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Interferon gamma

Produced by lymphocytes activated by specific antigens or mitogens. IFN-gamma, in addition to having antiviral activity, has important immunoregulatory functions. It is a potent activator of macrophages, it has antiproliferative effects on transformed cells and it can potentiate the antiviral and antitumor effects of the type I interferons.

AlphaFold DB , UniProt , Accession A0A093HAF5, Species STRCA (Struthio camelus australis), Gene n/a, Length 165 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
1M50.7Low50.7Low241 Ų241123.1 Ų123.1100%1.18766%0.659SS**  072.30-76.3-17116000110.8
2T49.1Very low50.7Low102 Ų102116.8 Ų116.863%0.62663%0.631SS**  trans-142.4-5.3-17946.40000113.7T5 Y6T2-T5 PolarHBondContact O-OG1 3.39Å; T2-Y6 WeakPolarHBondContact O-CD2 3.35Å; T2-Y6 WeakPolarHBondContact O-CE2 3.35Å
3C46.1Very low50.7Low115 Ų115114.8 Ų114.878%0.77762%0.619SS**Hα-helixtrans-79.5-18.3-177.6-1570000113.3
4Q48.3Very low50.6Low168 Ų168114 Ų11479%0.78561%0.612SS**Hα-helixtrans-85.5-21.6-172.9-150.2167.4-4.500113.3
5T50.4Low50.3Low84 Ų84109.4 Ų109.452%0.51559%0.59SS.*Hα-helixtrans-83.6-32.5-179.649.50000112.8T2 S7 L8 L9T2-T5 PolarHBondContact O-OG1 3.39Å; T5-S7 VanDerWaalsContact C-N 3.35Å; T5-S7 PolarHBondContact O-N 3.33Å; T5-L8 PolarHBondContact O-N 3.14Å; T5-L9 WeakPolarHBondContact O-CG 3.33Å; T5-L9 PolarHBondContact O-N 2.98Å
6Y49.5Very low50.2Low162 Ų162110.1 Ų110.164%0.63559%0.592SS**Hα-helixtrans-67.8-33.8177.5-69.2-76.5000112.6T2 L8 L9 V10T2-Y6 WeakPolarHBondContact O-CD2 3.35Å; T2-Y6 WeakPolarHBondContact O-CE2 3.35Å; Y6-L8 PolarHBondContact O-N 3.24Å; Y6-L9 PolarHBondContact O-N 3.26Å; Y6-V10 VanDerWaalsContact O-CG2 3.27Å; Y6-V10 WeakPolarHBondContact O-CG2 3.43Å; Y6-V10 PolarHBondContact O-N 3.23Å
7S51.8Low49.8Very low72 Ų72114.9 Ų114.950%0.50360%0.601SS.*Hα-helixtrans-64.6-39.6177.5-1750000112.4T5 L11T5-S7 VanDerWaalsContact C-N 3.35Å; T5-S7 PolarHBondContact O-N 3.33Å; S7-L11 PolarHBondContact O-N 2.71Å; S7-L11 VanDerWaalsContact O-N 3.11Å
8L52.5Low49.5Very low121 Ų121118.6 Ų118.663%0.63461%0.612SS**Hα-helixtrans-70.5-34.8177.7-67.6173.6000112.7T5 Y6 S12T5-L8 PolarHBondContact O-N 3.14Å; Y6-L8 PolarHBondContact O-N 3.24Å; L8-S12 PolarHBondContact O-N 3.44Å
9L54.2Low48.9Very low100 Ų100115.6 Ų115.652%0.52461%0.614SS.*Hα-helixtrans-73.5-34.2177.1-68.8172.3000112.4T5 Y6 S12 I13T5-L9 WeakPolarHBondContact O-CG 3.33Å; T5-L9 PolarHBondContact O-N 2.98Å; Y6-L9 PolarHBondContact O-N 3.26Å; L9-S12 PolarHBondContact O-N 3.31Å; L9-S12 PolarHBondContact O-OG 3.47Å; L9-I13 WeakPolarHBondContact O-CD1 3.25Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 PolarHBondContact O-N 3.32Å; L9-I13 VanDerWaalsContact O-N 3.08Å
10V54.1Low48.7Very low85 Ų85118.2 Ų118.252%0.51562%0.615SS.*Hα-helixtrans-70.4-38.4174.9174.60000110.8Y6 I13 I14Y6-V10 VanDerWaalsContact O-CG2 3.27Å; Y6-V10 WeakPolarHBondContact O-CG2 3.43Å; Y6-V10 PolarHBondContact O-N 3.23Å; V10-I13 PolarHBondContact O-N 3.33Å; V10-I14 HydrophobicContact CG1-CD1 3.97Å; V10-I14 VanDerWaalsContact O-CG1 3.29Å; V10-I14 WeakPolarHBondContact O-CG1 3.49Å; V10-I14 PolarHBondContact O-N 3.01Å
11L50.5Low48.6Very low104 Ų104117.4 Ų117.455%0.54561%0.606SS.*Hα-helixtrans-63.9-39.8173.1-82.9160.8000112.4S7 I14 T15S7-L11 PolarHBondContact O-N 2.71Å; S7-L11 VanDerWaalsContact O-N 3.11Å; L11-I14 PolarHBondContact O-N 2.97Å; L11-T15 WeakPolarHBondContact O-CG2 3.32Å; L11-T15 PolarHBondContact O-N 2.78Å; L11-T15 VanDerWaalsContact O-N 3.17Å; L11-T15 PolarHBondContact O-OG1 3.13Å
12S50.7Low48.3Very low47 Ų47108 Ų10833%0.32957%0.572SS.*Hα-helixtrans-67.4-38.1177.171.70000112.1L8 L9 T15 I16L8-S12 PolarHBondContact O-N 3.44Å; L9-S12 PolarHBondContact O-N 3.31Å; L9-S12 PolarHBondContact O-OG 3.47Å; S12-T15 WeakPolarHBondContact CA-OG1 3.5Å; S12-T15 PolarHBondContact O-N 3.24Å; S12-T15 PolarHBondContact O-OG1 2.8Å; S12-I16 WeakPolarHBondContact O-CD1 3.43Å; S12-I16 VanDerWaalsContact O-CG1 3.23Å; S12-I16 WeakPolarHBondContact O-CG1 3.25Å; S12-I16 PolarHBondContact O-N 3.29Å
13I50.7Low48.4Very low92 Ų92105.4 Ų105.447%0.47256%0.558SS.*Hα-helixtrans-69.6-36.4178.4-65.8165.2000111.8L9 V10 T15 I16 Y17L9-I13 WeakPolarHBondContact O-CD1 3.25Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 PolarHBondContact O-N 3.32Å; L9-I13 VanDerWaalsContact O-N 3.08Å; V10-I13 PolarHBondContact O-N 3.33Å; I13-T15 VanDerWaalsContact C-N 3.29Å; I13-T15 PolarHBondContact O-N 3.35Å; I13-I16 PolarHBondContact O-N 3.47Å; I13-I16 VanDerWaalsContact O-N 3.1Å; I13-Y17 HydrophobicContact CG2-CD2 4.08Å; I13-Y17 HydrophobicContact CG2-CE2 4.18Å; I13-Y17 PolarHBondContact O-N 3.41Å
14I49.6Very low48.8Very low103 Ų103103.5 Ų103.553%0.52855%0.545SS..Hα-helixtrans-65.1-35.5174-65.8165.6000110.8V10 L11 I16 Y17 F18V10-I14 HydrophobicContact CG1-CD1 3.97Å; V10-I14 VanDerWaalsContact O-CG1 3.29Å; V10-I14 WeakPolarHBondContact O-CG1 3.49Å; V10-I14 PolarHBondContact O-N 3.01Å; L11-I14 PolarHBondContact O-N 2.97Å; I14-I16 PolarHBondContact O-N 2.91Å; I14-Y17 PolarHBondContact O-N 3.44Å; I14-F18 PolarHBondContact O-N 2.73Å
15T46.1Very low49.1Very low45 Ų45101 Ų10128%0.27654%0.537SS..Hα-helixtrans-72.1-13.2173.558.20000114.8L11 S12 I13L11-T15 WeakPolarHBondContact O-CG2 3.32Å; L11-T15 PolarHBondContact O-N 2.78Å; L11-T15 VanDerWaalsContact O-N 3.17Å; L11-T15 PolarHBondContact O-OG1 3.13Å; S12-T15 WeakPolarHBondContact CA-OG1 3.5Å; S12-T15 PolarHBondContact O-N 3.24Å; S12-T15 PolarHBondContact O-OG1 2.8Å; I13-T15 VanDerWaalsContact C-N 3.29Å; I13-T15 PolarHBondContact O-N 3.35Å
16I49.2Very low49.7Very low120 Ų12099.1 Ų99.162%0.61552%0.523SS*.Hα-helixtrans-91.9-29.9177.9-66.8164.4000110.9S12 I13 I14S12-I16 WeakPolarHBondContact O-CD1 3.43Å; S12-I16 VanDerWaalsContact O-CG1 3.23Å; S12-I16 WeakPolarHBondContact O-CG1 3.25Å; S12-I16 PolarHBondContact O-N 3.29Å; I13-I16 PolarHBondContact O-N 3.47Å; I13-I16 VanDerWaalsContact O-N 3.1Å; I14-I16 PolarHBondContact O-N 2.91Å
17Y43.2Very low50.6Low193 Ų19396 Ų9676%0.75752%0.517SS*.Hα-helixtrans-80.1-32179.8-92.8-87000114I13 I14 G19I13-Y17 HydrophobicContact CG2-CD2 4.08Å; I13-Y17 HydrophobicContact CG2-CE2 4.18Å; I13-Y17 PolarHBondContact O-N 3.41Å; I14-Y17 PolarHBondContact O-N 3.44Å; Y17-G19 PolarHBondContact O-N 2.73Å
18F43.5Very low51.5Low180 Ų18095.8 Ų95.879%0.78952%0.52SS*.THydrogen-bonded Turntrans-90.589.4157.4-86.3-93.3000106.7I14 R20I14-F18 PolarHBondContact O-N 2.73Å; F18-R20 VanDerWaalsContact C-N 3.32Å; F18-R20 WeakPolarHBondContact O-CA 3.48Å; F18-R20 PolarHBondContact O-N 2.87Å
19G39.3Very low52.7Low63 Ų6395.3 Ų95.365%0.64952%0.518SS*.THydrogen-bonded Turntrans-38.5101.1175.100000109.8Y17 F21Y17-G19 PolarHBondContact O-N 2.73Å; G19-F21 PolarHBondContact O-N 2.82Å
20R44.4Very low54.3Low167 Ų16791.3 Ų91.363%0.6350%0.497SS*.  trans-66.787.5-175.3-141.6-176.3-163.2-167.43.6104.6F18 G22F18-R20 VanDerWaalsContact C-N 3.32Å; F18-R20 WeakPolarHBondContact O-CA 3.48Å; F18-R20 PolarHBondContact O-N 2.87Å; R20-G22 PolarHBondContact O-N 2.85Å; R20-G22 VanDerWaalsContact O-N 3.08Å
21F46.3Very low56Low101 Ų10190.8 Ų90.844%0.44349%0.489SS..  trans-47.2120.7157.6-146.5-74.1000103.1G19 S23 L103G19-F21 PolarHBondContact O-N 2.82Å; F21-S23 VanDerWaalsContact CB-OG 3.26Å; F21-S23 WeakPolarHBondContact CB-OG 3.44Å; F21-S23 WeakPolarHBondContact CD1-OG 3.48Å; F21-S23 PolarHBondContact O-N 2.83Å; F21-S23 PolarHBondContact O-OG 3Å; F21-L103 HydrophobicContact CE1-CD2 4.02Å
22G45.2Very low58Low45 Ų4591.4 Ų91.446%0.46449%0.493SS..THydrogen-bonded Turntrans-58.18.1-179.300000113.9R20 I26R20-G22 PolarHBondContact O-N 2.85Å; R20-G22 VanDerWaalsContact O-N 3.08Å; G22-I26 VanDerWaalsContact O-CD1 3.29Å; G22-I26 WeakPolarHBondContact O-CD1 3.37Å; G22-I26 VanDerWaalsContact O-CG1 3.23Å; G22-I26 WeakPolarHBondContact O-CG1 3.29Å; G22-I26 PolarHBondContact O-N 2.88Å
23S51.8Low60Low46 Ų4690.2 Ų90.232%0.32248%0.483SS..Hα-helixtrans-72.2-22-172.640.10000115.6F21 L27F21-S23 VanDerWaalsContact CB-OG 3.26Å; F21-S23 WeakPolarHBondContact CB-OG 3.44Å; F21-S23 WeakPolarHBondContact CD1-OG 3.48Å; F21-S23 PolarHBondContact O-N 2.83Å; F21-S23 PolarHBondContact O-OG 3Å; S23-L27 WeakPolarHBondContact O-CB 3.48Å; S23-L27 PolarHBondContact O-N 2.88Å
24S53.5Low62Low75 Ų7587.9 Ų87.952%0.52447%0.47SS..Hα-helixtrans-70.2-36.7178.573.80000112.2A28S24-A28 WeakPolarHBondContact O-CB 3.27Å; S24-A28 PolarHBondContact O-N 3.34Å
25L54.2Low64.2Low116 Ų11686.1 Ų86.161%0.60746%0.462SS*.Hα-helixtrans-76.2-42.2175.5-78.8158.4000111A28 N29L25-A28 PolarHBondContact O-N 3.06Å; L25-N29 WeakPolarHBondContact O-CB 3.35Å; L25-N29 PolarHBondContact O-N 3.02Å; L25-N29 VanDerWaalsContact O-N 3.09Å; L25-N29 PolarHBondContact O-ND2 2.86Å
26I62.8Low66.5Low45 Ų4589.2 Ų89.223%0.23147%0.472CS..Hα-helixtrans-62-45.6176.2-64.3164.4000110.8G22 A28 N29 L30 E99G22-I26 VanDerWaalsContact O-CD1 3.29Å; G22-I26 WeakPolarHBondContact O-CD1 3.37Å; G22-I26 VanDerWaalsContact O-CG1 3.23Å; G22-I26 WeakPolarHBondContact O-CG1 3.29Å; G22-I26 PolarHBondContact O-N 2.88Å; I26-A28 PolarHBondContact O-N 3.35Å; I26-N29 PolarHBondContact O-N 2.77Å; I26-L30 VanDerWaalsContact O-CB 3.3Å; I26-L30 WeakPolarHBondContact O-CB 3.38Å; I26-L30 PolarHBondContact O-N 3.02Å; I26-E99 HydrophobicContact CG2-CG 4.36Å; I26-E99 VanDerWaalsContact CG2-OE2 3.28Å; I26-E99 WeakPolarHBondContact CG2-OE2 3.35Å
27L68.3Low68.6Low97 Ų9784.5 Ų84.551%0.50845%0.448SS..Hα-helixtrans-66.5-40.3-178.5-174.564000112.2S23 N29 L30 Q31 I34S23-L27 WeakPolarHBondContact O-CB 3.48Å; S23-L27 PolarHBondContact O-N 2.88Å; L27-N29 VanDerWaalsContact C-N 3.29Å; L27-N29 PolarHBondContact O-N 3.05Å; L27-L30 PolarHBondContact O-N 2.93Å; L27-Q31 PolarHBondContact O-N 3.22Å; L27-I34 HydrophobicContact CD1-CD1 4.15Å
28A72Confident71.1Confident67 Ų6779.6 Ų79.655%0.55443%0.43SS*.Hα-helixtrans-62.8-38.8175.600000111.7S24 L25 I26 L30S24-A28 WeakPolarHBondContact O-CB 3.27Å; S24-A28 PolarHBondContact O-N 3.34Å; L25-A28 PolarHBondContact O-N 3.06Å; I26-A28 PolarHBondContact O-N 3.35Å; A28-L30 VanDerWaalsContact C-N 3.33Å
29N77.1Confident73.5Confident111 Ų11174.1 Ų74.159%0.59442%0.419SS*.Hα-helixtrans-72.4-27.6176.9-68.5-13.4000112.7L25 I26 L27L25-N29 WeakPolarHBondContact O-CB 3.35Å; L25-N29 PolarHBondContact O-N 3.02Å; L25-N29 VanDerWaalsContact O-N 3.09Å; L25-N29 PolarHBondContact O-ND2 2.86Å; I26-N29 PolarHBondContact O-N 2.77Å; L27-N29 VanDerWaalsContact C-N 3.29Å; L27-N29 PolarHBondContact O-N 3.05Å
30L87.2Confident76Confident15 Ų1574.9 Ų74.98%0.07941%0.405CS..Hα-helixtrans-91.2-12.6-177.4-154.464.5000113.9I26 L27 A28 N32 D33 I34 I96 E99I26-L30 VanDerWaalsContact O-CB 3.3Å; I26-L30 WeakPolarHBondContact O-CB 3.38Å; I26-L30 PolarHBondContact O-N 3.02Å; L27-L30 PolarHBondContact O-N 2.93Å; A28-L30 VanDerWaalsContact C-N 3.33Å; L30-N32 VanDerWaalsContact C-N 3.34Å; L30-N32 PolarHBondContact O-N 3.33Å; L30-D33 HydrophobicContact CD1-CB 4.3Å; L30-D33 PolarHBondContact O-N 3.18Å; L30-I34 HydrophobicContact CB-CD1 4.14Å; L30-I34 HydrophobicContact CD2-CD1 4Å; L30-I34 HydrophobicContact CD2-CG1 4.24Å; L30-I34 HydrophobicContact CG-CD1 4Å; L30-I34 HydrophobicContact CG-CG1 4.03Å; L30-I34 WeakPolarHBondContact O-CG1 3.33Å; L30-I34 PolarHBondContact O-N 3.43Å; L30-I96 HydrophobicContact CD1-CB 4.33Å; L30-I96 HydrophobicContact CD1-CG1 3.58Å; L30-I96 HydrophobicContact CD2-CG1 4.11Å; L30-I96 HydrophobicContact CD2-CG2 4.49Å; L30-I96 HydrophobicContact CG-CG1 3.87Å; L30-E99 HydrophobicContact CD1-CG 4.34Å
31Q90Very high78.3Confident74 Ų7471.8 Ų71.835%0.34640%0.396SS..Hα-helixtrans-54-48.4-173.4-175.659.948.900112.5L27 D33 I34 D35L27-Q31 PolarHBondContact O-N 3.22Å; Q31-D33 VanDerWaalsContact C-N 3.29Å; Q31-D33 PolarHBondContact O-N 2.88Å; Q31-I34 PolarHBondContact O-N 3.05Å; Q31-D35 VanDerWaalsContact NE2-CG 3.29Å; Q31-D35 PolarHBondContact NE2-OD1 3.48Å; Q31-D35 VanDerWaalsContact NE2-OD1 3.08Å; Q31-D35 PolarHBondContact NE2-OD2 3.11Å; Q31-D35 VanDerWaalsContact O-CG 3.28Å; Q31-D35 PolarHBondContact O-N 2.91Å
32N92.4Very high80.6Confident118 Ų11872.6 Ų72.663%0.63141%0.405SS*.Hα-helixtrans-62.2-37.2179.6-70.2-28.2000112.6L30 D35 K36L30-N32 VanDerWaalsContact C-N 3.34Å; L30-N32 PolarHBondContact O-N 3.33Å; N32-D35 PolarHBondContact O-N 3.22Å; N32-K36 WeakPolarHBondContact O-CG 3.24Å; N32-K36 PolarHBondContact O-N 3.07Å; N32-K36 VanDerWaalsContact O-N 3.12Å
33D93.1Very high82.8Confident22 Ų2272.4 Ų72.412%0.11840%0.397CS..Hα-helixtrans-75.5-36.9-179.8-71-25.2000111.4L30 Q31 D35 K36 L37 H92 H95 I96L30-D33 HydrophobicContact CD1-CB 4.3Å; L30-D33 PolarHBondContact O-N 3.18Å; Q31-D33 VanDerWaalsContact C-N 3.29Å; Q31-D33 PolarHBondContact O-N 2.88Å; D33-D35 VanDerWaalsContact C-N 3.32Å; D33-K36 PolarHBondContact O-N 3.36Å; D33-K36 IonicContact OD1-NZ 3.77Å; D33-L37 WeakPolarHBondContact O-CB 3.45Å; D33-L37 PolarHBondContact O-N 3.01Å; D33-H92 HydrophobicContact CB-CB 3.63Å; D33-H92 VanDerWaalsContact OD1-CB 3.3Å; D33-H92 WeakPolarHBondContact OD1-CB 3.41Å; D33-H95 IonicContact OD2-CE1 3.69Å; D33-H95 IonicContact OD2-CG 3.61Å; D33-H95 IonicContact OD2-ND1 2.69Å; D33-H95 PolarHBondContact OD2-ND1 3.22Å; D33-I96 HydrophobicContact CB-CD1 4.01Å; D33-I96 HydrophobicContact CB-CG1 4.03Å
34I93.8Very high84.7Confident42 Ų4275.9 Ų75.922%0.21542%0.421CS..Hα-helixtrans-61.1-43.4171.1-71.5164.7000110.2L27 L30 Q31 K36 L37 K38 I96L27-I34 HydrophobicContact CD1-CD1 4.15Å; L30-I34 HydrophobicContact CB-CD1 4.14Å; L30-I34 HydrophobicContact CD2-CD1 4Å; L30-I34 HydrophobicContact CD2-CG1 4.24Å; L30-I34 HydrophobicContact CG-CD1 4Å; L30-I34 HydrophobicContact CG-CG1 4.03Å; L30-I34 WeakPolarHBondContact O-CG1 3.33Å; L30-I34 PolarHBondContact O-N 3.43Å; Q31-I34 PolarHBondContact O-N 3.05Å; I34-K36 PolarHBondContact O-N 3.37Å; I34-L37 WeakPolarHBondContact O-CB 3.45Å; I34-L37 PolarHBondContact O-N 3.01Å; I34-K38 HydrophobicContact CG2-CD 4.16Å; I34-K38 HydrophobicContact CG2-CG 4.26Å; I34-K38 WeakPolarHBondContact O-CB 3.23Å; I34-K38 VanDerWaalsContact O-CG 3.3Å; I34-K38 WeakPolarHBondContact O-CG 3.41Å; I34-K38 PolarHBondContact O-N 3.08Å; I34-I96 HydrophobicContact CG1-CD1 4.4Å
35D94.4Very high86.6Confident66 Ų6677.7 Ų77.735%0.35342%0.421SS..Hα-helixtrans-68.8-34.6-178.4-67.5-28.6000112Q31 N32 D33 K38 A39Q31-D35 VanDerWaalsContact NE2-CG 3.29Å; Q31-D35 PolarHBondContact NE2-OD1 3.48Å; Q31-D35 VanDerWaalsContact NE2-OD1 3.08Å; Q31-D35 PolarHBondContact NE2-OD2 3.11Å; Q31-D35 VanDerWaalsContact O-CG 3.28Å; Q31-D35 PolarHBondContact O-N 2.91Å; N32-D35 PolarHBondContact O-N 3.22Å; D33-D35 VanDerWaalsContact C-N 3.32Å; D35-K38 PolarHBondContact O-N 2.87Å; D35-K38 IonicContact OD1-NZ 3.03Å; D35-K38 PolarHBondContact OD1-NZ 3.41Å; D35-A39 PolarHBondContact O-N 3.13Å; D35-A39 VanDerWaalsContact O-N 3.09Å
36K94.8Very high88.3Confident111 Ų11177 Ų7748%0.48343%0.426SS..Hα-helixtrans-62.4-46.9167.8-71.6170.9-173.9168.10111.8N32 D33 I34 K38 A39 E40 H92N32-K36 WeakPolarHBondContact O-CG 3.24Å; N32-K36 PolarHBondContact O-N 3.07Å; N32-K36 VanDerWaalsContact O-N 3.12Å; D33-K36 PolarHBondContact O-N 3.36Å; D33-K36 IonicContact OD1-NZ 3.77Å; I34-K36 PolarHBondContact O-N 3.37Å; K36-K38 VanDerWaalsContact C-N 3.33Å; K36-K38 PolarHBondContact O-N 3.43Å; K36-A39 WeakPolarHBondContact O-CB 3.3Å; K36-A39 PolarHBondContact O-N 2.81Å; K36-E40 WeakPolarHBondContact O-CG 3.29Å; K36-E40 PolarHBondContact O-N 3.18Å; K36-H92 HydrophobicContact CB-CB 4.4Å; K36-H92 HydrophobicContact CD-CB 4.06Å
37L94.1Very high89.8Confident21 Ų2179 Ų7911%0.1144%0.437CS..Hα-helixtrans-61-43.3178.4-170.469000111.2D33 I34 A39 E40 F41 L83 V93 I96D33-L37 WeakPolarHBondContact O-CB 3.45Å; D33-L37 PolarHBondContact O-N 3.01Å; I34-L37 WeakPolarHBondContact O-CB 3.45Å; I34-L37 PolarHBondContact O-N 3.01Å; L37-A39 VanDerWaalsContact C-N 3.29Å; L37-A39 PolarHBondContact O-N 3.44Å; L37-E40 PolarHBondContact O-N 3.28Å; L37-F41 HydrophobicContact CD1-CD2 3.84Å; L37-F41 HydrophobicContact CD1-CE2 3.55Å; L37-F41 HydrophobicContact CG-CD2 4.01Å; L37-F41 HydrophobicContact CG-CE2 4.11Å; L37-F41 WeakPolarHBondContact O-CD2 3.49Å; L37-F41 PolarHBondContact O-N 2.97Å; L37-L83 HydrophobicContact CD1-CD2 4.18Å; L37-L83 HydrophobicContact CD2-CD2 3.98Å; L37-V93 HydrophobicContact CD1-CG2 4.06Å; L37-I96 HydrophobicContact CB-CD1 4.07Å; L37-I96 HydrophobicContact CD2-CD1 3.8Å; L37-I96 HydrophobicContact CG-CD1 4.48Å
38K94.4Very high90.8Very high89 Ų8978.2 Ų78.239%0.38744%0.436SS..Hα-helixtrans-57.9-40.7175.2-80.4178.2-173.6160.80112.7I34 D35 K36 N42 S43I34-K38 HydrophobicContact CG2-CD 4.16Å; I34-K38 HydrophobicContact CG2-CG 4.26Å; I34-K38 WeakPolarHBondContact O-CB 3.23Å; I34-K38 VanDerWaalsContact O-CG 3.3Å; I34-K38 WeakPolarHBondContact O-CG 3.41Å; I34-K38 PolarHBondContact O-N 3.08Å; D35-K38 PolarHBondContact O-N 2.87Å; D35-K38 IonicContact OD1-NZ 3.03Å; D35-K38 PolarHBondContact OD1-NZ 3.41Å; K36-K38 VanDerWaalsContact C-N 3.33Å; K36-K38 PolarHBondContact O-N 3.43Å; K38-N42 PolarHBondContact O-N 3.41Å; K38-S43 VanDerWaalsContact CA-OG 3.23Å; K38-S43 WeakPolarHBondContact CA-OG 3.21Å; K38-S43 WeakPolarHBondContact CB-OG 3.46Å; K38-S43 WeakPolarHBondContact CG-OG 3.43Å; K38-S43 PolarHBondContact O-N 3.48Å; K38-S43 PolarHBondContact O-OG 3.47Å
39A94.2Very high91.6Very high66 Ų6678.7 Ų78.755%0.54544%0.44SS..Hα-helixtrans-67-43.1177.100000111.2D35 K36 L37 F41 N42D35-A39 PolarHBondContact O-N 3.13Å; D35-A39 VanDerWaalsContact O-N 3.09Å; K36-A39 WeakPolarHBondContact O-CB 3.3Å; K36-A39 PolarHBondContact O-N 2.81Å; L37-A39 VanDerWaalsContact C-N 3.29Å; L37-A39 PolarHBondContact O-N 3.44Å; A39-F41 VanDerWaalsContact C-N 3.33Å; A39-F41 PolarHBondContact O-N 3.35Å; A39-N42 PolarHBondContact O-N 3.27Å; A39-N42 VanDerWaalsContact O-N 3.1Å; A39-N42 PolarHBondContact O-OD1 3.14Å
40E92.7Very high92.3Very high78 Ų7879.3 Ų79.336%0.36444%0.444SS..Hα-helixtrans-63.9-36.8178-69.7-172.9160.300113.3K36 L37 N42 K90 H92K36-E40 WeakPolarHBondContact O-CG 3.29Å; K36-E40 PolarHBondContact O-N 3.18Å; L37-E40 PolarHBondContact O-N 3.28Å; E40-N42 VanDerWaalsContact C-N 3.26Å; E40-N42 PolarHBondContact O-N 3.27Å; E40-K90 WeakPolarHBondContact OE1-CD 3.44Å; E40-K90 WeakPolarHBondContact OE1-CE 3.38Å; E40-K90 IonicContact OE1-NZ 3.28Å; E40-K90 PolarHBondContact OE1-NZ 2.77Å; E40-K90 IonicContact OE2-NZ 3Å; E40-K90 PolarHBondContact OE2-NZ 3.25Å; E40-H92 IonicContact OE1-CE1 3.74Å; E40-H92 PolarHBondContact OE1-CE1 3.21Å; E40-H92 IonicContact OE1-NE2 3.21Å; E40-H92 PolarHBondContact OE1-NE2 3.05Å; E40-H92 IonicContact OE2-CE1 2.72Å; E40-H92 IonicContact OE2-NE2 3.71Å; E40-H92 PolarHBondContact OE2-NE2 3.36Å
41F92.3Very high92.3Very high102 Ų10282.9 Ų82.945%0.44748%0.484SS..THydrogen-bonded Turntrans-83.12.2176.3-82.2-96.6000113.4L37 A39 S43 T86L37-F41 HydrophobicContact CD1-CD2 3.84Å; L37-F41 HydrophobicContact CD1-CE2 3.55Å; L37-F41 HydrophobicContact CG-CD2 4.01Å; L37-F41 HydrophobicContact CG-CE2 4.11Å; L37-F41 WeakPolarHBondContact O-CD2 3.49Å; L37-F41 PolarHBondContact O-N 2.97Å; A39-F41 VanDerWaalsContact C-N 3.33Å; A39-F41 PolarHBondContact O-N 3.35Å; F41-S43 PolarHBondContact O-N 3.34Å; F41-S43 VanDerWaalsContact O-N 3.14Å; F41-T86 HydrophobicContact CE2-CG2 4.4Å
42N93.5Very high92.3Very high118 Ų11881 Ų8163%0.63148%0.484SS*.THydrogen-bonded Turntrans49.436.8-173.7-67-39.7000113K38 A39 E40 S44 H45K38-N42 PolarHBondContact O-N 3.41Å; A39-N42 PolarHBondContact O-N 3.27Å; A39-N42 VanDerWaalsContact O-N 3.1Å; A39-N42 PolarHBondContact O-OD1 3.14Å; E40-N42 VanDerWaalsContact C-N 3.26Å; E40-N42 PolarHBondContact O-N 3.27Å; N42-S44 PolarHBondContact O-N 3.39Å; N42-H45 VanDerWaalsContact O-CB 3.25Å; N42-H45 WeakPolarHBondContact O-CB 3.12Å; N42-H45 PolarHBondContact O-N 3.32Å
43S91.9Very high92.2Very high42 Ų4278.5 Ų78.529%0.29447%0.474SS..THydrogen-bonded Turntrans-67.6-5-171.8640000115.4K38 F41 V48K38-S43 VanDerWaalsContact CA-OG 3.23Å; K38-S43 WeakPolarHBondContact CA-OG 3.21Å; K38-S43 WeakPolarHBondContact CB-OG 3.46Å; K38-S43 WeakPolarHBondContact CG-OG 3.43Å; K38-S43 PolarHBondContact O-N 3.48Å; K38-S43 PolarHBondContact O-OG 3.47Å; F41-S43 PolarHBondContact O-N 3.34Å; F41-S43 VanDerWaalsContact O-N 3.14Å; S43-V48 WeakPolarHBondContact O-CG1 3.36Å
44S91.8Very high92.2Very high118 Ų11883.1 Ų83.183%0.82550%0.498SS*.THydrogen-bonded Turntrans-93.52.2172.8-55.40000113N42N42-S44 PolarHBondContact O-N 3.39Å
45H94.2Very high92.1Very high114 Ų11483.1 Ų83.153%0.52850%0.496SS..SBendtrans-66.2149.8176.1-166.7-95.3000110.5N42 D47 V48N42-H45 VanDerWaalsContact O-CB 3.25Å; N42-H45 WeakPolarHBondContact O-CB 3.12Å; N42-H45 PolarHBondContact O-N 3.32Å; H45-D47 VanDerWaalsContact C-N 3.26Å; H45-D47 WeakPolarHBondContact CB-OD1 3.19Å; H45-D47 IonicContact CE1-OD1 3.4Å; H45-D47 IonicContact CG-OD1 3.69Å; H45-D47 IonicContact ND1-OD1 3.05Å; H45-D47 PolarHBondContact ND1-OD1 2.85Å; H45-D47 IonicContact ND1-OD2 2.66Å; H45-D47 PolarHBondContact O-N 3.37Å; H45-V48 HydrophobicContact CB-CG2 4.35Å; H45-V48 WeakPolarHBondContact O-CB 3.15Å; H45-V48 WeakPolarHBondContact O-CG2 3.25Å; H45-V48 PolarHBondContact O-N 3.35Å
46S90.3Very high91.9Very high100 Ų10084.3 Ų84.370%0.69951%0.507SS*.G310 helixtrans-66.7-27.2-168.354.20000113.8V48S46-V48 VanDerWaalsContact C-N 3.26Å; S46-V48 PolarHBondContact O-N 3.28Å
47D92.6Very high91.7Very high87 Ų8784.2 Ų84.247%0.46551%0.508SS..G310 helixtrans-70.7-18.917867.3-23.9000113.3H45 A49 D50H45-D47 VanDerWaalsContact C-N 3.26Å; H45-D47 WeakPolarHBondContact CB-OD1 3.19Å; H45-D47 IonicContact CE1-OD1 3.4Å; H45-D47 IonicContact CG-OD1 3.69Å; H45-D47 IonicContact ND1-OD1 3.05Å; H45-D47 PolarHBondContact ND1-OD1 2.85Å; H45-D47 IonicContact ND1-OD2 2.66Å; H45-D47 PolarHBondContact O-N 3.37Å; D47-A49 PolarHBondContact O-N 3.01Å; D47-D50 VanDerWaalsContact O-CB 3.27Å; D47-D50 WeakPolarHBondContact O-CB 3.37Å; D47-D50 PolarHBondContact O-N 3.11Å
48V91.3Very high91.4Very high81 Ų8189.9 Ų89.949%0.49153%0.531SS..G310 helixtrans-65.3-23.5-179179.10000112S43 H45 S46S43-V48 WeakPolarHBondContact O-CG1 3.36Å; H45-V48 HydrophobicContact CB-CG2 4.35Å; H45-V48 WeakPolarHBondContact O-CB 3.15Å; H45-V48 WeakPolarHBondContact O-CG2 3.25Å; H45-V48 PolarHBondContact O-N 3.35Å; S46-V48 VanDerWaalsContact C-N 3.26Å; S46-V48 PolarHBondContact O-N 3.28Å
49A88.1Confident91.1Very high78 Ų7887.3 Ų87.365%0.64552%0.522SS*.G310 helixtrans-82.5-13.9175.400000113.3D47 G52D47-A49 PolarHBondContact O-N 3.01Å; A49-G52 PolarHBondContact O-N 3.45Å
50D91.9Very high90.8Very high124 Ų12491.4 Ų91.466%0.66353%0.527SS*.THydrogen-bonded Turntrans-67.1134.7-177.8-66.3-20.6000110.5D47 G52D47-D50 VanDerWaalsContact O-CB 3.27Å; D47-D50 WeakPolarHBondContact O-CB 3.37Å; D47-D50 PolarHBondContact O-N 3.11Å; D50-G52 PolarHBondContact O-N 2.98Å
51G87.7Confident90.4Very high90 Ų9094.4 Ų94.493%0.92855%0.546SS*.THydrogen-bonded Turntrans77.30.9-178.800000115.4
52G89.1Confident90.1Very high34 Ų3493.3 Ų93.335%0.35154%0.539SS..  trans77.9-179.2174.800000114.4A49 D50A49-G52 PolarHBondContact O-N 3.45Å; D50-G52 PolarHBondContact O-N 2.98Å
53P90.9Very high89.7Confident65 Ų6593.8 Ų93.842%0.42255%0.546SS..  trans-75.1133.3-173.130.2-35.2000113T56 E57P53-T56 WeakPolarHBondContact CB-OG1 3.17Å; P53-E57 HydrophobicContact CG-CB 3.71Å
54I91.6Very high89.4Confident120 Ų12096 Ų9662%0.61555%0.552SS**SBendtrans-64.6-48.1-176.9-57.4175.6000112.5K58I54-K58 WeakPolarHBondContact O-CD 3.4Å; I54-K58 WeakPolarHBondContact O-CE 3.4Å
55F93Very high89Confident41 Ų4199.2 Ų99.218%0.1855%0.546CS..SBendtrans-110.8-41.7-171.3-57.4-59000114.1E57 K58 L59 I75 M78 Y79F55-E57 PolarHBondContact O-N 3.44Å; F55-K58 PolarHBondContact O-N 3.35Å; F55-L59 WeakPolarHBondContact O-CG 3.33Å; F55-L59 PolarHBondContact O-N 3.49Å; F55-I75 HydrophobicContact CB-CD1 4.19Å; F55-I75 HydrophobicContact CD1-CD1 4.11Å; F55-I75 HydrophobicContact CD1-CG1 3.81Å; F55-I75 HydrophobicContact CD1-CG2 4.21Å; F55-I75 HydrophobicContact CD2-CG2 4.29Å; F55-I75 HydrophobicContact CE1-CG1 4.21Å; F55-I75 HydrophobicContact CE1-CG2 4.42Å; F55-I75 HydrophobicContact CE2-CG2 4.5Å; F55-I75 HydrophobicContact CG-CD1 4.37Å; F55-I75 HydrophobicContact CG-CG1 4.38Å; F55-I75 HydrophobicContact CG-CG2 4.15Å; F55-M78 HydrophobicContact CE1-CE 3.95Å; F55-M78 HydrophobicContact CE1-SD 3.98Å; F55-M78 HydrophobicContact CZ-CE 4.1Å; F55-M78 HydrophobicContact CZ-SD 4.43Å; F55-Y79 HydrophobicContact CD2-CE2 4.24Å; F55-Y79 AromaticContact CD2-CZ 3.96Å; F55-Y79 WeakPolarHBondContact CD2-OH 3.48Å; F55-Y79 HydrophobicContact CE2-CE1 4.26Å; F55-Y79 HydrophobicContact CE2-CE2 4.11Å; F55-Y79 AromaticContact CE2-CZ 3.75Å
56T90.5Very high88.4Confident92 Ų9298 Ų9856%0.56454%0.543SS*.Hα-helixtrans-67.6-34.7-166.357.50000112.9P53 L59 K60P53-T56 WeakPolarHBondContact CB-OG1 3.17Å; T56-L59 PolarHBondContact O-N 3.43Å; T56-K60 PolarHBondContact O-N 3.48Å
57E90.1Very high88.1Confident109 Ų10997 Ų9751%0.50953%0.527SS..Hα-helixtrans-67.4-45.6174175.7167.3-13900111.7P53 F55 L59 K60P53-E57 HydrophobicContact CG-CB 3.71Å; F55-E57 PolarHBondContact O-N 3.44Å; E57-L59 PolarHBondContact O-N 3.17Å; E57-K60 WeakPolarHBondContact O-CB 3.24Å; E57-K60 PolarHBondContact O-N 3.25Å
58K87.8Confident87.9Confident139 Ų13997.3 Ų97.360%0.60453%0.525SS*.Hα-helixtrans-58.2-38.2176.9-60.2-177.5-168.8-66.10111.2I54 F55 K60 W62I54-K58 WeakPolarHBondContact O-CD 3.4Å; I54-K58 WeakPolarHBondContact O-CE 3.4Å; F55-K58 PolarHBondContact O-N 3.35Å; K58-K60 VanDerWaalsContact C-N 3.28Å; K58-K60 PolarHBondContact O-N 3.07Å; K58-W62 PolarHBondContact O-NE1 3.03Å
59L88.4Confident87.7Confident35 Ų3597.8 Ų97.818%0.18352%0.518CS..Hα-helixtrans-67.3-18.7178.7-74.2174.3000114.7F55 T56 E57 N61 W62 I71 L72 I75F55-L59 WeakPolarHBondContact O-CG 3.33Å; F55-L59 PolarHBondContact O-N 3.49Å; T56-L59 PolarHBondContact O-N 3.43Å; E57-L59 PolarHBondContact O-N 3.17Å; L59-N61 VanDerWaalsContact C-N 3.26Å; L59-N61 PolarHBondContact O-N 3.21Å; L59-W62 PolarHBondContact O-N 3.11Å; L59-I71 HydrophobicContact CD2-CG1 4.23Å; L59-I71 HydrophobicContact CD2-CG2 3.54Å; L59-L72 HydrophobicContact CD1-CD2 4.11Å; L59-L72 HydrophobicContact CD2-CD2 4.16Å; L59-L72 HydrophobicContact CD2-CG 4.45Å; L59-I75 HydrophobicContact CD1-CD1 3.95Å; L59-I75 HydrophobicContact CD2-CD1 3.84Å; L59-I75 HydrophobicContact CG-CD1 3.97Å
60K88.1Confident87.6Confident152 Ų15295.1 Ų95.166%0.66149%0.492SS*.Hα-helixtrans-63.4-33.2179.4-69.2177.7-179.1173.60112.5T56 E57 K58 W62T56-K60 PolarHBondContact O-N 3.48Å; E57-K60 WeakPolarHBondContact O-CB 3.24Å; E57-K60 PolarHBondContact O-N 3.25Å; K58-K60 VanDerWaalsContact C-N 3.28Å; K58-K60 PolarHBondContact O-N 3.07Å; K60-W62 VanDerWaalsContact C-N 3.3Å; K60-W62 PolarHBondContact O-N 3.1Å
61N83.7Confident87.5Confident141 Ų14190.8 Ų90.875%0.75447%0.469SS*.THydrogen-bonded Turntrans-82-8.7-176.3-62.9-18.1000113.2L59 T63L59-N61 VanDerWaalsContact C-N 3.26Å; L59-N61 PolarHBondContact O-N 3.21Å; N61-T63 PolarHBondContact O-N 3.38Å
62W86.8Confident87.6Confident80 Ų8088.5 Ų88.530%0.30344%0.435SS..  trans-96.685.7-179.5-61.588.5000110.6K58 L59 K60 E67 K68 I71K58-W62 PolarHBondContact O-NE1 3.03Å; L59-W62 PolarHBondContact O-N 3.11Å; K60-W62 VanDerWaalsContact C-N 3.3Å; K60-W62 PolarHBondContact O-N 3.1Å; W62-E67 HydrophobicContact CE3-CB 3.6Å; W62-E67 HydrophobicContact CZ3-CB 3.91Å; W62-K68 HydrophobicContact CB-CB 4.37Å; W62-I71 HydrophobicContact CB-CG2 4.34Å; W62-I71 HydrophobicContact CD2-CB 4.33Å; W62-I71 HydrophobicContact CD2-CG2 4Å; W62-I71 HydrophobicContact CG-CG2 3.9Å; W62-I71 HydrophobicContact CZ2-CB 4.46Å; W62-I71 HydrophobicContact CZ2-CD1 4.48Å
63T83.6Confident87.6Confident128 Ų12887.2 Ų87.279%0.78542%0.421SS*.  trans-87.1-30.5-175.953.90000113.3N61N61-T63 PolarHBondContact O-N 3.38Å
64E86.8Confident87.6Confident89 Ų8986.6 Ų86.642%0.41641%0.412SS..SBendtrans-76.2135.2-179.3-156.8-156.8134.300111.1N66 E67 K68E64-N66 VanDerWaalsContact C-N 3.31Å; E64-N66 PolarHBondContact O-N 3.49Å; E64-N66 PolarHBondContact OE1-ND2 3.38Å; E64-E67 HydrophobicContact CB-CB 4.2Å; E64-E67 HydrophobicContact CB-CG 3.83Å; E64-E67 WeakPolarHBondContact CB-OE2 3.43Å; E64-E67 PolarHBondContact O-N 3.44Å; E64-K68 VanDerWaalsContact O-CB 3.23Å; E64-K68 WeakPolarHBondContact O-CB 3.26Å; E64-K68 PolarHBondContact O-N 3.08Å
65R81.8Confident87.6Confident185 Ų18581.6 Ų81.670%0.69839%0.387SS*.Hα-helixtrans-55.5-44-177.9-177.6-175-68.4138.5-2.8112.6R69R65-R69 VanDerWaalsContact O-CG 3.3Å; R65-R69 WeakPolarHBondContact O-CG 3.36Å; R65-R69 PolarHBondContact O-N 3.28Å; R65-R69 VanDerWaalsContact O-N 3.11Å
66N82.4Confident87.5Confident89 Ų8980.4 Ų80.448%0.47638%0.383SS..Hα-helixtrans-71.2-43.4-175.3-62.8-43.8000111.3E64 R69 I70E64-N66 VanDerWaalsContact C-N 3.31Å; E64-N66 PolarHBondContact O-N 3.49Å; E64-N66 PolarHBondContact OE1-ND2 3.38Å; N66-R69 PolarHBondContact O-N 3.46Å; N66-I70 WeakPolarHBondContact O-CG1 3.42Å; N66-I70 PolarHBondContact O-N 3.48Å
67E84.5Confident87.6Confident77 Ų7777 Ų7736%0.3636%0.363SS..Hα-helixtrans-63.9-44.2176.4-54.4179146.500111.4W62 E64 R69 I70 I71W62-E67 HydrophobicContact CE3-CB 3.6Å; W62-E67 HydrophobicContact CZ3-CB 3.91Å; E64-E67 HydrophobicContact CB-CB 4.2Å; E64-E67 HydrophobicContact CB-CG 3.83Å; E64-E67 WeakPolarHBondContact CB-OE2 3.43Å; E64-E67 PolarHBondContact O-N 3.44Å; E67-R69 PolarHBondContact O-N 3.4Å; E67-I70 WeakPolarHBondContact O-CB 3.4Å; E67-I70 PolarHBondContact O-N 3.3Å; E67-I71 PolarHBondContact O-N 3.31Å
68K87.8Confident87.7Confident95 Ų9575.8 Ų75.841%0.41336%0.358SS..Hα-helixtrans-58.1-37.5175.2-170.7171.3-176.3169.60112.2W62 E64 I70 I71 L72W62-K68 HydrophobicContact CB-CB 4.37Å; E64-K68 VanDerWaalsContact O-CB 3.23Å; E64-K68 WeakPolarHBondContact O-CB 3.26Å; E64-K68 PolarHBondContact O-N 3.08Å; K68-I70 VanDerWaalsContact C-N 3.33Å; K68-I70 PolarHBondContact O-N 2.94Å; K68-I71 VanDerWaalsContact O-CG2 3.24Å; K68-I71 WeakPolarHBondContact O-CG2 3.23Å; K68-L72 HydrophobicContact CG-CD1 3.93Å; K68-L72 HydrophobicContact CG-CG 4.38Å; K68-L72 WeakPolarHBondContact O-CB 3.48Å; K68-L72 WeakPolarHBondContact O-CD1 3.43Å; K68-L72 WeakPolarHBondContact O-CG 3.39Å; K68-L72 PolarHBondContact O-N 3.43Å
69R86.6Confident88Confident91 Ų9173.7 Ų73.734%0.34335%0.347SS..Hα-helixtrans-67.4-31.8176.4-75.1178.576.51665.2113.1R65 N66 E67 S73 S106 L107 P108R65-R69 VanDerWaalsContact O-CG 3.3Å; R65-R69 WeakPolarHBondContact O-CG 3.36Å; R65-R69 PolarHBondContact O-N 3.28Å; R65-R69 VanDerWaalsContact O-N 3.11Å; N66-R69 PolarHBondContact O-N 3.46Å; E67-R69 PolarHBondContact O-N 3.4Å; R69-S73 PolarHBondContact O-N 2.99Å; R69-S73 VanDerWaalsContact O-N 3.08Å; R69-S106 PolarHBondContact NH2-O 3.48Å; R69-L107 HydrophobicContact CB-CD2 4.15Å; R69-L107 HydrophobicContact CG-CD2 4.13Å; R69-P108 HydrophobicContact CB-CG 4.04Å
70I87.7Confident88.2Confident21 Ų2172.8 Ų72.811%0.10834%0.342CS..Hα-helixtrans-68-48.9176.5-65.4163.2000110.3N66 E67 K68 L72 S73 Q74 K113N66-I70 WeakPolarHBondContact O-CG1 3.42Å; N66-I70 PolarHBondContact O-N 3.48Å; E67-I70 WeakPolarHBondContact O-CB 3.4Å; E67-I70 PolarHBondContact O-N 3.3Å; K68-I70 VanDerWaalsContact C-N 3.33Å; K68-I70 PolarHBondContact O-N 2.94Å; I70-L72 VanDerWaalsContact C-N 3.34Å; I70-L72 PolarHBondContact O-N 2.82Å; I70-S73 PolarHBondContact O-N 2.89Å; I70-S73 PolarHBondContact O-OG 3.42Å; I70-Q74 PolarHBondContact O-N 3.24Å; I70-K113 HydrophobicContact CD1-CB 4.19Å; I70-K113 HydrophobicContact CD1-CD 3.24Å; I70-K113 HydrophobicContact CD1-CG 4.36Å; I70-K113 HydrophobicContact CG1-CD 3.83Å; I70-K113 HydrophobicContact CG2-CB 4.4Å
71I88.3Confident88.5Confident33 Ų3371.4 Ų71.417%0.16934%0.338CS..Hα-helixtrans-68.5-35.8-179.9-170.663.6000111.6L59 W62 E67 K68 S73 Q74 I75L59-I71 HydrophobicContact CD2-CG1 4.23Å; L59-I71 HydrophobicContact CD2-CG2 3.54Å; W62-I71 HydrophobicContact CB-CG2 4.34Å; W62-I71 HydrophobicContact CD2-CB 4.33Å; W62-I71 HydrophobicContact CD2-CG2 4Å; W62-I71 HydrophobicContact CG-CG2 3.9Å; W62-I71 HydrophobicContact CZ2-CB 4.46Å; W62-I71 HydrophobicContact CZ2-CD1 4.48Å; E67-I71 PolarHBondContact O-N 3.31Å; K68-I71 VanDerWaalsContact O-CG2 3.24Å; K68-I71 WeakPolarHBondContact O-CG2 3.23Å; I71-S73 PolarHBondContact O-N 2.99Å; I71-Q74 PolarHBondContact O-N 3.3Å; I71-I75 HydrophobicContact CG1-CD1 4.16Å; I71-I75 WeakPolarHBondContact O-CG1 3.34Å; I71-I75 PolarHBondContact O-N 3.43Å
72L90.1Very high89Confident43 Ų4368.2 Ų68.223%0.22532%0.319CS..Hα-helixtrans-64.7-36.8175.1-73.6171.8000112.6L59 K68 I70 Q74 I75 V76 L107L59-L72 HydrophobicContact CD1-CD2 4.11Å; L59-L72 HydrophobicContact CD2-CD2 4.16Å; L59-L72 HydrophobicContact CD2-CG 4.45Å; K68-L72 HydrophobicContact CG-CD1 3.93Å; K68-L72 HydrophobicContact CG-CG 4.38Å; K68-L72 WeakPolarHBondContact O-CB 3.48Å; K68-L72 WeakPolarHBondContact O-CD1 3.43Å; K68-L72 WeakPolarHBondContact O-CG 3.39Å; K68-L72 PolarHBondContact O-N 3.43Å; I70-L72 VanDerWaalsContact C-N 3.34Å; I70-L72 PolarHBondContact O-N 2.82Å; L72-Q74 PolarHBondContact O-N 3.12Å; L72-I75 PolarHBondContact O-N 2.9Å; L72-V76 WeakPolarHBondContact O-CB 3.27Å; L72-V76 VanDerWaalsContact O-CG2 3.28Å; L72-V76 WeakPolarHBondContact O-CG2 3.47Å; L72-V76 PolarHBondContact O-N 2.9Å; L72-L107 HydrophobicContact CB-CD1 4.35Å
73S89.4Confident89.3Confident7 Ų764.5 Ų64.55%0.04931%0.306CS..Hα-helixtrans-62.5-34.7176.873.50000111.8R69 I70 I71 S77 P108 G110R69-S73 PolarHBondContact O-N 2.99Å; R69-S73 VanDerWaalsContact O-N 3.08Å; I70-S73 PolarHBondContact O-N 2.89Å; I70-S73 PolarHBondContact O-OG 3.42Å; I71-S73 PolarHBondContact O-N 2.99Å; S73-S77 PolarHBondContact O-N 3.03Å; S73-S77 VanDerWaalsContact O-N 3.16Å; S73-S77 PolarHBondContact O-OG 3.17Å; S73-P108 WeakPolarHBondContact CB-O 3.44Å; S73-P108 PolarHBondContact OG-O 3.48Å; S73-G110 WeakPolarHBondContact OG-CA 3.4Å; S73-G110 PolarHBondContact OG-N 3.34Å
74Q90.1Very high89.6Confident52 Ų5264.3 Ų64.324%0.24330%0.296CS..Hα-helixtrans-71.8-46.3176.6-17063.30.200111.8I70 I71 L72 V76 S77 M78I70-Q74 PolarHBondContact O-N 3.24Å; I71-Q74 PolarHBondContact O-N 3.3Å; L72-Q74 PolarHBondContact O-N 3.12Å; Q74-V76 VanDerWaalsContact C-N 3.32Å; Q74-V76 PolarHBondContact O-N 3.09Å; Q74-S77 WeakPolarHBondContact O-CB 3.28Å; Q74-S77 PolarHBondContact O-N 3.47Å; Q74-S77 VanDerWaalsContact O-N 3.08Å; Q74-M78 WeakPolarHBondContact O-CG 3.41Å; Q74-M78 PolarHBondContact O-N 3.27Å
75I91.8Very high89.7Confident15 Ų1567 Ų678%0.07731%0.313CS..Hα-helixtrans-59.5-43.4177.3-68167.1000111F55 L59 I71 L72 S77 M78 Y79F55-I75 HydrophobicContact CB-CD1 4.19Å; F55-I75 HydrophobicContact CD1-CD1 4.11Å; F55-I75 HydrophobicContact CD1-CG1 3.81Å; F55-I75 HydrophobicContact CD1-CG2 4.21Å; F55-I75 HydrophobicContact CD2-CG2 4.29Å; F55-I75 HydrophobicContact CE1-CG1 4.21Å; F55-I75 HydrophobicContact CE1-CG2 4.42Å; F55-I75 HydrophobicContact CE2-CG2 4.5Å; F55-I75 HydrophobicContact CG-CD1 4.37Å; F55-I75 HydrophobicContact CG-CG1 4.38Å; F55-I75 HydrophobicContact CG-CG2 4.15Å; L59-I75 HydrophobicContact CD1-CD1 3.95Å; L59-I75 HydrophobicContact CD2-CD1 3.84Å; L59-I75 HydrophobicContact CG-CD1 3.97Å; I71-I75 HydrophobicContact CG1-CD1 4.16Å; I71-I75 WeakPolarHBondContact O-CG1 3.34Å; I71-I75 PolarHBondContact O-N 3.43Å; L72-I75 PolarHBondContact O-N 2.9Å; I75-S77 VanDerWaalsContact C-N 3.29Å; I75-S77 PolarHBondContact O-N 3.49Å; I75-M78 PolarHBondContact O-N 3.26Å; I75-Y79 HydrophobicContact CG2-CD2 3.75Å; I75-Y79 HydrophobicContact CG2-CE2 3.49Å; I75-Y79 VanDerWaalsContact CG2-CE2 3.49Å; I75-Y79 VanDerWaalsContact O-CD2 3.3Å; I75-Y79 WeakPolarHBondContact O-CD2 3.4Å; I75-Y79 PolarHBondContact O-N 2.73Å
76V91.8Very high90Very high15 Ų1559.4 Ų59.49%0.09129%0.287CS..Hα-helixtrans-61.6-39176171.70000111.3L72 Q74 Y79 L80 L100 K104 L107L72-V76 WeakPolarHBondContact O-CB 3.27Å; L72-V76 VanDerWaalsContact O-CG2 3.28Å; L72-V76 WeakPolarHBondContact O-CG2 3.47Å; L72-V76 PolarHBondContact O-N 2.9Å; Q74-V76 VanDerWaalsContact C-N 3.32Å; Q74-V76 PolarHBondContact O-N 3.09Å; V76-Y79 PolarHBondContact O-N 2.7Å; V76-L80 HydrophobicContact CG1-CD1 4.25Å; V76-L80 WeakPolarHBondContact O-CG 3.25Å; V76-L80 PolarHBondContact O-N 2.66Å; V76-L100 HydrophobicContact CG1-CB 4.3Å; V76-L100 HydrophobicContact CG1-CD2 4.23Å; V76-L100 VanDerWaalsContact CG1-O 3.27Å; V76-L100 WeakPolarHBondContact CG1-O 3.46Å; V76-K104 HydrophobicContact CG1-CB 3.82Å; V76-L107 HydrophobicContact CG2-CD1 4.17Å
77S91.3Very high90.3Very high22 Ų2259 Ų5915%0.15429%0.285CS..Hα-helixtrans-64.3-40175.3-62.50000112.3S73 Q74 I75 L80 E81 K104S73-S77 PolarHBondContact O-N 3.03Å; S73-S77 VanDerWaalsContact O-N 3.16Å; S73-S77 PolarHBondContact O-OG 3.17Å; Q74-S77 WeakPolarHBondContact O-CB 3.28Å; Q74-S77 PolarHBondContact O-N 3.47Å; Q74-S77 VanDerWaalsContact O-N 3.08Å; I75-S77 VanDerWaalsContact C-N 3.29Å; I75-S77 PolarHBondContact O-N 3.49Å; S77-L80 PolarHBondContact O-N 3.2Å; S77-E81 WeakPolarHBondContact O-CB 3.42Å; S77-E81 PolarHBondContact O-N 3.43Å; S77-K104 VanDerWaalsContact OG-CE 3.22Å; S77-K104 WeakPolarHBondContact OG-CE 3.49Å; S77-K104 PolarHBondContact OG-NZ 3.03Å
78M93.1Very high90.3Very high83 Ų8360.5 Ų60.541%0.40929%0.291SS..Hα-helixtrans-64.9-39.2175.5-65.417570.200112.2F55 Q74 I75 E81 M82F55-M78 HydrophobicContact CE1-CE 3.95Å; F55-M78 HydrophobicContact CE1-SD 3.98Å; F55-M78 HydrophobicContact CZ-CE 4.1Å; F55-M78 HydrophobicContact CZ-SD 4.43Å; Q74-M78 WeakPolarHBondContact O-CG 3.41Å; Q74-M78 PolarHBondContact O-N 3.27Å; I75-M78 PolarHBondContact O-N 3.26Å; M78-E81 PolarHBondContact O-N 3.26Å; M78-M82 WeakPolarHBondContact O-CB 3.11Å; M78-M82 PolarHBondContact O-N 3.2Å
79Y94.3Very high90.2Very high95 Ų9560.8 Ų60.837%0.37331%0.305SS..Hα-helixtrans-64.4-42.2173.7-80.5-62.6000112.1F55 I75 V76 E81 M82 L83F55-Y79 HydrophobicContact CD2-CE2 4.24Å; F55-Y79 AromaticContact CD2-CZ 3.96Å; F55-Y79 WeakPolarHBondContact CD2-OH 3.48Å; F55-Y79 HydrophobicContact CE2-CE1 4.26Å; F55-Y79 HydrophobicContact CE2-CE2 4.11Å; F55-Y79 AromaticContact CE2-CZ 3.75Å; I75-Y79 HydrophobicContact CG2-CD2 3.75Å; I75-Y79 HydrophobicContact CG2-CE2 3.49Å; I75-Y79 VanDerWaalsContact CG2-CE2 3.49Å; I75-Y79 VanDerWaalsContact O-CD2 3.3Å; I75-Y79 WeakPolarHBondContact O-CD2 3.4Å; I75-Y79 PolarHBondContact O-N 2.73Å; V76-Y79 PolarHBondContact O-N 2.7Å; Y79-E81 VanDerWaalsContact C-N 3.35Å; Y79-M82 HydrophobicContact CD1-CE 4.03Å; Y79-M82 HydrophobicContact CD1-SD 4.49Å; Y79-M82 WeakPolarHBondContact O-CB 3.45Å; Y79-M82 PolarHBondContact O-N 3.04Å; Y79-L83 VanDerWaalsContact O-CG 3.27Å; Y79-L83 WeakPolarHBondContact O-CG 3.25Å; Y79-L83 PolarHBondContact O-N 3.26Å
80L93.3Very high90.4Very high15 Ų1559.6 Ų59.68%0.07930%0.302CS..Hα-helixtrans-60.7-45175.7-74.6167.1000111.4V76 S77 L83 E84 S97 L100 F101 K104V76-L80 HydrophobicContact CG1-CD1 4.25Å; V76-L80 WeakPolarHBondContact O-CG 3.25Å; V76-L80 PolarHBondContact O-N 2.66Å; S77-L80 PolarHBondContact O-N 3.2Å; L80-L83 CarbonylContact O-C 3.6Å; L80-L83 PolarHBondContact O-N 3.48Å; L80-E84 WeakPolarHBondContact O-CG 3.03Å; L80-E84 PolarHBondContact O-N 3.04Å; L80-S97 WeakPolarHBondContact CD2-O 3.44Å; L80-L100 HydrophobicContact CD2-CB 3.68Å; L80-L100 HydrophobicContact CG-CB 3.98Å; L80-F101 HydrophobicContact CD2-CB 4.46Å; L80-K104 HydrophobicContact CD1-CB 4.25Å; L80-K104 HydrophobicContact CD1-CD 3.58Å
81E94.1Very high90.6Very high124 Ų12461.2 Ų61.258%0.57932%0.323SS*.Hα-helixtrans-61.1-43175.6-176.4-179.8179.300112.1S77 M78 Y79 L83 E84S77-E81 WeakPolarHBondContact O-CB 3.42Å; S77-E81 PolarHBondContact O-N 3.43Å; M78-E81 PolarHBondContact O-N 3.26Å; Y79-E81 VanDerWaalsContact C-N 3.35Å; E81-L83 VanDerWaalsContact C-N 3.29Å; E81-L83 PolarHBondContact O-N 3.18Å; E81-E84 WeakPolarHBondContact O-CB 3.42Å; E81-E84 PolarHBondContact O-N 3.27Å
82M94.1Very high90.7Very high73 Ų7360.5 Ų60.536%0.3632%0.32SS..Hα-helixtrans-59-41.9174.1-176.8-16576.900111.7M78 Y79 E84 T86M78-M82 WeakPolarHBondContact O-CB 3.11Å; M78-M82 PolarHBondContact O-N 3.2Å; Y79-M82 HydrophobicContact CD1-CE 4.03Å; Y79-M82 HydrophobicContact CD1-SD 4.49Å; Y79-M82 WeakPolarHBondContact O-CB 3.45Å; Y79-M82 PolarHBondContact O-N 3.04Å; M82-E84 VanDerWaalsContact C-N 3.32Å; M82-T86 PolarHBondContact O-OG1 3.32Å
83L93.1Very high90.9Very high2 Ų258.5 Ų58.51%0.0131%0.309CS..Hα-helixtrans-76.2-17.2-179.9-65.7175.5000113.4L37 Y79 L80 E81 N85 T86 V93 I96 L100L37-L83 HydrophobicContact CD1-CD2 4.18Å; L37-L83 HydrophobicContact CD2-CD2 3.98Å; Y79-L83 VanDerWaalsContact O-CG 3.27Å; Y79-L83 WeakPolarHBondContact O-CG 3.25Å; Y79-L83 PolarHBondContact O-N 3.26Å; L80-L83 CarbonylContact O-C 3.6Å; L80-L83 PolarHBondContact O-N 3.48Å; E81-L83 VanDerWaalsContact C-N 3.29Å; E81-L83 PolarHBondContact O-N 3.18Å; L83-N85 PolarHBondContact O-N 2.86Å; L83-T86 PolarHBondContact O-N 3.25Å; L83-T86 VanDerWaalsContact O-N 3.13Å; L83-V93 HydrophobicContact CD2-CG1 4.35Å; L83-I96 HydrophobicContact CD1-CB 4.46Å; L83-I96 HydrophobicContact CD1-CG2 3.71Å; L83-L100 HydrophobicContact CD1-CD1 3.71Å
84E90.4Very high91Very high124 Ų12465.3 Ų65.358%0.57933%0.334SS*.Hα-helixtrans-61.5-34.2174-79.5177.8179.500112.5L80 E81 M82 T86L80-E84 WeakPolarHBondContact O-CG 3.03Å; L80-E84 PolarHBondContact O-N 3.04Å; E81-E84 WeakPolarHBondContact O-CB 3.42Å; E81-E84 PolarHBondContact O-N 3.27Å; M82-E84 VanDerWaalsContact C-N 3.32Å; E84-T86 VanDerWaalsContact C-N 3.3Å
85N87.7Confident91.1Very high147 Ų14765.6 Ų65.679%0.78634%0.335SS*.THydrogen-bonded Turntrans-85.1-2.5178.5-61.4-50.7000113.4L83L83-N85 PolarHBondContact O-N 2.86Å
86T89.5Confident91.1Very high24 Ų2465.3 Ų65.315%0.14733%0.333CS..SBendtrans-93.2154179.1-52.60000110.3F41 M82 L83 E84 K88 V93F41-T86 HydrophobicContact CE2-CG2 4.4Å; M82-T86 PolarHBondContact O-OG1 3.32Å; L83-T86 PolarHBondContact O-N 3.25Å; L83-T86 VanDerWaalsContact O-N 3.13Å; E84-T86 VanDerWaalsContact C-N 3.3Å; T86-K88 PolarHBondContact O-N 3.48Å; T86-V93 HydrophobicContact CG2-CG1 4.01Å; T86-V93 HydrophobicContact CG2-CG2 3.75Å
87D88.1Confident91.2Very high81 Ų8166 Ų6643%0.43334%0.339SS..  trans-62.5102.6175.4179.210000111.9S89 K90D87-S89 PolarHBondContact O-N 3.42Å; D87-S89 WeakPolarHBondContact OD1-CB 3.11Å; D87-S89 PolarHBondContact OD1-N 2.81Å; D87-S89 PolarHBondContact OD1-OG 2.93Å; D87-S89 PolarHBondContact OD2-OG 3.34Å; D87-K90 HydrophobicContact CB-CD 4.1Å; D87-K90 HydrophobicContact CB-CG 4.28Å; D87-K90 WeakPolarHBondContact O-CB 3.23Å; D87-K90 PolarHBondContact O-N 3.42Å
88K83.8Confident91.2Very high109 Ų10969.3 Ų69.347%0.47435%0.352SS..THydrogen-bonded Turntrans-74.1-8.2179.7-61.7-178.8-176.81770113.7T86 K90T86-K88 PolarHBondContact O-N 3.48Å; K88-K90 PolarHBondContact O-N 3.33Å
89S85.8Confident91.1Very high101 Ų10167.7 Ų67.771%0.70634%0.343SS*.THydrogen-bonded Turntrans-68-21.4172.975.70000111.8D87 G91D87-S89 PolarHBondContact O-N 3.42Å; D87-S89 WeakPolarHBondContact OD1-CB 3.11Å; D87-S89 PolarHBondContact OD1-N 2.81Å; D87-S89 PolarHBondContact OD1-OG 2.93Å; D87-S89 PolarHBondContact OD2-OG 3.34Å; S89-G91 PolarHBondContact O-N 3.33Å
90K91.2Very high90.9Very high65 Ų6564.2 Ų64.228%0.28333%0.331SS..SBendtrans-72.6122.9176.5-60.7176.9177.4-168.10110.9E40 D87 K88 H92 V93 R94E40-K90 WeakPolarHBondContact OE1-CD 3.44Å; E40-K90 WeakPolarHBondContact OE1-CE 3.38Å; E40-K90 IonicContact OE1-NZ 3.28Å; E40-K90 PolarHBondContact OE1-NZ 2.77Å; E40-K90 IonicContact OE2-NZ 3Å; E40-K90 PolarHBondContact OE2-NZ 3.25Å; D87-K90 HydrophobicContact CB-CD 4.1Å; D87-K90 HydrophobicContact CB-CG 4.28Å; D87-K90 WeakPolarHBondContact O-CB 3.23Å; D87-K90 PolarHBondContact O-N 3.42Å; K88-K90 PolarHBondContact O-N 3.33Å; K90-H92 VanDerWaalsContact C-N 3.29Å; K90-H92 PolarHBondContact O-N 3.08Å; K90-V93 HydrophobicContact CB-CB 4.21Å; K90-V93 HydrophobicContact CB-CG2 3.91Å; K90-V93 HydrophobicContact CD-CG2 4.22Å; K90-V93 PolarHBondContact O-N 3.47Å; K90-R94 PolarHBondContact O-N 3.1Å
91G90.9Very high90.8Very high55 Ų5569 Ų6957%0.56735%0.352SS*.Hα-helixtrans-56.3-39-177.300000114S89 R94 H95S89-G91 PolarHBondContact O-N 3.33Å; G91-R94 PolarHBondContact O-N 3.33Å; G91-H95 WeakPolarHBondContact O-CB 3.34Å; G91-H95 PolarHBondContact O-N 2.81Å
92H91.3Very high90.5Very high19 Ų1967.1 Ų67.19%0.08835%0.349CS..Hα-helixtrans-68.5-41.2179.359.6-82.5000112.7D33 K36 E40 K90 H95 I96D33-H92 HydrophobicContact CB-CB 3.63Å; D33-H92 VanDerWaalsContact OD1-CB 3.3Å; D33-H92 WeakPolarHBondContact OD1-CB 3.41Å; K36-H92 HydrophobicContact CB-CB 4.4Å; K36-H92 HydrophobicContact CD-CB 4.06Å; E40-H92 IonicContact OE1-CE1 3.74Å; E40-H92 PolarHBondContact OE1-CE1 3.21Å; E40-H92 IonicContact OE1-NE2 3.21Å; E40-H92 PolarHBondContact OE1-NE2 3.05Å; E40-H92 IonicContact OE2-CE1 2.72Å; E40-H92 IonicContact OE2-NE2 3.71Å; E40-H92 PolarHBondContact OE2-NE2 3.36Å; K90-H92 VanDerWaalsContact C-N 3.29Å; K90-H92 PolarHBondContact O-N 3.08Å; H92-H95 PolarHBondContact O-N 2.83Å; H92-I96 WeakPolarHBondContact O-CB 3.3Å; H92-I96 WeakPolarHBondContact O-CD1 3.31Å; H92-I96 WeakPolarHBondContact O-CG1 3.41Å; H92-I96 PolarHBondContact O-N 3.08Å
93V93.2Very high90.2Very high0 Ų065.5 Ų65.50%034%0.341CS..Hα-helixtrans-62.9-45.5176.2175.60000110.2L37 L83 T86 K90 S97L37-V93 HydrophobicContact CD1-CG2 4.06Å; L83-V93 HydrophobicContact CD2-CG1 4.35Å; T86-V93 HydrophobicContact CG2-CG1 4.01Å; T86-V93 HydrophobicContact CG2-CG2 3.75Å; K90-V93 HydrophobicContact CB-CB 4.21Å; K90-V93 HydrophobicContact CB-CG2 3.91Å; K90-V93 HydrophobicContact CD-CG2 4.22Å; K90-V93 PolarHBondContact O-N 3.47Å; V93-S97 WeakPolarHBondContact O-CB 3.41Å; V93-S97 PolarHBondContact O-N 3.14Å
94R92.5Very high89.9Confident150 Ų15069.3 Ų69.357%0.56636%0.358SS*.Hα-helixtrans-60.9-49.8178.1179.6177.9169.6178.5-3.1111.7K90 G91 I96 S97 E98K90-R94 PolarHBondContact O-N 3.1Å; G91-R94 PolarHBondContact O-N 3.33Å; R94-I96 PolarHBondContact O-N 2.88Å; R94-S97 WeakPolarHBondContact O-CB 3.27Å; R94-S97 PolarHBondContact O-N 2.92Å; R94-E98 HydrophobicContact CG-CG 4.48Å; R94-E98 WeakPolarHBondContact CG-OE1 3.3Å; R94-E98 IonicContact CZ-OE1 3.52Å; R94-E98 IonicContact NE-OE1 2.79Å; R94-E98 PolarHBondContact NE-OE1 3.44Å; R94-E98 IonicContact NH2-OE1 3.32Å; R94-E98 PolarHBondContact NH2-OE1 3.19Å; R94-E98 WeakPolarHBondContact O-CG 3.42Å; R94-E98 PolarHBondContact O-N 3.46Å
95H92.2Very high89.6Confident58 Ų5868.6 Ų68.627%0.26936%0.358SS..Hα-helixtrans-61.6-45-179.6-178.3-147.8000111.8D33 G91 H92 S97 E98 E99D33-H95 IonicContact OD2-CE1 3.69Å; D33-H95 IonicContact OD2-CG 3.61Å; D33-H95 IonicContact OD2-ND1 2.69Å; D33-H95 PolarHBondContact OD2-ND1 3.22Å; G91-H95 WeakPolarHBondContact O-CB 3.34Å; G91-H95 PolarHBondContact O-N 2.81Å; H92-H95 PolarHBondContact O-N 2.83Å; H95-S97 VanDerWaalsContact C-N 3.33Å; H95-S97 PolarHBondContact O-N 2.93Å; H95-E98 PolarHBondContact O-N 2.69Å; H95-E99 WeakPolarHBondContact O-CG 3.3Å; H95-E99 PolarHBondContact O-N 3.34Å
96I92.4Very high89.4Confident9 Ų964.5 Ų64.55%0.04634%0.341CS..Hα-helixtrans-58.6-44.6173.7-66.6165.9000111.3L30 D33 I34 L37 L83 H92 R94 E98 E99 L100L30-I96 HydrophobicContact CD1-CB 4.33Å; L30-I96 HydrophobicContact CD1-CG1 3.58Å; L30-I96 HydrophobicContact CD2-CG1 4.11Å; L30-I96 HydrophobicContact CD2-CG2 4.49Å; L30-I96 HydrophobicContact CG-CG1 3.87Å; D33-I96 HydrophobicContact CB-CD1 4.01Å; D33-I96 HydrophobicContact CB-CG1 4.03Å; I34-I96 HydrophobicContact CG1-CD1 4.4Å; L37-I96 HydrophobicContact CB-CD1 4.07Å; L37-I96 HydrophobicContact CD2-CD1 3.8Å; L37-I96 HydrophobicContact CG-CD1 4.48Å; L83-I96 HydrophobicContact CD1-CB 4.46Å; L83-I96 HydrophobicContact CD1-CG2 3.71Å; H92-I96 WeakPolarHBondContact O-CB 3.3Å; H92-I96 WeakPolarHBondContact O-CD1 3.31Å; H92-I96 WeakPolarHBondContact O-CG1 3.41Å; H92-I96 PolarHBondContact O-N 3.08Å; R94-I96 PolarHBondContact O-N 2.88Å; I96-E98 PolarHBondContact O-N 2.66Å; I96-E99 PolarHBondContact O-N 2.96Å; I96-L100 HydrophobicContact CG2-CD1 3.75Å; I96-L100 HydrophobicContact CG2-CG 4.22Å; I96-L100 WeakPolarHBondContact O-CB 3.28Å; I96-L100 VanDerWaalsContact O-CG 3.26Å; I96-L100 WeakPolarHBondContact O-CG 3.42Å; I96-L100 PolarHBondContact O-N 2.98Å
97S92.7Very high89Confident30 Ų3064.3 Ų64.321%0.2134%0.339CS..Hα-helixtrans-63.7-40.6179.7-172.80000112.5L80 V93 R94 H95 F101L80-S97 WeakPolarHBondContact CD2-O 3.44Å; V93-S97 WeakPolarHBondContact O-CB 3.41Å; V93-S97 PolarHBondContact O-N 3.14Å; R94-S97 WeakPolarHBondContact O-CB 3.27Å; R94-S97 PolarHBondContact O-N 2.92Å; H95-S97 VanDerWaalsContact C-N 3.33Å; H95-S97 PolarHBondContact O-N 2.93Å; S97-F101 VanDerWaalsContact O-CB 3.31Å; S97-F101 WeakPolarHBondContact O-CB 3.22Å; S97-F101 PolarHBondContact O-N 3.08Å
98E91.7Very high88.6Confident91 Ų9162.8 Ų62.843%0.42533%0.333SS..Hα-helixtrans-65.6-42.8178.6-72.8171.9178.500111.4R94 H95 I96 F101 T102R94-E98 HydrophobicContact CG-CG 4.48Å; R94-E98 WeakPolarHBondContact CG-OE1 3.3Å; R94-E98 IonicContact CZ-OE1 3.52Å; R94-E98 IonicContact NE-OE1 2.79Å; R94-E98 PolarHBondContact NE-OE1 3.44Å; R94-E98 IonicContact NH2-OE1 3.32Å; R94-E98 PolarHBondContact NH2-OE1 3.19Å; R94-E98 WeakPolarHBondContact O-CG 3.42Å; R94-E98 PolarHBondContact O-N 3.46Å; H95-E98 PolarHBondContact O-N 2.69Å; I96-E98 PolarHBondContact O-N 2.66Å; E98-F101 PolarHBondContact O-N 3.05Å; E98-T102 PolarHBondContact O-N 2.98Å; E98-T102 PolarHBondContact O-OG1 3.36Å
99E90.6Very high88.3Confident49 Ų4963 Ų6323%0.22934%0.339CS..Hα-helixtrans-65.2-45.4175.3-73.5-61.614800111.9I26 L30 H95 I96 F101 T102 L103I26-E99 HydrophobicContact CG2-CG 4.36Å; I26-E99 VanDerWaalsContact CG2-OE2 3.28Å; I26-E99 WeakPolarHBondContact CG2-OE2 3.35Å; L30-E99 HydrophobicContact CD1-CG 4.34Å; H95-E99 WeakPolarHBondContact O-CG 3.3Å; H95-E99 PolarHBondContact O-N 3.34Å; I96-E99 PolarHBondContact O-N 2.96Å; E99-F101 VanDerWaalsContact C-N 3.31Å; E99-F101 PolarHBondContact O-N 2.96Å; E99-T102 PolarHBondContact O-N 3.4Å; E99-L103 WeakPolarHBondContact O-CG 3.46Å; E99-L103 PolarHBondContact O-N 3.39Å
100L91.2Very high87.7Confident22 Ų2258.2 Ų58.212%0.11531%0.307CS..Hα-helixtrans-62.1-38.3175.6-73.8174.1000112.1V76 L80 L83 I96 L103 K104V76-L100 HydrophobicContact CG1-CB 4.3Å; V76-L100 HydrophobicContact CG1-CD2 4.23Å; V76-L100 VanDerWaalsContact CG1-O 3.27Å; V76-L100 WeakPolarHBondContact CG1-O 3.46Å; L80-L100 HydrophobicContact CD2-CB 3.68Å; L80-L100 HydrophobicContact CG-CB 3.98Å; L83-L100 HydrophobicContact CD1-CD1 3.71Å; I96-L100 HydrophobicContact CG2-CD1 3.75Å; I96-L100 HydrophobicContact CG2-CG 4.22Å; I96-L100 WeakPolarHBondContact O-CB 3.28Å; I96-L100 VanDerWaalsContact O-CG 3.26Å; I96-L100 WeakPolarHBondContact O-CG 3.42Å; I96-L100 PolarHBondContact O-N 2.98Å; L100-L103 PolarHBondContact O-N 2.85Å; L100-K104 WeakPolarHBondContact O-CB 3.35Å; L100-K104 PolarHBondContact O-N 3.23Å
101F90Very high87Confident116 Ų11659.3 Ų59.351%0.50932%0.315SS..Hα-helixtrans-64.5-42.8175.9-170.9-98000111.6L80 S97 E98 E99 L103 K104 N105L80-F101 HydrophobicContact CD2-CB 4.46Å; S97-F101 VanDerWaalsContact O-CB 3.31Å; S97-F101 WeakPolarHBondContact O-CB 3.22Å; S97-F101 PolarHBondContact O-N 3.08Å; E98-F101 PolarHBondContact O-N 3.05Å; E99-F101 VanDerWaalsContact C-N 3.31Å; E99-F101 PolarHBondContact O-N 2.96Å; F101-L103 PolarHBondContact O-N 3.3Å; F101-K104 WeakPolarHBondContact O-CB 3.23Å; F101-K104 PolarHBondContact O-N 2.92Å; F101-N105 WeakPolarHBondContact CD1-ND2 3.48Å; F101-N105 WeakPolarHBondContact CE1-ND2 3.29Å; F101-N105 PolarHBondContact O-N 3.09Å; F101-N105 VanDerWaalsContact O-N 3.09Å; F101-N105 PolarHBondContact O-ND2 3.16Å
102T88.9Confident86.7Confident85 Ų8563.4 Ų63.452%0.52132%0.317SS..Hα-helixtrans-62-43.7175.4-59.80000111.4E98 E99 N105 S106E98-T102 PolarHBondContact O-N 2.98Å; E98-T102 PolarHBondContact O-OG1 3.36Å; E99-T102 PolarHBondContact O-N 3.4Å; T102-N105 PolarHBondContact O-N 3.26Å; T102-S106 PolarHBondContact O-N 3.08Å
103L86.6Confident86.3Confident39 Ų3967.3 Ų67.320%0.20433%0.334CS..Hα-helixtrans-62.1-44.2174.9-73171.1000112F21 E99 L100 F101 N105 S106 L107F21-L103 HydrophobicContact CE1-CD2 4.02Å; E99-L103 WeakPolarHBondContact O-CG 3.46Å; E99-L103 PolarHBondContact O-N 3.39Å; L100-L103 PolarHBondContact O-N 2.85Å; F101-L103 PolarHBondContact O-N 3.3Å; L103-N105 VanDerWaalsContact C-N 3.31Å; L103-N105 PolarHBondContact O-N 3.36Å; L103-S106 PolarHBondContact O-N 2.96Å; L103-S106 VanDerWaalsContact O-N 3.07Å; L103-S106 PolarHBondContact O-OG 3.04Å; L103-L107 WeakPolarHBondContact O-CG 3.49Å; L103-L107 PolarHBondContact O-N 3.01Å
104K86.4Confident85.8Confident82 Ų8270 Ų7036%0.35735%0.348SS..Hα-helixtrans-56.4-44.8176.8-177.1169.5171.9168.50111.6V76 S77 L80 L100 F101 S106 L107V76-K104 HydrophobicContact CG1-CB 3.82Å; S77-K104 VanDerWaalsContact OG-CE 3.22Å; S77-K104 WeakPolarHBondContact OG-CE 3.49Å; S77-K104 PolarHBondContact OG-NZ 3.03Å; L80-K104 HydrophobicContact CD1-CB 4.25Å; L80-K104 HydrophobicContact CD1-CD 3.58Å; L100-K104 WeakPolarHBondContact O-CB 3.35Å; L100-K104 PolarHBondContact O-N 3.23Å; F101-K104 WeakPolarHBondContact O-CB 3.23Å; F101-K104 PolarHBondContact O-N 2.92Å; K104-S106 PolarHBondContact O-N 3.46Å; K104-L107 PolarHBondContact O-N 3.3Å; K104-L107 VanDerWaalsContact O-N 3.12Å
105N85.3Confident85.6Confident109 Ų10969.1 Ų69.158%0.58335%0.348SS*.Hα-helixtrans-66.4-23.5179.1-66-25.6000113.4F101 T102 L103F101-N105 WeakPolarHBondContact CD1-ND2 3.48Å; F101-N105 WeakPolarHBondContact CE1-ND2 3.29Å; F101-N105 PolarHBondContact O-N 3.09Å; F101-N105 VanDerWaalsContact O-N 3.09Å; F101-N105 PolarHBondContact O-ND2 3.16Å; T102-N105 PolarHBondContact O-N 3.26Å; L103-N105 VanDerWaalsContact C-N 3.31Å; L103-N105 PolarHBondContact O-N 3.36Å
106S82.3Confident85.5Confident61 Ų6170 Ų7043%0.42736%0.355SS..Hα-helixtrans-84.6-13.3175.880.20000113.9R69 T102 L103 K104R69-S106 PolarHBondContact NH2-O 3.48Å; T102-S106 PolarHBondContact O-N 3.08Å; L103-S106 PolarHBondContact O-N 2.96Å; L103-S106 VanDerWaalsContact O-N 3.07Å; L103-S106 PolarHBondContact O-OG 3.04Å; K104-S106 PolarHBondContact O-N 3.46Å
107L81.4Confident85.3Confident19 Ų1974.4 Ų74.410%0.09938%0.378CS..SBendtrans-93.7148-179.9-69.8168000110.2R69 L72 V76 L103 K104R69-L107 HydrophobicContact CB-CD2 4.15Å; R69-L107 HydrophobicContact CG-CD2 4.13Å; L72-L107 HydrophobicContact CB-CD1 4.35Å; V76-L107 HydrophobicContact CG2-CD1 4.17Å; L103-L107 WeakPolarHBondContact O-CG 3.49Å; L103-L107 PolarHBondContact O-N 3.01Å; K104-L107 PolarHBondContact O-N 3.3Å; K104-L107 VanDerWaalsContact O-N 3.12Å
108P79.9Confident85.1Confident49 Ų4977.6 Ų77.632%0.31839%0.39SS..  trans-62.4153.8173.629.4-34.8000109.9R69 S73 G110R69-P108 HydrophobicContact CB-CG 4.04Å; S73-P108 WeakPolarHBondContact CB-O 3.44Å; S73-P108 PolarHBondContact OG-O 3.48Å; P108-G110 VanDerWaalsContact C-N 3.29Å; P108-G110 PolarHBondContact O-N 3.49Å
109D77.2Confident85.2Confident113 Ų11376.6 Ų76.660%0.60439%0.388SS*.  trans-66.592.3169.8-17711.5000109.9L111D109-L111 PolarHBondContact O-N 2.69Å; D109-L111 VanDerWaalsContact OD1-CB 3.31Å; D109-L111 WeakPolarHBondContact OD1-CB 3.34Å; D109-L111 PolarHBondContact OD1-N 3.07Å; D109-L111 VanDerWaalsContact OD1-N 3.1Å
110G73.1Confident85.4Confident2 Ų279.8 Ų79.82%0.02141%0.406CS..Hα-helixtrans-71.7-17.8178.700000113.3S73 P108 K112 K113 L114S73-G110 WeakPolarHBondContact OG-CA 3.4Å; S73-G110 PolarHBondContact OG-N 3.34Å; P108-G110 VanDerWaalsContact C-N 3.29Å; P108-G110 PolarHBondContact O-N 3.49Å; G110-K112 PolarHBondContact O-N 2.87Å; G110-K113 PolarHBondContact O-N 3.29Å; G110-L114 WeakPolarHBondContact O-CB 3.49Å; G110-L114 PolarHBondContact O-N 3.38Å
111L78.1Confident85.4Confident88 Ų8882.8 Ų82.846%0.46143%0.434SS..Hα-helixtrans-63.4-43.6-177.8-72.5170.1000111.3D109 K113 L114 K115D109-L111 PolarHBondContact O-N 2.69Å; D109-L111 VanDerWaalsContact OD1-CB 3.31Å; D109-L111 WeakPolarHBondContact OD1-CB 3.34Å; D109-L111 PolarHBondContact OD1-N 3.07Å; D109-L111 VanDerWaalsContact OD1-N 3.1Å; L111-K113 PolarHBondContact O-N 3.25Å; L111-L114 PolarHBondContact O-N 3.38Å; L111-K115 VanDerWaalsContact O-CB 3.25Å; L111-K115 WeakPolarHBondContact O-CB 3.42Å; L111-K115 PolarHBondContact O-N 2.9Å
112K82.9Confident85.6Confident140 Ų14083.9 Ų83.961%0.60944%0.439SS*.Hα-helixtrans-58.9-49.9177.6-174.7180178-178.30111.2G110 L114 K115 D116G110-K112 PolarHBondContact O-N 2.87Å; K112-L114 PolarHBondContact O-N 3.49Å; K112-K115 WeakPolarHBondContact O-CB 3.44Å; K112-K115 PolarHBondContact O-N 3.12Å; K112-D116 PolarHBondContact O-N 3.09Å
113K83.4Confident85.9Confident101 Ų10183.9 Ų83.944%0.43944%0.435SS..Hα-helixtrans-65.5-40.1-178.8-68.3-174175.8-172.60112.4I70 G110 L111 K115 D116 I117I70-K113 HydrophobicContact CD1-CB 4.19Å; I70-K113 HydrophobicContact CD1-CD 3.24Å; I70-K113 HydrophobicContact CD1-CG 4.36Å; I70-K113 HydrophobicContact CG1-CD 3.83Å; I70-K113 HydrophobicContact CG2-CB 4.4Å; G110-K113 PolarHBondContact O-N 3.29Å; L111-K113 PolarHBondContact O-N 3.25Å; K113-K115 VanDerWaalsContact C-N 3.34Å; K113-D116 PolarHBondContact O-N 3.36Å; K113-I117 WeakPolarHBondContact O-CG1 3.5Å; K113-I117 PolarHBondContact O-N 3.29Å; K113-I117 VanDerWaalsContact O-N 3.09Å
114L83.1Confident86.3Confident58 Ų5888.1 Ų88.130%0.30445%0.454SS..Hα-helixtrans-62.8-44174.8-170.488.4000110.8G110 L111 K112 I117 M118G110-L114 WeakPolarHBondContact O-CB 3.49Å; G110-L114 PolarHBondContact O-N 3.38Å; L111-L114 PolarHBondContact O-N 3.38Å; K112-L114 PolarHBondContact O-N 3.49Å; L114-I117 PolarHBondContact O-N 3.34Å; L114-M118 HydrophobicContact CD2-SD 4.36Å; L114-M118 WeakPolarHBondContact O-CG 3.49Å; L114-M118 PolarHBondContact O-N 3.31Å
115K87.6Confident86.7Confident130 Ų13089.6 Ų89.657%0.56546%0.463SS*.Hα-helixtrans-60.3-46.8176.7-177.1-179.6177.9-179.90111.3L111 K112 K113 I117 M118 D119L111-K115 VanDerWaalsContact O-CB 3.25Å; L111-K115 WeakPolarHBondContact O-CB 3.42Å; L111-K115 PolarHBondContact O-N 2.9Å; K112-K115 WeakPolarHBondContact O-CB 3.44Å; K112-K115 PolarHBondContact O-N 3.12Å; K113-K115 VanDerWaalsContact C-N 3.34Å; K115-I117 VanDerWaalsContact C-N 3.28Å; K115-I117 PolarHBondContact O-N 3.35Å; K115-M118 PolarHBondContact O-N 3.46Å; K115-M118 VanDerWaalsContact O-N 3.12Å; K115-D119 WeakPolarHBondContact O-CB 3.43Å; K115-D119 VanDerWaalsContact O-CG 3.28Å; K115-D119 PolarHBondContact O-N 3.1Å
116D89.8Confident87.2Confident77 Ų7789.1 Ų89.141%0.41247%0.469SS..Hα-helixtrans-56.8-43.6176.7-64.2-22.9000110.7K112 K113 D119 L120K112-D116 PolarHBondContact O-N 3.09Å; K113-D116 PolarHBondContact O-N 3.36Å; D116-D119 PolarHBondContact O-N 3.24Å; D116-L120 WeakPolarHBondContact O-CB 3.27Å; D116-L120 VanDerWaalsContact O-CG 3.24Å; D116-L120 WeakPolarHBondContact O-CG 3.42Å; D116-L120 PolarHBondContact O-N 3.42Å
117I88.9Confident87.9Confident102 Ų10289.4 Ų89.452%0.52347%0.465SS..Hα-helixtrans-63.6-44.4175.7-66.7165.5000111.8K113 L114 K115 D119 L120 A121K113-I117 WeakPolarHBondContact O-CG1 3.5Å; K113-I117 PolarHBondContact O-N 3.29Å; K113-I117 VanDerWaalsContact O-N 3.09Å; L114-I117 PolarHBondContact O-N 3.34Å; K115-I117 VanDerWaalsContact C-N 3.28Å; K115-I117 PolarHBondContact O-N 3.35Å; I117-D119 VanDerWaalsContact C-N 3.34Å; I117-L120 PolarHBondContact O-N 3.28Å; I117-A121 WeakPolarHBondContact O-CB 3.18Å; I117-A121 PolarHBondContact O-N 3Å
118M89.5Confident88.7Confident96 Ų9693 Ų9347%0.47348%0.484SS..Hα-helixtrans-65.1-38.9178.5-71.5-177.376.900112.2L114 K115 A121 K122L114-M118 HydrophobicContact CD2-SD 4.36Å; L114-M118 WeakPolarHBondContact O-CG 3.49Å; L114-M118 PolarHBondContact O-N 3.31Å; K115-M118 PolarHBondContact O-N 3.46Å; K115-M118 VanDerWaalsContact O-N 3.12Å; M118-A121 PolarHBondContact O-N 3.21Å; M118-K122 VanDerWaalsContact O-CG 3.25Å; M118-K122 WeakPolarHBondContact O-CG 3.45Å; M118-K122 PolarHBondContact O-N 3.03Å; M118-K122 VanDerWaalsContact O-N 3.14Å
119D93.8Very high89.5Confident71 Ų7197.3 Ų97.338%0.3850%0.498SS..Hα-helixtrans-68.7-39.4178.8-70.7-14.8000110.4K115 D116 I117 K122 L123K115-D119 WeakPolarHBondContact O-CB 3.43Å; K115-D119 VanDerWaalsContact O-CG 3.28Å; K115-D119 PolarHBondContact O-N 3.1Å; D116-D119 PolarHBondContact O-N 3.24Å; I117-D119 VanDerWaalsContact C-N 3.34Å; D119-K122 PolarHBondContact O-N 3.37Å; D119-L123 PolarHBondContact O-N 3.43Å
120L93.5Very high90.4Very high116 Ų11693.8 Ų93.861%0.60748%0.478SS*.Hα-helixtrans-60.4-44.4170.6-72.2172.8000112.1D116 I117 K122 L123D116-L120 WeakPolarHBondContact O-CB 3.27Å; D116-L120 VanDerWaalsContact O-CG 3.24Å; D116-L120 WeakPolarHBondContact O-CG 3.42Å; D116-L120 PolarHBondContact O-N 3.42Å; I117-L120 PolarHBondContact O-N 3.28Å; L120-K122 PolarHBondContact O-N 3.2Å; L120-L123 HydrophobicContact CD2-CD1 3.9Å; L120-L123 WeakPolarHBondContact O-CB 3.26Å; L120-L123 WeakPolarHBondContact O-CG 3.47Å; L120-L123 PolarHBondContact O-N 2.92Å
121A92.2Very high91.6Very high85 Ų8597.5 Ų97.570%0.70250%0.495SS*.Hα-helixtrans-65.3-23.4179.200000113.4I117 M118I117-A121 WeakPolarHBondContact O-CB 3.18Å; I117-A121 PolarHBondContact O-N 3Å; M118-A121 PolarHBondContact O-N 3.21Å
122K94.6Very high92.5Very high139 Ų139101.8 Ų101.860%0.60451%0.505SS*.THydrogen-bonded Turntrans-87.5-5.2177.8-70.9168.5-173.5172.70113.7M118 D119 L120 Q124M118-K122 VanDerWaalsContact O-CG 3.25Å; M118-K122 WeakPolarHBondContact O-CG 3.45Å; M118-K122 PolarHBondContact O-N 3.03Å; M118-K122 VanDerWaalsContact O-N 3.14Å; D119-K122 PolarHBondContact O-N 3.37Å; L120-K122 PolarHBondContact O-N 3.2Å; K122-Q124 PolarHBondContact O-N 3.09Å
123L94.8Very high93.2Very high84 Ų84100.9 Ų100.944%0.4450%0.501SS..  trans-61.6125.7179.9-71.6174.6000110.8D119 L120 M125 I130D119-L123 PolarHBondContact O-N 3.43Å; L120-L123 HydrophobicContact CD2-CD1 3.9Å; L120-L123 WeakPolarHBondContact O-CB 3.26Å; L120-L123 WeakPolarHBondContact O-CG 3.47Å; L120-L123 PolarHBondContact O-N 2.92Å; L123-M125 PolarHBondContact O-N 3.33Å; L123-I130 HydrophobicContact CD2-CD1 4.29Å
124Q94.6Very high93.9Very high129 Ų12998.1 Ų98.160%0.60350%0.497SS*.  trans-79.689.5175-65.2-171-3.400109.6K122 S126 D127 I130K122-Q124 PolarHBondContact O-N 3.09Å; Q124-S126 PolarHBondContact O-N 3.38Å; Q124-D127 HydrophobicContact CB-CB 4.33Å; Q124-D127 WeakPolarHBondContact O-CB 3.37Å; Q124-D127 PolarHBondContact O-N 3.44Å; Q124-I130 HydrophobicContact CB-CD1 4.3Å
125M94Very high94.6Very high112 Ų112100.3 Ų100.355%0.55251%0.513SS*.THydrogen-bonded Turntrans-66.2-4.8179.6-68.5-60.1-71.700114L123 I130 Q131 A134L123-M125 PolarHBondContact O-N 3.33Å; M125-I130 HydrophobicContact SD-CG2 3.98Å; M125-Q131 VanDerWaalsContact O-CG 3.25Å; M125-Q131 WeakPolarHBondContact O-CG 3.31Å; M125-Q131 PolarHBondContact O-NE2 3.21Å; M125-A134 HydrophobicContact CE-CB 4.37Å
126S95.4Very high95Very high100 Ų100100.7 Ų100.770%0.69952%0.521SS*.THydrogen-bonded Turntrans-82.4-18.9167.654.30000113.7Q124 L128Q124-S126 PolarHBondContact O-N 3.38Å; S126-L128 PolarHBondContact O-N 3.5Å
127D97.7Very high95.4Very high66 Ų66102.3 Ų102.335%0.35353%0.526SS..  trans-72.2119.5176.7-178.3-20.2000109.8Q124 K129 I130 Q131Q124-D127 HydrophobicContact CB-CB 4.33Å; Q124-D127 WeakPolarHBondContact O-CB 3.37Å; Q124-D127 PolarHBondContact O-N 3.44Å; D127-K129 PolarHBondContact O-N 2.79Å; D127-K129 VanDerWaalsContact OD1-CB 3.29Å; D127-K129 WeakPolarHBondContact OD1-CB 3.49Å; D127-K129 PolarHBondContact OD1-N 3.5Å; D127-I130 HydrophobicContact CB-CB 4.16Å; D127-I130 HydrophobicContact CB-CD1 3.97Å; D127-I130 HydrophobicContact CB-CG1 3.97Å; D127-I130 WeakPolarHBondContact O-CB 3.49Å; D127-I130 PolarHBondContact O-N 3.21Å; D127-Q131 WeakPolarHBondContact O-CG 3.4Å; D127-Q131 PolarHBondContact O-N 2.93Å
128L97.6Very high95.8Very high95 Ų95101.8 Ų101.850%0.49752%0.524SS..Hα-helixtrans-60.1-29.5-178.3-167.7129.6000113.2S126 R132S126-L128 PolarHBondContact O-N 3.5Å; L128-R132 VanDerWaalsContact CD2-NE 3.28Å; L128-R132 WeakPolarHBondContact O-CB 3.4Å; L128-R132 VanDerWaalsContact O-CG 3.25Å; L128-R132 WeakPolarHBondContact O-CG 3.16Å; L128-R132 PolarHBondContact O-N 3.41Å
129K97.6Very high96Very high140 Ų140104.6 Ų104.661%0.60953%0.534SS*.Hα-helixtrans-70.5-40.3174.1-173.1179.1-178.4179.10111.4D127 K133D127-K129 PolarHBondContact O-N 2.79Å; D127-K129 VanDerWaalsContact OD1-CB 3.29Å; D127-K129 WeakPolarHBondContact OD1-CB 3.49Å; D127-K129 PolarHBondContact OD1-N 3.5Å; K129-K133 WeakPolarHBondContact O-CG 3.42Å; K129-K133 PolarHBondContact O-N 3.19Å
130I96.8Very high96Very high38 Ų38104.5 Ų104.520%0.19554%0.539CS..Hα-helixtrans-66.8-44.8176.4-64.5-179000109.6L123 Q124 M125 D127 R132 K133 A134L123-I130 HydrophobicContact CD2-CD1 4.29Å; Q124-I130 HydrophobicContact CB-CD1 4.3Å; M125-I130 HydrophobicContact SD-CG2 3.98Å; D127-I130 HydrophobicContact CB-CB 4.16Å; D127-I130 HydrophobicContact CB-CD1 3.97Å; D127-I130 HydrophobicContact CB-CG1 3.97Å; D127-I130 WeakPolarHBondContact O-CB 3.49Å; D127-I130 PolarHBondContact O-N 3.21Å; I130-R132 PolarHBondContact O-N 2.99Å; I130-K133 WeakPolarHBondContact O-CB 3.35Å; I130-K133 PolarHBondContact O-N 2.97Å; I130-A134 WeakPolarHBondContact O-CB 3.46Å; I130-A134 PolarHBondContact O-N 3.12Å
131Q97.6Very high96Very high80 Ų80102.7 Ų102.737%0.37453%0.532SS..Hα-helixtrans-57-48.6176.2-69.5174.4-2.900112.3M125 D127 K133 A134 V135M125-Q131 VanDerWaalsContact O-CG 3.25Å; M125-Q131 WeakPolarHBondContact O-CG 3.31Å; M125-Q131 PolarHBondContact O-NE2 3.21Å; D127-Q131 WeakPolarHBondContact O-CG 3.4Å; D127-Q131 PolarHBondContact O-N 2.93Å; Q131-K133 VanDerWaalsContact C-N 3.28Å; Q131-K133 PolarHBondContact O-N 2.98Å; Q131-A134 PolarHBondContact O-N 2.91Å; Q131-V135 WeakPolarHBondContact O-CG2 3.5Å; Q131-V135 PolarHBondContact O-N 3.49Å
132R98Very high96Very high179 Ų179103 Ų10368%0.67552%0.522SS*.Hα-helixtrans-57.7-41.1177.6-75.8172.7178.1178.90.7112.1L128 I130 N136L128-R132 VanDerWaalsContact CD2-NE 3.28Å; L128-R132 WeakPolarHBondContact O-CB 3.4Å; L128-R132 VanDerWaalsContact O-CG 3.25Å; L128-R132 WeakPolarHBondContact O-CG 3.16Å; L128-R132 PolarHBondContact O-N 3.41Å; I130-R132 PolarHBondContact O-N 2.99Å; R132-N136 WeakPolarHBondContact O-CB 3.3Å; R132-N136 PolarHBondContact O-N 3.49Å
133K97.6Very high95.9Very high120 Ų120100.6 Ų100.652%0.52251%0.513SS..Hα-helixtrans-66.1-47.6175.5-73-178.4171.6-165.80112.1K129 I130 Q131 V135 N136 E137K129-K133 WeakPolarHBondContact O-CG 3.42Å; K129-K133 PolarHBondContact O-N 3.19Å; I130-K133 WeakPolarHBondContact O-CB 3.35Å; I130-K133 PolarHBondContact O-N 2.97Å; Q131-K133 VanDerWaalsContact C-N 3.28Å; Q131-K133 PolarHBondContact O-N 2.98Å; K133-V135 VanDerWaalsContact C-N 3.3Å; K133-V135 PolarHBondContact O-N 2.87Å; K133-N136 WeakPolarHBondContact O-CB 3.36Å; K133-N136 PolarHBondContact O-N 2.92Å; K133-N136 VanDerWaalsContact O-N 3.11Å; K133-E137 PolarHBondContact O-N 3.3Å
134A96.8Very high95.7Very high43 Ų43101 Ų10136%0.35552%0.519SS..Hα-helixtrans-58.8-42.217900000111.8M125 I130 Q131 E137 L138M125-A134 HydrophobicContact CE-CB 4.37Å; I130-A134 WeakPolarHBondContact O-CB 3.46Å; I130-A134 PolarHBondContact O-N 3.12Å; Q131-A134 PolarHBondContact O-N 2.91Å; A134-E137 PolarHBondContact O-N 3.01Å; A134-L138 PolarHBondContact O-N 3.29Å
135V97.6Very high95.1Very high105 Ų105100.1 Ų100.164%0.63652%0.518SS*.Hα-helixtrans-66-40175.7173.40000111.6Q131 K133 E137 L138Q131-V135 WeakPolarHBondContact O-CG2 3.5Å; Q131-V135 PolarHBondContact O-N 3.49Å; K133-V135 VanDerWaalsContact C-N 3.3Å; K133-V135 PolarHBondContact O-N 2.87Å; V135-E137 VanDerWaalsContact C-N 3.28Å; V135-E137 PolarHBondContact O-N 3.06Å; V135-L138 WeakPolarHBondContact O-CB 3.36Å; V135-L138 PolarHBondContact O-N 3Å
136N97.8Very high94.6Very high138 Ų138100.7 Ų100.774%0.73853%0.527SS*.Hα-helixtrans-63.7-33177.4-175.673.2000112.8R132 K133R132-N136 WeakPolarHBondContact O-CB 3.3Å; R132-N136 PolarHBondContact O-N 3.49Å; K133-N136 WeakPolarHBondContact O-CB 3.36Å; K133-N136 PolarHBondContact O-N 2.92Å; K133-N136 VanDerWaalsContact O-N 3.11Å
137E97.1Very high93.7Very high110 Ų110101.9 Ų101.951%0.51452%0.522SS..Hα-helixtrans-92.2-8.8-179.8-67.2174.5-144.200113.4K133 A134 V135 F139 S140 V141K133-E137 PolarHBondContact O-N 3.3Å; A134-E137 PolarHBondContact O-N 3.01Å; V135-E137 VanDerWaalsContact C-N 3.28Å; V135-E137 PolarHBondContact O-N 3.06Å; E137-F139 VanDerWaalsContact C-N 3.33Å; E137-F139 PolarHBondContact O-N 3.49Å; E137-S140 PolarHBondContact O-N 3.18Å; E137-S140 VanDerWaalsContact O-N 3.13Å; E137-V141 WeakPolarHBondContact O-CG2 3.38Å; E137-V141 PolarHBondContact O-N 2.91Å; E137-V141 VanDerWaalsContact O-N 3.08Å
138L96.4Very high91.9Very high92 Ų92102.7 Ų102.748%0.48253%0.529SS..Hα-helixtrans-55.2-44.8-170.5179.959.5000113.1A134 V135 S140 V141 L142A134-L138 PolarHBondContact O-N 3.29Å; V135-L138 WeakPolarHBondContact O-CB 3.36Å; V135-L138 PolarHBondContact O-N 3Å; L138-S140 PolarHBondContact O-N 2.93Å; L138-V141 PolarHBondContact O-N 3.41Å; L138-L142 HydrophobicContact CD1-CD1 4.24Å; L138-L142 HydrophobicContact CD1-CG 4.2Å; L138-L142 HydrophobicContact CG-CD1 4.15Å; L138-L142 WeakPolarHBondContact O-CG 3.42Å; L138-L142 PolarHBondContact O-N 3.41Å
139F94.3Very high89.8Confident154 Ų154103.7 Ų103.768%0.67554%0.541SS*.Hα-helixtrans-61.3-46.1-179.3-177.3-98.2000111.9E137 V141 L142 Q143E137-F139 VanDerWaalsContact C-N 3.33Å; E137-F139 PolarHBondContact O-N 3.49Å; F139-V141 VanDerWaalsContact C-N 3.33Å; F139-V141 PolarHBondContact O-N 3.44Å; F139-L142 PolarHBondContact O-N 2.96Å; F139-Q143 PolarHBondContact O-N 3Å
140S94.1Very high87.6Confident69 Ų69103.7 Ų103.748%0.48355%0.553SS.*Hα-helixtrans-63.6-37.8178.5-55.10000112.2E137 L138 Q143 T144E137-S140 PolarHBondContact O-N 3.18Å; E137-S140 VanDerWaalsContact O-N 3.13Å; L138-S140 PolarHBondContact O-N 2.93Å; S140-Q143 PolarHBondContact O-N 3.39Å; S140-T144 PolarHBondContact O-N 3.03Å; S140-T144 PolarHBondContact O-OG1 3.28Å
141V93.8Very high85.3Confident78 Ų78105.1 Ų105.147%0.47357%0.567SS.*Hα-helixtrans-63.5-47.3174.7174.30000110.7E137 L138 F139 Q143 T144 L145E137-V141 WeakPolarHBondContact O-CG2 3.38Å; E137-V141 PolarHBondContact O-N 2.91Å; E137-V141 VanDerWaalsContact O-N 3.08Å; L138-V141 PolarHBondContact O-N 3.41Å; F139-V141 VanDerWaalsContact C-N 3.33Å; F139-V141 PolarHBondContact O-N 3.44Å; V141-Q143 VanDerWaalsContact C-N 3.33Å; V141-Q143 PolarHBondContact O-N 3.29Å; V141-T144 PolarHBondContact O-N 3.06Å; V141-L145 PolarHBondContact O-N 3.24Å; V141-L145 VanDerWaalsContact O-N 3.14Å
142L92.8Very high82.9Confident92 Ų92111.1 Ų111.148%0.48259%0.592SS.*Hα-helixtrans-62.3-39.8177.5-68176.2000112L138 F139 L145 V146L138-L142 HydrophobicContact CD1-CD1 4.24Å; L138-L142 HydrophobicContact CD1-CG 4.2Å; L138-L142 HydrophobicContact CG-CD1 4.15Å; L138-L142 WeakPolarHBondContact O-CG 3.42Å; L138-L142 PolarHBondContact O-N 3.41Å; F139-L142 PolarHBondContact O-N 2.96Å; L142-L145 HydrophobicContact CD2-CD1 4.36Å; L142-L145 PolarHBondContact O-N 3.21Å; L142-V146 PolarHBondContact O-N 3.35Å
143Q92.3Very high80.6Confident89 Ų89111.2 Ų111.242%0.41660%0.597SS.*Hα-helixtrans-61.8-44.3175.4-176.5175.50.600111.6F139 S140 V141 L145 V146 E147F139-Q143 PolarHBondContact O-N 3Å; S140-Q143 PolarHBondContact O-N 3.39Å; V141-Q143 VanDerWaalsContact C-N 3.33Å; V141-Q143 PolarHBondContact O-N 3.29Å; Q143-L145 VanDerWaalsContact C-N 3.27Å; Q143-L145 PolarHBondContact O-N 3.13Å; Q143-V146 PolarHBondContact O-N 3.25Å; Q143-V146 VanDerWaalsContact O-N 3.13Å; Q143-E147 HydrophobicContact CG-CG 4.36Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.45Å; Q143-E147 PolarHBondContact NE2-OE1 3.48Å; Q143-E147 WeakPolarHBondContact O-CG 3.21Å; Q143-E147 PolarHBondContact O-N 3.28Å
144T89.3Confident78.5Confident92 Ų92116.8 Ų116.856%0.56462%0.615SS**Hα-helixtrans-61.4-35.5178.7-54.50000112.1S140 V141 E147 T148S140-T144 PolarHBondContact O-N 3.03Å; S140-T144 PolarHBondContact O-OG1 3.28Å; V141-T144 PolarHBondContact O-N 3.06Å; T144-E147 PolarHBondContact O-N 3Å; T144-T148 PolarHBondContact O-N 2.72Å
145L83Confident76.3Confident110 Ų110124.4 Ų124.458%0.57664%0.64SS**Hα-helixtrans-64.1-42.3175.5-70.4171.8000111.8V141 L142 Q143 T148V141-L145 PolarHBondContact O-N 3.24Å; V141-L145 VanDerWaalsContact O-N 3.14Å; L142-L145 HydrophobicContact CD2-CD1 4.36Å; L142-L145 PolarHBondContact O-N 3.21Å; Q143-L145 VanDerWaalsContact C-N 3.27Å; Q143-L145 PolarHBondContact O-N 3.13Å; L145-T148 PolarHBondContact O-OG1 3.48Å
146V84Confident74.2Confident125 Ų125130.3 Ų130.376%0.75865%0.651SS**Hα-helixtrans-71.3-33.9179.3177.70000111.8L142 Q143 T148L142-V146 PolarHBondContact O-N 3.35Å; Q143-V146 PolarHBondContact O-N 3.25Å; Q143-V146 VanDerWaalsContact O-N 3.13Å; V146-T148 PolarHBondContact O-N 2.95Å
147E75.8Confident72.4Confident125 Ų125128.9 Ų128.958%0.58465%0.652SS**THydrogen-bonded Turntrans-77.7-2.2-180-72.1-179.4-173.500114.2Q143 T144Q143-E147 HydrophobicContact CG-CG 4.36Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.45Å; Q143-E147 PolarHBondContact NE2-OE1 3.48Å; Q143-E147 WeakPolarHBondContact O-CG 3.21Å; Q143-E147 PolarHBondContact O-N 3.28Å; T144-E147 PolarHBondContact O-N 3Å
148T59.6Low70.5Confident83 Ų83132.1 Ų132.151%0.50967%0.667SS.*SBendtrans-53.3126.7176.739.70000110.8T144 L145 V146 T150T144-T148 PolarHBondContact O-N 2.72Å; L145-T148 PolarHBondContact O-OG1 3.48Å; V146-T148 PolarHBondContact O-N 2.95Å; T148-T150 VanDerWaalsContact C-N 3.29Å; T148-T150 PolarHBondContact O-N 3.2Å
149P54.1Low68.5Low115 Ų115132.2 Ų132.275%0.74768%0.675SS**  trans-78.876.6-165.231.3-34.8000110.9S151P149-S151 PolarHBondContact O-N 3.06Å
150T50.6Low66.7Low140 Ų140132.8 Ų132.886%0.85968%0.68SS**  trans-75.810.3165.447.50000112.8T148T148-T150 VanDerWaalsContact C-N 3.29Å; T148-T150 PolarHBondContact O-N 3.2Å
151S48.5Very low64.9Low68 Ų68140.3 Ų140.348%0.47670%0.698SS.*  trans-143.1108.4168.961.90000111.3P149 K153P149-S151 PolarHBondContact O-N 3.06Å; S151-K153 PolarHBondContact O-N 2.94Å
152F47.5Very low63Low206 Ų206147.3 Ų147.390%0.90472%0.716SS**  trans-55.378.9139.1-68.1-88.3000106.9R154F152-R154 PolarHBondContact O-N 3.02Å
153K50Low61.1Low181 Ų181148.5 Ų148.579%0.78773%0.73SS**  trans-60.592.4163.5-87.8-179-176.9177.80104.6S151 K155S151-K153 PolarHBondContact O-N 2.94Å; K153-K155 PolarHBondContact O-N 2.69Å
154R53.3Low58.9Low237 Ų237154.1 Ų154.189%0.89475%0.753SS**  trans-46.8109.8169.6-80.2179.8178.7157.5-0.5105.4F152 R156F152-R154 PolarHBondContact O-N 3.02Å; R154-R156 VanDerWaalsContact C-N 3.26Å; R154-R156 PolarHBondContact O-N 2.96Å
155K51Low57Low203 Ų203159.1 Ų159.188%0.88379%0.79SS**  trans-60.399.7168.4-150.3177.8-171.3-179.60104.1K153 S157K153-K155 PolarHBondContact O-N 2.69Å; K155-S157 PolarHBondContact O-N 3.37Å
156R53.8Low55.7Low229 Ų229161.6 Ų161.686%0.86480%0.801SS**  trans-58.3104.5178.9-169175.5-170.2164.52105.1R154 Q158R154-R156 VanDerWaalsContact C-N 3.26Å; R154-R156 PolarHBondContact O-N 2.96Å; R156-Q158 VanDerWaalsContact C-N 3.27Å; R156-Q158 PolarHBondContact O-N 3.38Å
157S58.5Low54.2Low108 Ų108163.5 Ų163.576%0.75580%0.803SS**  trans-64.696.8174.460.30000106K155 S159K155-S157 PolarHBondContact O-N 3.37Å; S157-S159 PolarHBondContact O-N 3.35Å
158Q58.6Low53Low179 Ų179165.7 Ų165.784%0.83682%0.815SS**  trans-64.594.8162.5-80.9-174.8-12.500105.5R156 Q160R156-Q158 VanDerWaalsContact C-N 3.27Å; R156-Q158 PolarHBondContact O-N 3.38Å; Q158-Q160 PolarHBondContact O-N 2.94Å
159S53.7Low52.6Low93 Ų93170.5 Ų170.565%0.6583%0.833SS**  trans-61.2105.5160.859.40000105.8S157 R161S157-S159 PolarHBondContact O-N 3.35Å; S159-R161 VanDerWaalsContact C-N 3.26Å; S159-R161 PolarHBondContact O-N 3.46Å
160Q56.5Low52.5Low167 Ų167174 Ų17478%0.7884%0.839SS**  trans-60.198.6161.7-82.4179.1-21.800106.3Q158 R162Q158-Q160 PolarHBondContact O-N 2.94Å; Q160-R162 PolarHBondContact O-N 2.63Å
161R57.1Low52.6Low227 Ų227176.3 Ų176.386%0.85784%0.837SS**  trans-63.295.2162.2-75-174.5176.9-175-1.2105.6S159 C163S159-R161 VanDerWaalsContact C-N 3.26Å; S159-R161 PolarHBondContact O-N 3.46Å; R161-C163 PolarHBondContact O-N 2.79Å
162R52.9Low52.9Low224 Ų224184 Ų18485%0.84586%0.863SS**  trans-63.9105164.3-75.3-172.9176.2-170.6-1.2106.5Q160 K164Q160-R162 PolarHBondContact O-N 2.63Å; R162-K164 PolarHBondContact O-N 3.32Å
163C52.4Low53.3Low117 Ų117182.3 Ų182.379%0.79186%0.86SS**  trans-57.5124.6161.3-67.20000107.4R161R161-C163 PolarHBondContact O-N 2.79Å
164K47.7Very low53.6Low207 Ų207182.4 Ų182.490%0.987%0.866SS**  trans-81.5114.1164.1-75.2-178.8173.7-177.50106.4R162R162-K164 PolarHBondContact O-N 3.32Å
165C48.1Very low53.7Low198 Ų198177.5 Ų177.5100%1.33886%0.864SS**  trans-91.60153.8-62.70000107.4

Retrieved 165 of 165 residues in 133.2 ms (Link to these results)