBondContact O-CA 3.27Å; W33-G177 PolarHBondContact O-N 3.24Å; G177-S179 PolarHBondContact O-N 3Å; G177-F180 WeakPolarHBondContact O-CB 3.32Å; G177-F180 PolarHBondContact O-N 3.21Å; G177-F180 VanDerWaalsContact O-N 3.13Å; G177-Y181 VanDerWaalsContact O-CD2 3.31Å; G177-Y181 WeakPolarHBondContact O-CD2 3.25Å; G177-Y181 PolarHBondContact O-N 2.9Å
178W90.8Very high79Confident180 Ų18073.8 Ų73.868%0.68237%0.366SS*.Hα-helixtrans-59.8-33.7-176.3-57.8109.8000112.8Y32 F180 Y181 F182Y32-W178 PolarHBondContact O-N 3Å; W178-F180 VanDerWaalsContact C-N 3.3Å; W178-F180 PolarHBondContact O-N 3.32Å; W178-Y181 HydrophobicContact CE3-CD2 4.49Å; W178-Y181 PolarHBondContact O-N 2.85Å; W178-F182 HydrophobicContact CB-CE2 4.3Å; W178-F182 WeakPolarHBondContact O-CD2 3.39Å; W178-F182 WeakPolarHBondContact O-CG 3.11Å; W178-F182 PolarHBondContact O-N 2.86Å
179S91.7Very high81.1Confident4 Ų469.9 Ų69.93%0.02835%0.345CS..Hα-helixtrans-63.4-36.5178.4-50.10000112.2A27 T30 Y32 G177 F182 G183A27-S179 VanDerWaalsContact CB-O 3.3Å; A27-S179 WeakPolarHBondContact CB-O 3.38Å; T30-S179 VanDerWaalsContact OG1-CB 3.3Å; T30-S179 WeakPolarHBondContact OG1-CB 3.38Å; T30-S179 PolarHBondContact OG1-OG 3.06Å; Y32-S179 WeakPolarHBondContact CB-OG 3.3Å; Y32-S179 VanDerWaalsContact O-CB 3.23Å; Y32-S179 WeakPolarHBondContact O-CB 3.31Å; Y32-S179 PolarHBondContact O-N 3.43Å; Y32-S179 VanDerWaalsContact O-N 3.16Å; Y32-S179 PolarHBondContact O-OG 3.32Å; G177-S179 PolarHBondContact O-N 3Å; S179-F182 PolarHBondContact O-N 2.8Å; S179-G183 PolarHBondContact O-N 3.45Å
180F90.2Very high83.3Confident23 Ų2364.1 Ų64.110%0.10131%0.305CS..Hα-helixtrans-63.8-45.6176179.5-93.4000111.1W33 I153 Y156 I157 Y176 G177 W178 F182 G183 A184W33-F180 HydrophobicContact CE3-CD2 4Å; W33-F180 HydrophobicContact CZ3-CD2 4.28Å; I153-F180 HydrophobicContact CG2-CE2 3.68Å; I153-F180 HydrophobicContact CG2-CZ 3.81Å; Y156-F180 HydrophobicContact CD1-CD2 4.4Å; Y156-F180 HydrophobicContact CD1-CE2 4.36Å; Y156-F180 HydrophobicContact CE1-CD2 4.48Å; I157-F180 HydrophobicContact CD1-CE2 4.25Å; I157-F180 HydrophobicContact CD1-CZ 3.89Å; I157-F180 HydrophobicContact CG1-CE2 4.11Å; I157-F180 HydrophobicContact CG1-CZ 4.18Å; Y176-F180 AromaticContact CD1-CD1 3.92Å; Y176-F180 HydrophobicContact CD1-CD1 3.92Å; Y176-F180 HydrophobicContact CD1-CD2 4.14Å; Y176-F180 HydrophobicContact CD1-CE1 4.06Å; Y176-F180 HydrophobicContact CD1-CE2 4.24Å; Y176-F180 AromaticContact CD1-CG 3.96Å; Y176-F180 HydrophobicContact CD1-CG 3.96Å; Y176-F180 HydrophobicContact CD1-CZ 4.22Å; Y176-F180 HydrophobicContact CE1-CE1 4.48Å; Y176-F180 HydrophobicContact CE1-CE2 4.33Å; Y176-F180 HydrophobicContact CE1-CZ 4.27Å; Y176-F180 HydrophobicContact CG-CD1 4.11Å; Y176-F180 HydrophobicContact CG-CE1 4.33Å; Y176-F180 HydrophobicContact CG-CG 4.5Å; G177-F180 WeakPolarHBondContact O-CB 3.32Å; G177-F180 PolarHBondContact O-N 3.21Å; G177-F180 VanDerWaalsContact O-N 3.13Å; W178-F180 VanDerWaalsContact C-N 3.3Å; W178-F180 PolarHBondContact O-N 3.32Å; F180-F182 VanDerWaalsContact C-N 3.35Å; F180-F182 PolarHBondContact O-N 3.09Å; F180-G183 PolarHBondContact O-N 3.02Å; F180-A184 PolarHBondContact O-N 3.29Å
181Y92.9Very high85.3Confident123 Ų12362.1 Ų62.148%0.48230%0.297SS..Hα-helixtrans-64.8-37.5175.5-63.4-63.1000112.4G177 W178 G183 A184 L185G177-Y181 VanDerWaalsContact O-CD2 3.31Å; G177-Y181 WeakPolarHBondContact O-CD2 3.25Å; G177-Y181 PolarHBondContact O-N 2.9Å; W178-Y181 HydrophobicContact CE3-CD2 4.49Å; W178-Y181 PolarHBondContact O-N 2.85Å; Y181-G183 VanDerWaalsContact C-N 3.34Å; Y181-A184 PolarHBondContact O-N 3.16Å; Y181-L185 VanDerWaalsContact O-CB 3.29Å; Y181-L185 WeakPolarHBondContact O-CB 3.31Å; Y181-L185 PolarHBondContact O-N 3.25Å
182F93.2Very high87.3Confident79 Ų7961.3 Ų61.335%0.34630%0.296SS..Hα-helixtrans-65-37.1173.4-69.9-37.9000112.5L23 I26 A27 W178 S179 F180 L185 S186L23-F182 HydrophobicContact CD2-CB 4.33Å; L23-F182 HydrophobicContact CD2-CD1 3.77Å; L23-F182 HydrophobicContact CD2-CE1 4.3Å; L23-F182 HydrophobicContact CD2-CG 4.13Å; I26-F182 HydrophobicContact CG2-CD2 4.28Å; A27-F182 HydrophobicContact CB-CB 4.5Å; W178-F182 HydrophobicContact CB-CE2 4.3Å; W178-F182 WeakPolarHBondContact O-CD2 3.39Å; W178-F182 WeakPolarHBondContact O-CG 3.11Å; W178-F182 PolarHBondContact O-N 2.86Å; S179-F182 PolarHBondContact O-N 2.8Å; F180-F182 VanDerWaalsContact C-N 3.35Å; F180-F182 PolarHBondContact O-N 3.09Å; F182-L185 PolarHBondContact O-N 3.01Å; F182-S186 VanDerWaalsContact O-CB 3.27Å; F182-S186 WeakPolarHBondContact O-CB 3.38Å; F182-S186 PolarHBondContact O-N 3.42Å; F182-S186 PolarHBondContact O-OG 3.48Å
183G92Very high89.4Confident1 Ų154 Ų541%0.0126%0.257CS..Hα-helixtrans-60-46.917100000112.1N149 S179 F180 Y181 S186 F187N149-G183 PolarHBondContact ND2-O 2.05Å; S179-G183 PolarHBondContact O-N 3.45Å; F180-G183 PolarHBondContact O-N 3.02Å; Y181-G183 VanDerWaalsContact C-N 3.34Å; G183-S186 PolarHBondContact O-N 3.13Å; G183-S186 PolarHBondContact O-OG 3.13Å; G183-F187 PolarHBondContact O-N 2.98Å; G183-F187 VanDerWaalsContact O-N 3.13Å
184A92.7Very high91Very high32 Ų3252.2 Ų52.226%0.26425%0.245SC..Hα-helixtrans-67.3-40.217700000113F180 Y181 S186 F187 I188F180-A184 PolarHBondContact O-N 3.29Å; Y181-A184 PolarHBondContact O-N 3.16Å; A184-S186 VanDerWaalsContact C-N 3.34Å; A184-F187 WeakPolarHBondContact O-CB 3.2Å; A184-F187 PolarHBondContact O-N 2.84Å; A184-I188 WeakPolarHBondContact O-CG1 3.4Å; A184-I188 PolarHBondContact O-N 3.39Å; A184-I188 VanDerWaalsContact O-N 3.12Å
185L94Very high92Very high77 Ų7753.2 Ų53.240%0.40326%0.258SS..Hα-helixtrans-65-40.4176.1-177.864000111.1L23 Y181 F182 F187 I188 I189L23-L185 HydrophobicContact CD1-CD2 3.99Å; L23-L185 HydrophobicContact CD1-CG 4.15Å; Y181-L185 VanDerWaalsContact O-CB 3.29Å; Y181-L185 WeakPolarHBondContact O-CB 3.31Å; Y181-L185 PolarHBondContact O-N 3.25Å; F182-L185 PolarHBondContact O-N 3.01Å; L185-F187 VanDerWaalsContact C-N 3.26Å; L185-F187 PolarHBondContact O-N 3.38Å; L185-I188 PolarHBondContact O-N 3.02Å; L185-I189 HydrophobicContact CD1-CD1 4.34Å; L185-I189 HydrophobicContact CD1-CG1 4.48Å; L185-I189 HydrophobicContact CG-CD1 4.03Å; L185-I189 WeakPolarHBondContact O-CG1 3.34Å; L185-I189 PolarHBondContact O-N 3.44Å
186S94.3Very high92.5Very high0 Ų052 Ų520%025%0.246CC..Hα-helixtrans-61.1-37175.377.80000111.7M24 F182 G183 A184 A190M24-S186 VanDerWaalsContact CE-OG 3.29Å; M24-S186 WeakPolarHBondContact CE-OG 3.22Å; F182-S186 VanDerWaalsContact O-CB 3.27Å; F182-S186 WeakPolarHBondContact O-CB 3.38Å; F182-S186 PolarHBondContact O-N 3.42Å; F182-S186 PolarHBondContact O-OG 3.48Å; G183-S186 PolarHBondContact O-N 3.13Å; G183-S186 PolarHBondContact O-OG 3.13Å; A184-S186 VanDerWaalsContact C-N 3.34Å; S186-A190 WeakPolarHBondContact O-CB 3.43Å; S186-A190 PolarHBondContact O-N 2.93Å
187F93.5Very high92.8Very high46 Ų4647.7 Ų47.720%0.20223%0.23CC..Hα-helixtrans-61.5-47.3172.4164.9-104.9000111.9G146 I150 G183 A184 L185 I189 A190 E191G146-F187 WeakPolarHBondContact O-CD2 3.34Å; G146-F187 WeakPolarHBondContact O-CE2 3.44Å; I150-F187 HydrophobicContact CB-CD2 4.18Å; I150-F187 HydrophobicContact CB-CE2 3.97Å; I150-F187 HydrophobicContact CB-CZ 4.25Å; I150-F187 HydrophobicContact CD1-CD1 4.49Å; I150-F187 HydrophobicContact CD1-CE1 4.42Å; I150-F187 HydrophobicContact CG1-CZ 4.49Å; I150-F187 HydrophobicContact CG2-CE2 4.13Å; I150-F187 HydrophobicContact CG2-CZ 4.49Å; G183-F187 PolarHBondContact O-N 2.98Å; G183-F187 VanDerWaalsContact O-N 3.13Å; A184-F187 WeakPolarHBondContact O-CB 3.2Å; A184-F187 PolarHBondContact O-N 2.84Å; L185-F187 VanDerWaalsContact C-N 3.26Å; L185-F187 PolarHBondContact O-N 3.38Å; F187-I189 PolarHBondContact O-N 2.89Å; F187-A190 CarbonylContact O-C 3.57Å; F187-A190 WeakPolarHBondContact O-CA 3.09Å; F187-A190 WeakPolarHBondContact O-CB 3.42Å; F187-A190 PolarHBondContact O-N 3.47Å; F187-A190 VanDerWaalsContact O-N 3.1Å; F187-E191 HydrophobicContact CD2-CG 4.12Å; F187-E191 HydrophobicContact CE1-CG 4.37Å; F187-E191 HydrophobicContact CE2-CG 3.56Å; F187-E191 WeakPolarHBondContact CE2-OE1 3.3Å; F187-E191 HydrophobicContact CZ-CG 3.71Å; F187-E191 PolarHBondContact O-N 3Å
188I94.8Very high93Very high94 Ų9450.4 Ų50.448%0.48225%0.246SC..Hα-helixtrans-62.7-47.7179.8-63.9167.5000110.5A184 L185 A190 E191 M192A184-I188 WeakPolarHBondContact O-CG1 3.4Å; A184-I188 PolarHBondContact O-N 3.39Å; A184-I188 VanDerWaalsContact O-N 3.12Å; L185-I188 PolarHBondContact O-N 3.02Å; I188-A190 PolarHBondContact O-N 3.23Å; I188-E191 PolarHBondContact O-N 3.05Å; I188-M192 HydrophobicContact CG2-CG 4.46Å; I188-M192 VanDerWaalsContact O-CG 3.25Å; I188-M192 WeakPolarHBondContact O-CG 3.47Å; I188-M192 PolarHBondContact O-N 3.44Å
189I94.6Very high93Very high43 Ų4346.5 Ų46.522%0.22124%0.235CC..Hα-helixtrans-61.9-34.9176.5-62.8173.1000109.9G16 A20 L23 L185 F187 M192 V193G16-I189 WeakPolarHBondContact O-CG2 3.33Å; A20-I189 HydrophobicContact CB-CB 4.32Å; A20-I189 HydrophobicContact CB-CG2 3.98Å; L23-I189 HydrophobicContact CD1-CD1 3.8Å; L185-I189 HydrophobicContact CD1-CD1 4.34Å; L185-I189 HydrophobicContact CD1-CG1 4.48Å; L185-I189 HydrophobicContact CG-CD1 4.03Å; L185-I189 WeakPolarHBondContact O-CG1 3.34Å; L185-I189 PolarHBondContact O-N 3.44Å; F187-I189 PolarHBondContact O-N 2.89Å; I189-M192 PolarHBondContact O-N 3.08Å; I189-V193 PolarHBondContact O-N 3.48Å
190A94.5Very high92.8Very high1 Ų146.7 Ų46.71%0.00824%0.236CC..Hα-helixtrans-65.4-46.217600000112.6A20 L115 F142 S186 F187 I188 M192 G194A20-A190 HydrophobicContact CB-CB 4.45Å; L115-A190 HydrophobicContact CD2-CB 4.07Å; F142-A190 HydrophobicContact CD1-CB 4.27Å; F142-A190 WeakPolarHBondContact CD1-O 3.35Å; F142-A190 HydrophobicContact CE1-CB 3.82Å; F142-A190 WeakPolarHBondContact CE1-O 3.18Å; F142-A190 HydrophobicContact CZ-CB 3.98Å; S186-A190 WeakPolarHBondContact O-CB 3.43Å; S186-A190 PolarHBondContact O-N 2.93Å; F187-A190 CarbonylContact O-C 3.57Å; F187-A190 WeakPolarHBondContact O-CA 3.09Å; F187-A190 WeakPolarHBondContact O-CB 3.42Å; F187-A190 PolarHBondContact O-N 3.47Å; F187-A190 VanDerWaalsContact O-N 3.1Å; I188-A190 PolarHBondContact O-N 3.23Å; A190-M192 VanDerWaalsContact C-N 3.31Å; A190-M192 PolarHBondContact O-N 3.49Å; A190-G194 PolarHBondContact O-N 3.48Å
191E94.2Very high92.7Very high43 Ų4347.3 Ų47.320%0.20124%0.238CC..Hα-helixtrans-64.8-40.2176.1-66.7-60.9160.300111.3F187 I188 G194 V195F187-E191 HydrophobicContact CD2-CG 4.12Å; F187-E191 HydrophobicContact CE1-CG 4.37Å; F187-E191 HydrophobicContact CE2-CG 3.56Å; F187-E191 WeakPolarHBondContact CE2-OE1 3.3Å; F187-E191 HydrophobicContact CZ-CG 3.71Å; F187-E191 PolarHBondContact O-N 3Å; I188-E191 PolarHBondContact O-N 3.05Å; E191-G194 PolarHBondContact O-N 2.93Å; E191-V195 VanDerWaalsContact O-CG2 3.3Å; E191-V195 WeakPolarHBondContact O-CG2 3.44Å; E191-V195 PolarHBondContact O-N 3.25Å
192M93.2Very high92.6Very high114 Ų11445 Ų4556%0.56223%0.233SC*.Hα-helixtrans-63.2-46.1178.8-68-54.5-62.900112.8I188 I189 A190 G194 V195 L196I188-M192 HydrophobicContact CG2-CG 4.46Å; I188-M192 VanDerWaalsContact O-CG 3.25Å; I188-M192 WeakPolarHBondContact O-CG 3.47Å; I188-M192 PolarHBondContact O-N 3.44Å; I189-M192 PolarHBondContact O-N 3.08Å; A190-M192 VanDerWaalsContact C-N 3.31Å; A190-M192 PolarHBondContact O-N 3.49Å; M192-G194 VanDerWaalsContact C-N 3.32Å; M192-V195 PolarHBondContact O-N 2.99Å; M192-L196 WeakPolarHBondContact O-CB 3.34Å; M192-L196 VanDerWaalsContact O-CG 3.28Å; M192-L196 WeakPolarHBondContact O-CG 3.44Å; M192-L196 PolarHBondContact O-N 2.87Å
193V94.1Very high92.3Very high6 Ų643.5 Ų43.54%0.03623%0.229CC..Hα-helixtrans-71.1-29.4177.7158.60000111.6T13 A17 F142 I189 L196 A197T13-V193 HydrophobicContact CG2-CG1 3.76Å; T13-V193 WeakPolarHBondContact O-CG1 3.24Å; A17-V193 HydrophobicContact CB-CG1 4.25Å; F142-V193 HydrophobicContact CD1-CB 4.15Å; F142-V193 HydrophobicContact CD1-CG1 3.96Å; F142-V193 HydrophobicContact CE1-CB 3.26Å; F142-V193 HydrophobicContact CE1-CG1 3.29Å; F142-V193 HydrophobicContact CE2-CG1 4.3Å; F142-V193 HydrophobicContact CZ-CB 3.73Å; F142-V193 HydrophobicContact CZ-CG1 3.53Å; I189-V193 PolarHBondContact O-N 3.48Å; V193-L196 HydrophobicContact CG2-CD1 4.5Å; V193-L196 PolarHBondContact O-N 3.46Å; V193-A197 WeakPolarHBondContact O-CB 3.46Å; V193-A197 PolarHBondContact O-N 2.86Å
194G93.9Very high91.9Very high0 Ų046.2 Ų46.20%024%0.239CC..Hα-helixtrans-64.4-47.1172.200000112A190 E191 M192 L196 A197 V198A190-G194 PolarHBondContact O-N 3.48Å; E191-G194 PolarHBondContact O-N 2.93Å; M192-G194 VanDerWaalsContact C-N 3.32Å; G194-L196 PolarHBondContact O-N 3.43Å; G194-A197 PolarHBondContact O-N 2.9Å; G194-V198 WeakPolarHBondContact O-CG2 3.29Å; G194-V198 PolarHBondContact O-N 3.25Å
195V93.7Very high91.6Very high90 Ų9047.8 Ų47.855%0.54524%0.241SC..Hα-helixtrans-61.5-43.1174.2172.40000111.1E191 M192 A197 V198 H199E191-V195 VanDerWaalsContact O-CG2 3.3Å; E191-V195 WeakPolarHBondContact O-CG2 3.44Å; E191-V195 PolarHBondContact O-N 3.25Å; M192-V195 PolarHBondContact O-N 2.99Å; V195-A197 PolarHBondContact O-N 2.8Å; V195-V198 PolarHBondContact O-N 3.06Å; V195-H199 WeakPolarHBondContact O-CB 3.44Å; V195-H199 PolarHBondContact O-N 3.23Å
196L92Very high91.4Very high42 Ų4250.1 Ų50.122%0.2225%0.248CC..Hα-helixtrans-61.4-43.1175.5-73.4171.6000111.9Q9 L12 M192 V193 G194 H199 M200Q9-L196 HydrophobicContact CG-CD2 4.41Å; L12-L196 HydrophobicContact CD2-CD1 3.99Å; L12-L196 HydrophobicContact CG-CD1 4.41Å; M192-L196 WeakPolarHBondContact O-CB 3.34Å; M192-L196 VanDerWaalsContact O-CG 3.28Å; M192-L196 WeakPolarHBondContact O-CG 3.44Å; M192-L196 PolarHBondContact O-N 2.87Å; V193-L196 HydrophobicContact CG2-CD1 4.5Å; V193-L196 PolarHBondContact O-N 3.46Å; G194-L196 PolarHBondContact O-N 3.43Å; L196-H199 WeakPolarHBondContact O-CB 3.24Å; L196-H199 PolarHBondContact O-N 2.03Å; L196-M200 WeakPolarHBondContact O-CG 3.29Å; L196-M200 PolarHBondContact O-N 2.92Å
197A91Very high90.9Very high2 Ų254.2 Ų54.22%0.01727%0.267CS..Hα-helixtrans-63.2-42.6177.800000112.2T13 V193 G194 V195 M200 F201T13-A197 HydrophobicContact CG2-CB 4.41Å; V193-A197 WeakPolarHBondContact O-CB 3.46Å; V193-A197 PolarHBondContact O-N 2.86Å; G194-A197 PolarHBondContact O-N 2.9Å; V195-A197 PolarHBondContact O-N 2.8Å; A197-M200 PolarHBondContact O-N 2.82Å; A197-F201 PolarHBondContact O-N 3.08Å
198V91.2Very high90.5Very high59 Ų5955.1 Ų55.136%0.35827%0.274SS..Hα-helixtrans-66.1-39.7175.1175.70000111.1G194 V195 F201 I202G194-V198 WeakPolarHBondContact O-CG2 3.29Å; G194-V198 PolarHBondContact O-N 3.25Å; V195-V198 PolarHBondContact O-N 3.06Å; V198-F201 WeakPolarHBondContact O-CB 3.32Å; V198-F201 PolarHBondContact O-N 2.82Å; V198-I202 HydrophobicContact CG1-CD1 3.95Å; V198-I202 HydrophobicContact CG1-CG1 4.45Å; V198-I202 WeakPolarHBondContact O-CG1 3.47Å; V198-I202 PolarHBondContact O-N 2.83Å
199H91.1Very high90.1Very high97 Ų9757.2 Ų57.245%0.44928%0.275SS..Hα-helixtrans-61.1-47.1175.1-170.5-81.9000111.6V195 L196 F201 I202 D203V195-H199 WeakPolarHBondContact O-CB 3.44Å; V195-H199 PolarHBondContact O-N 3.23Å; L196-H199 WeakPolarHBondContact O-CB 3.24Å; L196-H199 PolarHBondContact O-N 2.03Å; H199-F201 VanDerWaalsContact C-N 3.27Å; H199-F201 PolarHBondContact O-N 2.99Å; H199-I202 PolarHBondContact O-N 2.76Å; H199-D203 IonicContact CE1-OD1 3.31Å; H199-D203 IonicContact CE1-OD2 3.21Å; H199-D203 PolarHBondContact CE1-OD2 3.34Å; H199-D203 IonicContact ND1-OD2 2.63Å; H199-D203 PolarHBondContact ND1-OD2 3.42Å; H199-D203 IonicContact NE2-OD2 2.68Å; H199-D203 PolarHBondContact O-N 3Å
200M87.6Confident89.8Confident9 Ų957.8 Ų57.84%0.04429%0.286CS..Hα-helixtrans-58-40.4174.4-72.5-179.772.300112.1Q9 M10 I135 L196 A197 R204Q9-M200 HydrophobicContact CB-CG 4.47Å; Q9-M200 HydrophobicContact CB-SD 4.34Å; Q9-M200 HydrophobicContact CG-CG 3.67Å; Q9-M200 HydrophobicContact CG-SD 3.79Å; Q9-M200 VanDerWaalsContact NE2-CG 3.35Å; M10-M200 HydrophobicContact CB-CE 3.68Å; M10-M200 HydrophobicContact CG-CE 3.99Å; M10-M200 HydrophobicContact SD-CE 4.44Å; I135-M200 HydrophobicContact CD1-CB 3.94Å; I135-M200 HydrophobicContact CD1-CE 4.33Å; L196-M200 WeakPolarHBondContact O-CG 3.29Å; L196-M200 PolarHBondContact O-N 2.92Å; A197-M200 PolarHBondContact O-N 2.82Å; M200-R204 VanDerWaalsContact O-CB 3.27Å; M200-R204 WeakPolarHBondContact O-CB 3.48Å; M200-R204 PolarHBondContact O-N 2.92Å
201F88.6Confident89.3Confident35 Ų3561.9 Ų61.915%0.15431%0.311CS..Hα-helixtrans-62.8-48175.8175.7-102.3000111.7H132 I135 L136 A197 V198 H199 D203 R204 H205H132-F201 WeakPolarHBondContact O-CE2 3.46Å; I135-F201 HydrophobicContact CG2-CB 3.96Å; I135-F201 HydrophobicContact CG2-CD2 3.57Å; I135-F201 HydrophobicContact CG2-CG 4.22Å; L136-F201 HydrophobicContact CB-CD1 4.32Å; L136-F201 HydrophobicContact CB-CD2 3.83Å; L136-F201 HydrophobicContact CB-CE1 4.32Å; L136-F201 HydrophobicContact CB-CE2 3.78Å; L136-F201 HydrophobicContact CB-CG 4.08Å; L136-F201 HydrophobicContact CB-CZ 4.04Å; L136-F201 HydrophobicContact CD1-CD1 3.93Å; L136-F201 HydrophobicContact CD1-CE1 3.38Å; L136-F201 HydrophobicContact CD1-CE2 4.13Å; L136-F201 HydrophobicContact CD1-CZ 3.47Å; L136-F201 VanDerWaalsContact CD1-CZ 3.47Å; L136-F201 HydrophobicContact CG-CE1 4.41Å; L136-F201 HydrophobicContact CG-CZ 4.4Å; A197-F201 PolarHBondContact O-N 3.08Å; V198-F201 WeakPolarHBondContact O-CB 3.32Å; V198-F201 PolarHBondContact O-N 2.82Å; H199-F201 VanDerWaalsContact C-N 3.27Å; H199-F201 PolarHBondContact O-N 2.99Å; F201-D203 PolarHBondContact O-N 3.18Å; F201-R204 PolarHBondContact O-N 2.82Å; F201-H205 WeakPolarHBondContact O-CB 3.34Å; F201-H205 PolarHBondContact O-N 2.84Å
202I89.6Confident88.9Confident74 Ų7462 Ų6238%0.37932%0.32SS..Hα-helixtrans-61.3-46.3179.7-69.1167.3000110.5V198 H199 R204 H205 K206V198-I202 HydrophobicContact CG1-CD1 3.95Å; V198-I202 HydrophobicContact CG1-CG1 4.45Å; V198-I202 WeakPolarHBondContact O-CG1 3.47Å; V198-I202 PolarHBondContact O-N 2.83Å; H199-I202 PolarHBondContact O-N 2.76Å; I202-R204 VanDerWaalsContact C-N 3.33Å; I202-R204 PolarHBondContact O-N 3.39Å; I202-H205 PolarHBondContact O-N 2.9Å; I202-K206 HydrophobicContact CG2-CD 4.12Å; I202-K206 HydrophobicContact CG2-CG 4.38Å; I202-K206 WeakPolarHBondContact O-CG 3.06Å; I202-K206 PolarHBondContact O-N 3.26Å
203D87.7Confident88.4Confident48 Ų4863.5 Ų63.526%0.25732%0.32SS..Hα-helixtrans-64.4-40.2179.7-73.7-20.8000111.9H199 F201 H205 K206 Q207H199-D203 IonicContact CE1-OD1 3.31Å; H199-D203 IonicContact CE1-OD2 3.21Å; H199-D203 PolarHBondContact CE1-OD2 3.34Å; H199-D203 IonicContact ND1-OD2 2.63Å; H199-D203 PolarHBondContact ND1-OD2 3.42Å; H199-D203 IonicContact NE2-OD2 2.68Å; H199-D203 PolarHBondContact O-N 3Å; F201-D203 PolarHBondContact O-N 3.18Å; D203-H205 VanDerWaalsContact C-N 3.34Å; D203-K206 PolarHBondContact O-N 3.13Å; D203-Q207 VanDerWaalsContact O-CG 3.29Å; D203-Q207 WeakPolarHBondContact O-CG 3.08Å; D203-Q207 PolarHBondContact O-N 2.95Å
204R84.2Confident87.6Confident59 Ų5965.5 Ų65.522%0.22334%0.336CS..Hα-helixtrans-63.9-41.4173.4-176.847.9155.2-162.59.2111.4R6 H132 M200 F201 I202 Q207 L208R6-R204 VanDerWaalsContact NH1-NH1 3.13Å; H132-R204 PolarHBondContact NE2-NE 3.05Å; M200-R204 VanDerWaalsContact O-CB 3.27Å; M200-R204 WeakPolarHBondContact O-CB 3.48Å; M200-R204 PolarHBondContact O-N 2.92Å; F201-R204 PolarHBondContact O-N 2.82Å; I202-R204 VanDerWaalsContact C-N 3.33Å; I202-R204 PolarHBondContact O-N 3.39Å; R204-Q207 WeakPolarHBondContact O-CB 3.46Å; R204-Q207 PolarHBondContact O-N 3.29Å; R204-L208 HydrophobicContact CG-CD1 4.47Å; R204-L208 WeakPolarHBondContact O-CG 3.45Å; R204-L208 PolarHBondContact O-N 3.47Å
205H86.4Confident86.9Confident65 Ų6568.8 Ų68.830%0.30136%0.357SS..Hα-helixtrans-66.6-37.7177.2-164.5-46.4000111.9F201 I202 D203 L208 R209F201-H205 WeakPolarHBondContact O-CB 3.34Å; F201-H205 PolarHBondContact O-N 2.84Å; I202-H205 PolarHBondContact O-N 2.9Å; D203-H205 VanDerWaalsContact C-N 3.34Å; H205-L208 PolarHBondContact O-N 3.3Å; H205-R209 PolarHBondContact CE1-NE 3.24Å; H205-R209 PolarHBondContact CE1-NH2 3.13Å; H205-R209 PolarHBondContact ND1-NE 3.4Å; H205-R209 WeakPolarHBondContact O-CG 3.39Å; H205-R209 PolarHBondContact O-N 3.34Å
206K88.5Confident85.9Confident125 Ų12569.3 Ų69.354%0.54336%0.356SS..Hα-helixtrans-62.8-43.9173-75.3174.3-178.8169.60111.1I202 D203 R209 A210I202-K206 HydrophobicContact CG2-CD 4.12Å; I202-K206 HydrophobicContact CG2-CG 4.38Å; I202-K206 WeakPolarHBondContact O-CG 3.06Å; I202-K206 PolarHBondContact O-N 3.26Å; D203-K206 PolarHBondContact O-N 3.13Å; K206-R209 PolarHBondContact O-N 3.31Å; K206-A210 WeakPolarHBondContact O-CB 2.86Å; K206-A210 PolarHBondContact O-N 3.21Å
207Q85.4Confident84.6Confident86 Ų8675.2 Ų75.240%0.40238%0.377SS..Hα-helixtrans-60.6-46.7175.4-73.7171.9-2.800111.9D203 R204 R209 A210 T211D203-Q207 VanDerWaalsContact O-CG 3.29Å; D203-Q207 WeakPolarHBondContact O-CG 3.08Å; D203-Q207 PolarHBondContact O-N 2.95Å; R204-Q207 WeakPolarHBondContact O-CB 3.46Å; R204-Q207 PolarHBondContact O-N 3.29Å; Q207-R209 VanDerWaalsContact C-N 3.35Å; Q207-R209 PolarHBondContact O-N 3.06Å; Q207-A210 PolarHBondContact O-N 2.88Å; Q207-A210 VanDerWaalsContact O-N 3.16Å; Q207-T211 PolarHBondContact O-N 2.77Å; Q207-T211 PolarHBondContact O-OG1 2.78Å; Q207-T211 VanDerWaalsContact O-OG1 3.12Å
208L84.5Confident83.5Confident66 Ų6680.9 Ų80.935%0.34641%0.406SS..Hα-helixtrans-60.9-42.5177-69.6170.4000112R204 H205 A210 T211 A212R204-L208 HydrophobicContact CG-CD1 4.47Å; R204-L208 WeakPolarHBondContact O-CG 3.45Å; R204-L208 PolarHBondContact O-N 3.47Å; H205-L208 PolarHBondContact O-N 3.3Å; L208-A210 VanDerWaalsContact C-N 3.35Å; L208-A210 PolarHBondContact O-N 2.68Å; L208-T211 PolarHBondContact O-N 3.35Å; L208-A212 WeakPolarHBondContact O-CB 3.5Å; L208-A212 PolarHBondContact O-N 2.77Å
209R86Confident82.3Confident137 Ų13783.9 Ų83.952%0.51742%0.416SS..Hα-helixtrans-64.3-37.3174.5-75.2-178.7-179.1152.811.1112.3H205 K206 Q207 R213H205-R209 PolarHBondContact CE1-NE 3.24Å; H205-R209 PolarHBondContact CE1-NH2 3.13Å; H205-R209 PolarHBondContact ND1-NE 3.4Å; H205-R209 WeakPolarHBondContact O-CG 3.39Å; H205-R209 PolarHBondContact O-N 3.34Å; K206-R209 PolarHBondContact O-N 3.31Å; Q207-R209 VanDerWaalsContact C-N 3.35Å; Q207-R209 PolarHBondContact O-N 3.06Å; R209-R213 WeakPolarHBondContact O-CG 3.42Å; R209-R213 PolarHBondContact O-N 3.18Å; R209-R213 VanDerWaalsContact O-N 3.08Å
210A87.8Confident80.8Confident55 Ų5581.8 Ų81.846%0.45542%0.416SS..Hα-helixtrans-68-42.7176.700000111.8K206 Q207 L208 R213 A214K206-A210 WeakPolarHBondContact O-CB 2.86Å; K206-A210 PolarHBondContact O-N 3.21Å; Q207-A210 PolarHBondContact O-N 2.88Å; Q207-A210 VanDerWaalsContact O-N 3.16Å; L208-A210 VanDerWaalsContact C-N 3.35Å; L208-A210 PolarHBondContact O-N 2.68Å; A210-R213 PolarHBondContact O-N 3.11Å; A210-A214 WeakPolarHBondContact O-CB 3.23Å; A210-A214 PolarHBondContact O-N 2.79Å
211T85.2Confident79.5Confident87 Ų8783.7 Ų83.753%0.53443%0.43SS..Hα-helixtrans-65.3-41.7175.1-55.40000111.7Q207 L208 R213 A214 T215Q207-T211 PolarHBondContact O-N 2.77Å; Q207-T211 PolarHBondContact O-OG1 2.78Å; Q207-T211 VanDerWaalsContact O-OG1 3.12Å; L208-T211 PolarHBondContact O-N 3.35Å; T211-R213 PolarHBondContact O-N 2.95Å; T211-A214 WeakPolarHBondContact O-CB 3.32Å; T211-A214 PolarHBondContact O-N 2.85Å; T211-T215 WeakPolarHBondContact O-CG2 3.31Å; T211-T215 PolarHBondContact O-N 3.18Å; T211-T215 PolarHBondContact O-OG1 3.34Å
212A84.6Confident78Confident46 Ų4684.8 Ų84.838%0.3845%0.446SS..Hα-helixtrans-60.5-44.9175.800000112.1L208 A214 T215 D216L208-A212 WeakPolarHBondContact O-CB 3.5Å; L208-A212 PolarHBondContact O-N 2.77Å; A212-A214 VanDerWaalsContact C-N 3.34Å; A212-A214 PolarHBondContact O-N 2.97Å; A212-T215 WeakPolarHBondContact CA-OG1 3.42Å; A212-T215 PolarHBondContact O-N 2.94Å; A212-T215 PolarHBondContact O-OG1 2.78Å; A212-D216 PolarHBondContact O-N 2.84Å
213R83Confident76.5Confident146 Ų14686.5 Ų86.555%0.55145%0.454SS*.Hα-helixtrans-61.6-42.4173.2-71.4-178.4-169121.4-3.8111.8R209 A210 T211 T215 D216 Y217R209-R213 WeakPolarHBondContact O-CG 3.42Å; R209-R213 PolarHBondContact O-N 3.18Å; R209-R213 VanDerWaalsContact O-N 3.08Å; A210-R213 PolarHBondContact O-N 3.11Å; T211-R213 PolarHBondContact O-N 2.95Å; R213-T215 VanDerWaalsContact C-N 3.34Å; R213-T215 PolarHBondContact O-N 3.46Å; R213-D216 PolarHBondContact O-N 3.42Å; R213-Y217 HydrophobicContact CB-CD2 4.48Å; R213-Y217 HydrophobicContact CB-CE2 4.18Å; R213-Y217 WeakPolarHBondContact O-CD2 3.32Å; R213-Y217 PolarHBondContact O-N 3.06Å
214A78.6Confident75.1Confident47 Ų4789.6 Ų89.639%0.38848%0.475SS..Hα-helixtrans-63.1-38.6177.300000112.4A210 T211 A212 Y217 L218A210-A214 WeakPolarHBondContact O-CB 3.23Å; A210-A214 PolarHBondContact O-N 2.79Å; T211-A214 WeakPolarHBondContact O-CB 3.32Å; T211-A214 PolarHBondContact O-N 2.85Å; A212-A214 VanDerWaalsContact C-N 3.34Å; A212-A214 PolarHBondContact O-N 2.97Å; A214-Y217 PolarHBondContact O-N 2.63Å; A214-L218 WeakPolarHBondContact O-CB 3.08Å; A214-L218 WeakPolarHBondContact O-CG 3.09Å; A214-L218 PolarHBondContact O-N 3.24Å
215T77.7Confident73.8Confident70 Ų7096.8 Ų96.843%0.42950%0.502SS..Hα-helixtrans-67.7-37.6173.950.70000111.8T211 A212 R213 L218 Q219T211-T215 WeakPolarHBondContact O-CG2 3.31Å; T211-T215 PolarHBondContact O-N 3.18Å; T211-T215 PolarHBondContact O-OG1 3.34Å; A212-T215 WeakPolarHBondContact CA-OG1 3.42Å; A212-T215 PolarHBondContact O-N 2.94Å; A212-T215 PolarHBondContact O-OG1 2.78Å; R213-T215 VanDerWaalsContact C-N 3.34Å; R213-T215 PolarHBondContact O-N 3.46Å; T215-L218 PolarHBondContact O-N 2.96Å; T215-Q219 VanDerWaalsContact O-CB 3.26Å; T215-Q219 WeakPolarHBondContact O-CB 3.15Å; T215-Q219 PolarHBondContact O-N 3.2Å
216D73.8Confident72.2Confident100 Ų10099.4 Ų99.454%0.53552%0.517SS..Hα-helixtrans-64.6-41.2174.5-65.1-22.2000111.2A212 R213 Q219 A220A212-D216 PolarHBondContact O-N 2.84Å; R213-D216 PolarHBondContact O-N 3.42Å; D216-Q219 PolarHBondContact O-N 3.05Å; D216-A220 WeakPolarHBondContact O-CB 3.4Å; D216-A220 PolarHBondContact O-N 2.84Å
217Y64.5Low70.3Confident166 Ų16697.8 Ų97.865%0.65152%0.52SS*.Hα-helixtrans-64.3-42.4173.5-72.7-64.1000111.7R213 A214 S221R213-Y217 HydrophobicContact CB-CD2 4.48Å; R213-Y217 HydrophobicContact CB-CE2 4.18Å; R213-Y217 WeakPolarHBondContact O-CD2 3.32Å; R213-Y217 PolarHBondContact O-N 3.06Å; A214-Y217 PolarHBondContact O-N 2.63Å; Y217-S221 VanDerWaalsContact O-CB 3.24Å; Y217-S221 WeakPolarHBondContact O-CB 3.03Å; Y217-S221 PolarHBondContact O-N 3.14Å; Y217-S221 PolarHBondContact O-OG 3.31Å
218L67.5Low68.9Low122 Ų12298.8 Ų98.864%0.63954%0.536SS*.Hα-helixtrans-68.2-36.8177.4-73.1174.4000112.3A214 T215 S221 A222A214-L218 WeakPolarHBondContact O-CB 3.08Å; A214-L218 WeakPolarHBondContact O-CG 3.09Å; A214-L218 PolarHBondContact O-N 3.24Å; T215-L218 PolarHBondContact O-N 2.96Å; L218-S221 CarbonylContact O-C 3.59Å; L218-S221 WeakPolarHBondContact O-CB 3.48Å; L218-S221 PolarHBondContact O-N 3.02Å; L218-A222 VanDerWaalsContact O-CB 3.31Å; L218-A222 WeakPolarHBondContact O-CB 3.18Å; L218-A222 PolarHBondContact O-N 2.7Å
219Q66.8Low67.3Low122 Ų122104.3 Ų104.357%0.5755%0.553SS**Hα-helixtrans-70.9-41175.7-172.4172-2300111.2T215 D216 S221 A222 I223T215-Q219 VanDerWaalsContact O-CB 3.26Å; T215-Q219 WeakPolarHBondContact O-CB 3.15Å; T215-Q219 PolarHBondContact O-N 3.2Å; D216-Q219 PolarHBondContact O-N 3.05Å; Q219-S221 VanDerWaalsContact C-N 3.31Å; Q219-S221 PolarHBondContact O-N 3.23Å; Q219-A222 PolarHBondContact O-N 3.16Å; Q219-I223 HydrophobicContact CG-CD1 4.24Å; Q219-I223 VanDerWaalsContact O-CG1 3.26Å; Q219-I223 WeakPolarHBondContact O-CG1 3Å; Q219-I223 PolarHBondContact O-N 2.71Å
220A58.7Low65.7Low53 Ų53107.9 Ų107.944%0.43857%0.567SS.*Hα-helixtrans-63.6-36.9170.800000111.9D216 I223 T224D216-A220 WeakPolarHBondContact O-CB 3.4Å; D216-A220 PolarHBondContact O-N 2.84Å; A220-I223 PolarHBondContact O-N 3.18Å; A220-T224 WeakPolarHBondContact O-CG2 3.42Å; A220-T224 PolarHBondContact O-N 3.06Å; A220-T224 PolarHBondContact O-OG1 3.42Å
221S59.7Low63.9Low49 Ų49115.3 Ų115.334%0.34359%0.585SS.*Hα-helixtrans-67.9-35.6173.3-56.20000112.2Y217 L218 Q219 T224 R225Y217-S221 VanDerWaalsContact O-CB 3.24Å; Y217-S221 WeakPolarHBondContact O-CB 3.03Å; Y217-S221 PolarHBondContact O-N 3.14Å; Y217-S221 PolarHBondContact O-OG 3.31Å; L218-S221 CarbonylContact O-C 3.59Å; L218-S221 WeakPolarHBondContact O-CB 3.48Å; L218-S221 PolarHBondContact O-N 3.02Å; Q219-S221 VanDerWaalsContact C-N 3.31Å; Q219-S221 PolarHBondContact O-N 3.23Å; S221-T224 VanDerWaalsContact CA-OG1 3.32Å; S221-T224 WeakPolarHBondContact CA-OG1 3.33Å; S221-T224 PolarHBondContact O-OG1 3.23Å; S221-T224 VanDerWaalsContact O-OG1 3.04Å; S221-R225 WeakPolarHBondContact O-CB 3.03Å; S221-R225 WeakPolarHBondContact O-CG 3.47Å; S221-R225 PolarHBondContact O-N 2.94Å; S221-R225 VanDerWaalsContact O-N 3.07Å
222A57.9Low62.1Low58 Ų58122 Ų12248%0.47960%0.6SS.*Hα-helixtrans-71.6-37.2176.900000111.6L218 Q219 T224 R225L218-A222 VanDerWaalsContact O-CB 3.31Å; L218-A222 WeakPolarHBondContact O-CB 3.18Å; L218-A222 PolarHBondContact O-N 2.7Å; Q219-A222 PolarHBondContact O-N 3.16Å; A222-T224 VanDerWaalsContact C-N 3.34Å; A222-R225 PolarHBondContact O-N 3.38Å
223I58.2Low60.3Low109 Ų109130.2 Ų130.256%0.55962%0.623SS**Hα-helixtrans-69-33.4175.4-66.4165.3000111.1Q219 A220Q219-I223 HydrophobicContact CG-CD1 4.24Å; Q219-I223 VanDerWaalsContact O-CG1 3.26Å; Q219-I223 WeakPolarHBondContact O-CG1 3Å; Q219-I223 PolarHBondContact O-N 2.71Å; A220-I223 PolarHBondContact O-N 3.18Å
224T58.9Low58.7Low114 Ų114131.8 Ų131.870%0.69964%0.636SS**Hα-helixtrans-81.2-14.4175.650.60000114.3A220 S221 A222A220-T224 WeakPolarHBondContact O-CG2 3.42Å; A220-T224 PolarHBondContact O-N 3.06Å; A220-T224 PolarHBondContact O-OG1 3.42Å; S221-T224 VanDerWaalsContact CA-OG1 3.32Å; S221-T224 WeakPolarHBondContact CA-OG1 3.33Å; S221-T224 PolarHBondContact O-OG1 3.23Å; S221-T224 VanDerWaalsContact O-OG1 3.04Å; A222-T224 VanDerWaalsContact C-N 3.34Å
225R56.1Low57.2Low210 Ų210141.2 Ų141.279%0.79266%0.662SS**THydrogen-bonded Turntrans-89.10.7173.4-80.9-173.9-171.81714.1114.6S221 A222 P227S221-R225 WeakPolarHBondContact O-CB 3.03Å; S221-R225 WeakPolarHBondContact O-CG 3.47Å; S221-R225 PolarHBondContact O-N 2.94Å; S221-R225 VanDerWaalsContact O-N 3.07Å; A222-R225 PolarHBondContact O-N 3.38Å; R225-P227 WeakPolarHBondContact O-CD 3.42Å; R225-P227 VanDerWaalsContact O-N 3.15Å
226I52.9Low55.7Low119 Ų119149 Ų14961%0.6168%0.684SS**SBendtrans-68.4110.4166.9-58.2171.2000106.3S228I226-S228 PolarHBondContact O-N 3.08Å; I226-S228 VanDerWaalsContact O-N 3.09Å
227P49.3Very low54.2Low92 Ų92149.5 Ų149.560%0.59770%0.695SS**  trans-64121.9178.6-0.814.6000106.6R225 Y229R225-P227 WeakPolarHBondContact O-CD 3.42Å; R225-P227 VanDerWaalsContact O-N 3.15Å; P227-Y229 HydrophobicContact CB-CD1 4.37Å; P227-Y229 WeakPolarHBondContact O-CD1 3.1Å; P227-Y229 PolarHBondContact O-N 2.73Å
228S55.5Low53.3Low106 Ų106153.3 Ų153.374%0.74171%0.708SS**  trans-6958.9170.147.90000110.5I226 R230I226-S228 PolarHBondContact O-N 3.08Å; I226-S228 VanDerWaalsContact O-N 3.09Å; S228-R230 PolarHBondContact O-N 2.71Å
229Y50.7Low52Low182 Ų182153.8 Ų153.871%0.71472%0.722SS**G310 helixtrans-71.8-5.1170.769.5-97.2000112.2P227P227-Y229 HydrophobicContact CB-CD1 4.37Å; P227-Y229 WeakPolarHBondContact O-CD1 3.1Å; P227-Y229 PolarHBondContact O-N 2.73Å
230R52.1Low50.6Low213 Ų213153.5 Ų153.580%0.80473%0.733SS**G310 helixtrans-91.22.7-173.7-139174.6-173.2161.82.2116S228S228-R230 PolarHBondContact O-N 2.71Å
231Y49.4Very low49.8Very low210 Ų210156.3 Ų156.382%0.82475%0.749SS**G310 helixtrans-113.33.1179.1-100.9-86.2000115.7
232R49Very low49Very low227 Ų227165 Ų16586%0.85778%0.775SS**SBendtrans-100.9-9.9-174.6-148.7173.7-141.5-176.16.4116.2
233Y46.2Very low48.3Very low220 Ų220167 Ų16786%0.86379%0.785SS**SBendtrans-98.9-8.9-176.4-111.1-88.8000115.5
234Q48.6Very low47.8Very low178 Ų178168.2 Ų168.283%0.83280%0.798SS**THydrogen-bonded Turntrans-95.70.2-170.5-149165.5700114.7
235R47Very low47.1Very low246 Ų246171.4 Ų171.493%0.92881%0.805SS**THydrogen-bonded Turntrans-11314.2-175-145.1-171.2-100.8-157.1-3114.7
236R47.3Very low46.4Very low234 Ų234166.8 Ų166.888%0.88380%0.802SS**SBendtrans-119.912.6-175.1-140.2176.3-160.7179.24116.1
237S42.9Very low45.9Very low110 Ų110166.3 Ų166.377%0.76981%0.809SS**  trans-126.162.1-176.1-52.10000111.3
238R44.6Very low45.6Very low245 Ų245170.6 Ų170.693%0.92582%0.821SS**  trans-163.985170.5-109.4174.3-174.4176.11.1109.8
239S39.7Very low45.2Very low133 Ų133170 Ų17093%0.9382%0.817SS**  trans161.190.1146.6-96.20000109.9
240S37.6Very low45Very low115 Ų115171.8 Ų171.880%0.80482%0.822SS**  trans-132.296.5160.859.30000106.6
241S42.6Very low44.5Very low112 Ų112169.1 Ų169.178%0.78382%0.824SS**  trans-176.6124.4160.8-85.20000111.4
242R43.2Very low44.3Very low233 Ų233164.1 Ų164.188%0.87983%0.826SS**  trans78.698.2160.6-60.2173.8178.7-176.7-2.4116
243S43.5Very low44.2Very low99 Ų99159.1 Ų159.169%0.69283%0.826SS**  63.5101.37077.10000113.7
244T46.6Very low44.2Very low135 Ų135154.2 Ų154.283%0.82882%0.821SS**  153.5117.6112.937.50000111.6
245E45Very low44.2Very low181 Ų181153.2 Ų153.285%0.84683%0.827SS**  trans46.6138.4149.6-132.867.4-168.400123.4
246P41.2Very low43.9Very low112 Ų112144.5 Ų144.573%0.72781%0.813SS**  trans-107.7153.7-174.737.8-25000114.2
247S42.2Very low43.7Very low110 Ų110141 Ų14177%0.76981%0.811SS**  trans-158.2118.2164.159.50000114.1
248H42.4Very low43.8Very low181 Ų181145.7 Ų145.784%0.83882%0.817SS**  trans54.6116.6131.4-87.9-89.6000121.2
249S48.5Very low43.6Very low94 Ų94137.3 Ų137.366%0.65781%0.807SS**  130141.7104.170.70000117.6
250R45.9Very low43.5Very low220 Ų220140.2 Ų140.283%0.8380%0.803SS**  trans86.1100.2158.5-61.8177.5175.2159-0.7116.8
251D41.4Very low43.6Very low156 Ų156140.8 Ų140.883%0.83480%0.798SS**  77.5114.971.8-72-42.8000114
252A45.2Very low43.6Very low106 Ų106141.4 Ų141.488%0.87680%0.797SS**  179.1117.8128.100000112.5
253S47.2Very low43.6Very low121 Ų121138.5 Ų138.585%0.84680%0.798SS**  trans-50.2173.9-173.4-64.70000123.6
254P44.8Very low43.6Very low118 Ų118139 Ų13977%0.76680%0.799SS**  trans-109.6168.9-17240.7-27.6000115.2
255V49.1Very low43.3Very low156 Ų156137.6 Ų137.695%0.94579%0.794SS**  trans-151.1139.2167.8-1750000106.5
256G41.1Very low43.2Very low63 Ų63134.6 Ų134.665%0.64979%0.789SS**  cis151.5100.49.600000109.3
257I43.5Very low43.1Very low161 Ų161137.2 Ų137.283%0.82679%0.791SS**  trans40.2127.7137.1-59.9166.3000122
258K44Very low43.1Very low208 Ų208138.9 Ų138.990%0.90479%0.79SS**  trans130.4133.6145.8-89.1156.2-179-175.50111.1
259G40.5Very low42.8Very low70 Ų70135.3 Ų135.372%0.72279%0.785SS**  cis161.51292.500000109.6
260F37.9Very low42.3Very low193 Ų193139.4 Ų139.485%0.84680%0.796SS**  trans73141146.2-115.2-115.3000123.8
261N39.7Very low41.9Very low128 Ų128139.8 Ų139.868%0.68480%0.799SS**  trans82.9127.2161.9-63.1-25.2000117.4
262T42.7Very low42.4Very low124 Ų124139.3 Ų139.376%0.76180%0.802SS**  cis-166.9135.415.433.90000110.4
263L44.1Very low41.9Very low173 Ų173142.6 Ų142.691%0.90680%0.804SS**  trans12.1163.4152.6-89.994.7000126.2
264P41.8Very low41.5Very low109 Ų109142.9 Ų142.971%0.70881%0.806SS**  trans-121.8176.7-142.145.3-32.7000116.1
265S41.5Very low41.3Very low106 Ų106149 Ų14974%0.74181%0.814SS**  trans-167.1112.5159.8-88.10000110.4
266T43.5Very low40.7Very low118 Ų118149.3 Ų149.372%0.72481%0.81SS**  66103.9100.956.40000113.4
267E38.7Very low40.6Very low166 Ų166150.9 Ų150.978%0.77681%0.809SS**  89.3116.890.8-85.1-165.4170.700114.9
268I41.1Very low40.4Very low146 Ų146151.1 Ų151.175%0.74981%0.811SS**  trans88.8126.9133.5-62.4163.6000120.7
269S37Very low40.1Very low105 Ų105150.9 Ų150.973%0.73481%0.81SS**  trans99.2100.7146.3-158.10000119.6
270M38Very low40Very low180 Ų180152 Ų15289%0.88781%0.812SS**  trans-91.4107.8158-79.8-168-7500109.5
271Y36.7Very low40Very low228 Ų228147.3 Ų147.389%0.89481%0.81SS**  trans-167.293.8149.2-80.3-68.8000109.2
272T52.9Low39.9Very low147 Ų147147.6 Ų147.690%0.90282%0.816SS**  trans-144117.9157.152.60000110.6
273L35.1Very low39.6Very low175 Ų175147.8 Ų147.892%0.91682%0.817SS**  trans-67.3141.7163-83.7161.9000109.5
274S37.8Very low39.4Very low127 Ų127144.4 Ų144.489%0.88881%0.806SS**  trans-153.1130147.8-101.80000111.6
275R39.6Very low38.9Very low245 Ų245145.7 Ų145.793%0.92581%0.812SS**  trans-60.2146.6170.7-93.5171.7160.1136.5-6.5111
276D37.6Very low38.7Very low163 Ų163145.5 Ų145.587%0.87282%0.817SS**  trans-116.1131.8159.1-127.1-19.4000109.9
277P38.4Very low38.3Very low96 Ų96145.5 Ų145.562%0.62382%0.817SS**  trans-106.4168.517432.6-18.7000113.3
278L40.6Very low38.2Very low167 Ų167148.5 Ų148.587%0.87482%0.822SS**  trans90.2118.1162.6-63.7129.7000118.7
279K36.4Very low38Very low203 Ų203148.3 Ų148.388%0.88382%0.823SS**  145.190.1117.7-150.6167.9-169.9179.50109.2
280A38.1Very low37.7Very low93 Ų93148.4 Ų148.477%0.76982%0.824SS**  80.5124.19300000114.7
281A38.3Very low37.7Very low95 Ų95146.5 Ų146.579%0.78582%0.817SS**  trans89.5121.8151.400000120.2
282T38.7Very low37.8Very low134 Ų134145.2 Ų145.282%0.82281%0.81SS**  trans107.8103.2141.3-19.30000118.1
283T35.6Very low37Very low127 Ų127143.7 Ų143.778%0.77980%0.797SS**  trans-48.8176156.822.40000114.5
284P39.3Very low36.9Very low103 Ų103142.3 Ų142.367%0.66979%0.79SS**  cis-138176.3-6.132.2-9.2000116
285T31.5Very low36.9Very low136 Ų136141.7 Ų141.783%0.83479%0.786SS**  trans46114.3148.543.50000121.4
286A38.5Very low36.8Very low102 Ų102140 Ų14084%0.84379%0.786SS**  trans-151.8129.6146.500000111.4
287T35.4Very low37.1Very low118 Ų118139.7 Ų139.772%0.72478%0.783SS**  trans-67.2143.9178.538.70000115.2
288Y35.6Very low37.1Very low229 Ų229143.5 Ų143.590%0.89879%0.793SS**  trans-151.895.7153.7-99.6-88.8000105.4
289N36.8Very low37.3Very low141 Ų141142.8 Ų142.875%0.75480%0.795SS**  48.792.367-82.4-9.7000115.2
290S31.8Very low37.5Very low108 Ų108140.9 Ų140.976%0.75579%0.789SS**  trans12.8115.9132.4179.80000118
291D37.9Very low37.5Very low139 Ų139143.1 Ų143.174%0.74379%0.788SS**  trans-161.2129.3139.7-103.8-42.7000110.8
292R38.4Very low37.4Very low201 Ų201144.4 Ų144.476%0.75879%0.79SS**  trans44.3126.7131.1-72.3172.281.3147.51.8117.9
293D36.1Very low37.3Very low115 Ų115145.7 Ų145.762%0.61579%0.79SS**  -171.2134.657-92.4-50.4000111.7
294N32.8Very low37.3Very low146 Ų146149 Ų14978%0.78180%0.797SS**  30.497.9129.5-57.2-42.4000119.5
295S38Very low37.2Very low115 Ų115153.2 Ų153.280%0.80480%0.804SS**  trans-148.156.2145-169.80000110.4
296F37.5Very low37.4Very low208 Ų208154.9 Ų154.991%0.91280%0.803SS**  trans-10093.1155.3-133.4-95000103.5
297L43.3Very low37.2Very low157 Ų157157.8 Ų157.882%0.82280%0.804SS**SBendtrans159.8137.9161.5-86167.4000109.2
298Q39.4Very low37.2Very low177 Ų177161.5 Ų161.583%0.82781%0.81SS**  trans73.885.8169.7-67.5179.9-21.600118.6
299V43.6Very low37.1Very low152 Ų152158.4 Ų158.492%0.92181%0.809SS**  -125.2114.8125.7178.90000107.9
300H41.8Very low37.1Very low162 Ų162157.4 Ų157.475%0.7581%0.813SS**  trans-70.3140.5-168-158.3-91.7000111.8
301N37.7Very low37.5Very low141 Ų141159.4 Ų159.475%0.75482%0.815SS**  trans-46.6125.1166.5-148.32.4000111.4
302C35.5Very low37.8Very low121 Ų121160.8 Ų160.882%0.81882%0.817SS**  trans-161.168.3165.1-960000110.2
303I36.4Very low37.8Very low162 Ų162155.9 Ų155.983%0.83181%0.813SS**  trans-121.1100.1146-67.9-178.5000106.5
304Q35.6Very low38Very low197 Ų197157.4 Ų157.492%0.92182%0.821SS**  trans-76.5117.6174.6-156.31789.600107.5
305K38.2Very low38.6Very low190 Ų190156.6 Ų156.683%0.82682%0.822SS**  trans-148.8107.6154.6-156.6165.9-177.8174.70109.4
306E34.4Very low39Very low171 Ų171154.8 Ų154.880%0.79981%0.814SS**  trans-4.6124.1165.5-66.4174113.400116.7
307N35.9Very low39.3Very low163 Ų163152 Ų15287%0.87281%0.808SS**  trans179.380.9141.6-98.8-7.1000111.2
308K33.7Very low39.3Very low197 Ų197155.5 Ų155.586%0.85781%0.81SS**  trans177.6100.2148.7-123171170.8167.80107
309D34.8Very low39.9Very low164 Ų164158.3 Ų158.388%0.87781%0.813SS**  trans175.589.9153-84.7-21.3000108.2
310S36.6Very low40.7Very low120 Ų120157.3 Ų157.384%0.83981%0.808SS**  trans-175.368.3156.924.20000108.3
311L40.3Very low41.3Very low150 Ų150156 Ų15679%0.78581%0.811SS**  trans-72.4134.9152.4-167.780000106.7
312H43.1Very low42.4Very low168 Ų168154.9 Ų154.978%0.77881%0.812SS**  trans90.5137.3173.2-67.294.3000118.9
313S38.6Very low43.4Very low98 Ų98159.5 Ų159.569%0.68584%0.836SS**  trans84.885.4162.3-172.90000114.9
314N41.8Very low43.8Very low147 Ų147159.4 Ų159.479%0.78684%0.836SS**  80.6134.889.4-79.8-32.2000113.7
315T43.9Very low44.2Very low129 Ų129157.4 Ų157.479%0.79183%0.831SS**  trans96.8100.7148-15.50000117.9
316A46Very low44.5Very low77 Ų77155.6 Ų155.664%0.63683%0.832SS**  trans63.1113.3130.300000120.1
317N44.7Very low45.1Very low148 Ų148154.6 Ų154.679%0.79183%0.834SS**  167.2137.689.7-103.3-27.2000113.3
318R44.1Very low45.7Very low231 Ų231154.1 Ų154.187%0.87283%0.831SS**  trans64.8108.9153.6-71.6-179.5173.3-173.9-2.9119.5
319R51.2Low46.5Very low237 Ų237151.3 Ų151.389%0.89483%0.83SS**  56.8121.585.4-101.9-175.1-169.4158.54112.1
320T60.6Low47.3Very low130 Ų130150.4 Ų150.480%0.79883%0.826SS**  -168.7150.951.743.90000112.6
321T54.2Low48.1Very low134 Ų134152.7 Ų152.782%0.82283%0.825SS**  trans-86.5175169.748.40000113
322P61.4Low48.8Very low118 Ų118152.9 Ų152.977%0.76683%0.828SS**  -146.8162.9111.637.8-21.4000116.7
323V55.9Low49.3Very low218 Ų218151.5 Ų151.5100%1.32183%0.833SS**  trans82.30178.9-160.50000115.9

Retrieved 323 of 323 residues in 535.8 ms (Link to these results)

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