A0A3Q0KCF5_SCHMA Loading...

Putative ankyrin repeat and mynd domain containing

AlphaFold DB , UniProt , Accession A0A3Q0KCF5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 393 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
1M31.1Very low56.5Low243 Ų243129.7 Ų129.7100%1.19769%0.692SS**  0109.90-70.8-175.7-85.200106
2C33.8Very low59.2Low105 Ų105123.6 Ų123.671%0.70966%0.658SS**  cis-136.5118.524.5-153.10000106.7C4C2-C4 PolarHBondContact O-N 3.16Å; C2-C4 PolarHBondContact SG-SG 3.42Å
3Y39.6Very low61.7Low224 Ų224116.4 Ų116.488%0.87862%0.62SS**  trans-76.165.2164.1-71.3-86.9000106.9T5Y3-T5 PolarHBondContact O-N 3.35Å
4C45.2Very low63.9Low89 Ų89114 Ų11460%0.60161%0.607SS**  trans-62.996.8156.6-72.10000103.7C2 L6C2-C4 PolarHBondContact O-N 3.16Å; C2-C4 PolarHBondContact SG-SG 3.42Å; C4-L6 PolarHBondContact O-N 3.12Å
5T48.3Very low66Low124 Ų124108.5 Ų108.576%0.76158%0.581SS**  trans-5882.5162.348.30000105.5Y3 K7Y3-T5 PolarHBondContact O-N 3.35Å; T5-K7 PolarHBondContact O-N 3.22Å
6L49Very low67.8Low158 Ų158101.8 Ų101.883%0.82755%0.545SS*.  trans-55.699.9161-74165000102.8C4 S8C4-L6 PolarHBondContact O-N 3.12Å; L6-S8 PolarHBondContact O-N 3.46Å
7K56.8Low69.5Low151 Ų15197.5 Ų97.566%0.65752%0.52SS*.  trans-45.4123.5167-79.8179.7178.6173.90104.7T5 D11 I12T5-K7 PolarHBondContact O-N 3.22Å; K7-D11 HydrophobicContact CB-CB 4.19Å; K7-I12 HydrophobicContact CB-CG1 4.09Å
8S71.2Confident71Confident51 Ų5196.4 Ų96.436%0.35752%0.517SS..  trans-56150.6-17966.60000107.8L6 E10 D11 I12L6-S8 PolarHBondContact O-N 3.46Å; S8-E10 PolarHBondContact O-N 3.29Å; S8-D11 WeakPolarHBondContact CB-OD2 3.36Å; S8-D11 PolarHBondContact N-OD2 2.98Å; S8-D11 WeakPolarHBondContact O-CB 2.99Å; S8-D11 PolarHBondContact O-N 3.46Å; S8-D11 PolarHBondContact OG-N 3.13Å; S8-D11 PolarHBondContact OG-OD2 3.22Å; S8-I12 PolarHBondContact O-N 3.33Å
9S77.2Confident72.4Confident107 Ų10791.4 Ų91.475%0.74849%0.49SS*.Hα-helixtrans-54.1-29175.749.90000111.8L13S9-L13 WeakPolarHBondContact O-CB 3.47Å; S9-L13 PolarHBondContact O-N 3.44Å; S9-L13 VanDerWaalsContact O-N 3.14Å
10E82.6Confident73.7Confident91 Ų9186.8 Ų86.843%0.42547%0.466SS..Hα-helixtrans-66-42.9173.1-161.9166.3-168.800112.1S8 I12 L13 D14 K44S8-E10 PolarHBondContact O-N 3.29Å; E10-I12 VanDerWaalsContact C-N 3.33Å; E10-I12 PolarHBondContact O-N 3Å; E10-L13 PolarHBondContact O-N 3.25Å; E10-D14 WeakPolarHBondContact O-CB 3.42Å; E10-D14 PolarHBondContact O-N 3.37Å; E10-K44 WeakPolarHBondContact OE1-CE 3.47Å; E10-K44 IonicContact OE1-NZ 2.71Å; E10-K44 PolarHBondContact OE1-NZ 3Å
11D86.9Confident74.7Confident84 Ų8484 Ų8445%0.44945%0.453SS..Hα-helixtrans-62.4-38.2177-63-46.6000112.7K7 S8 S15K7-D11 HydrophobicContact CB-CB 4.19Å; S8-D11 WeakPolarHBondContact CB-OD2 3.36Å; S8-D11 PolarHBondContact N-OD2 2.98Å; S8-D11 WeakPolarHBondContact O-CB 2.99Å; S8-D11 PolarHBondContact O-N 3.46Å; S8-D11 PolarHBondContact OG-N 3.13Å; S8-D11 PolarHBondContact OG-OD2 3.22Å; D11-S15 VanDerWaalsContact O-CB 3.26Å; D11-S15 WeakPolarHBondContact O-CB 3.42Å; D11-S15 PolarHBondContact O-N 2.82Å
12I89.3Confident77.8Confident56 Ų5676.9 Ų76.929%0.28742%0.423SS..Hα-helixtrans-67.9-46.5177.7-62.1175.1000109.6K7 S8 E10 D14 S15 F16 L38K7-I12 HydrophobicContact CB-CG1 4.09Å; S8-I12 PolarHBondContact O-N 3.33Å; E10-I12 VanDerWaalsContact C-N 3.33Å; E10-I12 PolarHBondContact O-N 3Å; I12-D14 PolarHBondContact O-N 3.49Å; I12-S15 PolarHBondContact O-N 2.82Å; I12-F16 WeakPolarHBondContact O-CB 3.4Å; I12-F16 PolarHBondContact O-N 2.57Å; I12-L38 HydrophobicContact CG2-CD1 4.09Å; I12-L38 HydrophobicContact CG2-CD2 4.33Å
13L91.2Very high80.7Confident30 Ų3074 Ų7416%0.15740%0.404CS..Hα-helixtrans-60.4-44.2177.2-179.659000111.6S9 E10 F16 R17 L38 S41S9-L13 WeakPolarHBondContact O-CB 3.47Å; S9-L13 PolarHBondContact O-N 3.44Å; S9-L13 VanDerWaalsContact O-N 3.14Å; E10-L13 PolarHBondContact O-N 3.25Å; L13-F16 WeakPolarHBondContact O-CB 3.26Å; L13-F16 PolarHBondContact O-N 3.48Å; L13-R17 HydrophobicContact CD1-CG 4.22Å; L13-R17 WeakPolarHBondContact O-CB 3.26Å; L13-R17 WeakPolarHBondContact O-CG 3.48Å; L13-R17 PolarHBondContact O-N 3.41Å; L13-L38 HydrophobicContact CD1-CD2 4.27Å; L13-S41 VanDerWaalsContact CD1-OG 3.27Å; L13-S41 WeakPolarHBondContact CD1-OG 3.49Å
14D92.6Very high83.5Confident83 Ų8366.6 Ų66.644%0.44438%0.38SS..Hα-helixtrans-66.5-41.6178.3-80.5-11.6000112.2E10 I12 F16 R17 T18E10-D14 WeakPolarHBondContact O-CB 3.42Å; E10-D14 PolarHBondContact O-N 3.37Å; I12-D14 PolarHBondContact O-N 3.49Å; D14-F16 VanDerWaalsContact C-N 3.31Å; D14-F16 PolarHBondContact O-N 3.18Å; D14-R17 PolarHBondContact O-N 3.03Å; D14-T18 VanDerWaalsContact O-CB 3.3Å; D14-T18 WeakPolarHBondContact O-CB 3.43Å; D14-T18 PolarHBondContact O-N 2.95Å; D14-T18 PolarHBondContact O-OG1 3.03Å
15S94.5Very high86Confident32 Ų3264.7 Ų64.722%0.22436%0.363CS..Hα-helixtrans-60.6-41.6173.1174.40000111.6D11 I12 T18 A19 K27D11-S15 VanDerWaalsContact O-CB 3.26Å; D11-S15 WeakPolarHBondContact O-CB 3.42Å; D11-S15 PolarHBondContact O-N 2.82Å; I12-S15 PolarHBondContact O-N 2.82Å; S15-T18 PolarHBondContact O-N 3.34Å; S15-A19 PolarHBondContact O-N 3Å; S15-K27 VanDerWaalsContact OG-CE 3.24Å; S15-K27 WeakPolarHBondContact OG-CE 3.38Å; S15-K27 PolarHBondContact OG-NZ 3.4Å
16F96.2Very high88.3Confident0 Ų064.2 Ų64.20%035%0.352CS..Hα-helixtrans-64.7-47.5177.4-178.4-120.5000112.2I12 L13 D14 T18 A19 I20 V28 L31 L32 L38 P49 L65I12-F16 WeakPolarHBondContact O-CB 3.4Å; I12-F16 PolarHBondContact O-N 2.57Å; L13-F16 WeakPolarHBondContact O-CB 3.26Å; L13-F16 PolarHBondContact O-N 3.48Å; D14-F16 VanDerWaalsContact C-N 3.31Å; D14-F16 PolarHBondContact O-N 3.18Å; F16-T18 VanDerWaalsContact C-N 3.29Å; F16-T18 PolarHBondContact O-N 3.23Å; F16-A19 WeakPolarHBondContact O-CB 3.48Å; F16-A19 PolarHBondContact O-N 3.06Å; F16-A19 VanDerWaalsContact O-N 3.15Å; F16-I20 HydrophobicContact CD1-CD1 4.09Å; F16-I20 HydrophobicContact CE1-CD1 3.72Å; F16-I20 HydrophobicContact CE2-CD1 4.42Å; F16-I20 HydrophobicContact CZ-CD1 3.89Å; F16-I20 WeakPolarHBondContact O-CG1 3.33Å; F16-I20 PolarHBondContact O-N 3.01Å; F16-V28 HydrophobicContact CE2-CB 4.35Å; F16-V28 HydrophobicContact CE2-CG1 3.91Å; F16-V28 HydrophobicContact CE2-CG2 4.38Å; F16-V28 HydrophobicContact CZ-CG1 4.45Å; F16-L31 HydrophobicContact CB-CD1 3.95Å; F16-L31 HydrophobicContact CD2-CB 3.87Å; F16-L31 HydrophobicContact CD2-CD1 4Å; F16-L31 HydrophobicContact CG-CD1 4.5Å; F16-L32 HydrophobicContact CE2-CD1 3.87Å; F16-L32 HydrophobicContact CE2-CD2 4.32Å; F16-L32 HydrophobicContact CE2-CG 3.65Å; F16-L32 HydrophobicContact CZ-CD1 3.77Å; F16-L32 HydrophobicContact CZ-CD2 3.95Å; F16-L32 HydrophobicContact CZ-CG 3.72Å; F16-L38 HydrophobicContact CB-CD1 4.22Å; F16-L38 HydrophobicContact CD1-CB 3.92Å; F16-L38 HydrophobicContact CD1-CD1 4.38Å; F16-L38 HydrophobicContact CD1-CD2 4.34Å; F16-L38 HydrophobicContact CD1-CG 4.46Å; F16-L38 HydrophobicContact CD2-CD1 4.22Å; F16-L38 HydrophobicContact CE1-CB 3.84Å; F16-L38 HydrophobicContact CG-CB 4.38Å; F16-L38 HydrophobicContact CG-CD1 4.03Å; F16-L38 HydrophobicContact CZ-CB 4.25Å; F16-P49 HydrophobicContact CD1-CG 4.38Å; F16-P49 HydrophobicContact CE1-CB 3.86Å; F16-P49 HydrophobicContact CE1-CG 3.66Å; F16-P49 HydrophobicContact CZ-CB 4.49Å; F16-L65 HydrophobicContact CZ-CD2 4.27Å
17R96.4Very high90.7Very high30 Ų3060.6 Ų60.611%0.11333%0.33CS..Hα-helixtrans-65.1-33.7177.3-68.5170.764.9843.3112.6L13 D14 I20 S21 D43 L47 L52L13-R17 HydrophobicContact CD1-CG 4.22Å; L13-R17 WeakPolarHBondContact O-CB 3.26Å; L13-R17 WeakPolarHBondContact O-CG 3.48Å; L13-R17 PolarHBondContact O-N 3.41Å; D14-R17 PolarHBondContact O-N 3.03Å; R17-I20 PolarHBondContact O-N 2.81Å; R17-S21 WeakPolarHBondContact O-CB 3.3Å; R17-S21 PolarHBondContact O-N 3.44Å; R17-S21 PolarHBondContact O-OG 3.05Å; R17-D43 IonicContact CZ-OD2 2.7Å; R17-D43 IonicContact NH1-OD2 2.72Å; R17-D43 PolarHBondContact NH1-OD2 3.09Å; R17-D43 IonicContact NH2-OD2 2.81Å; R17-D43 PolarHBondContact NH2-OD2 3.1Å; R17-L47 PolarHBondContact NH1-O 3.27Å; R17-L52 HydrophobicContact CB-CD2 3.98Å; R17-L52 HydrophobicContact CG-CD2 4.3Å
18T96.7Very high92.6Very high77 Ų7753.4 Ų53.447%0.47230%0.299SS..Hα-helixtrans-65.2-43.1172.7-60.10000111D14 S15 F16 I20 S21 T22D14-T18 VanDerWaalsContact O-CB 3.3Å; D14-T18 WeakPolarHBondContact O-CB 3.43Å; D14-T18 PolarHBondContact O-N 2.95Å; D14-T18 PolarHBondContact O-OG1 3.03Å; S15-T18 PolarHBondContact O-N 3.34Å; F16-T18 VanDerWaalsContact C-N 3.29Å; F16-T18 PolarHBondContact O-N 3.23Å; T18-I20 PolarHBondContact O-N 3.26Å; T18-S21 PolarHBondContact O-N 3.26Å; T18-T22 HydrophobicContact CG2-CG2 4.37Å; T18-T22 WeakPolarHBondContact O-CB 3.3Å; T18-T22 WeakPolarHBondContact O-CG2 3.37Å; T18-T22 PolarHBondContact O-N 2.94Å; T18-T22 PolarHBondContact O-OG1 3.01Å
19A97.7Very high93.9Very high1 Ų154.4 Ų54.41%0.00830%0.297CS..Hα-helixtrans-60.2-43.5175.700000111.8S15 F16 T22 S23 D24 K27 V28S15-A19 PolarHBondContact O-N 3Å; F16-A19 WeakPolarHBondContact O-CB 3.48Å; F16-A19 PolarHBondContact O-N 3.06Å; F16-A19 VanDerWaalsContact O-N 3.15Å; A19-T22 PolarHBondContact O-N 3.08Å; A19-T22 PolarHBondContact O-OG1 3.21Å; A19-S23 PolarHBondContact O-N 2.9Å; A19-D24 HydrophobicContact CB-CB 4.33Å; A19-D24 PolarHBondContact O-N 3.1Å; A19-K27 HydrophobicContact CB-CB 4.02Å; A19-K27 HydrophobicContact CB-CD 3.94Å; A19-K27 HydrophobicContact CB-CG 3.86Å; A19-V28 HydrophobicContact CB-CG2 3.76Å
20I98Very high94.8Very high0 Ų051.9 Ų51.90%028%0.279CS..Hα-helixtrans-60-50173.8-67169.9000111F16 R17 T18 T22 S23 V28 P49 L52 A53 I61 L65F16-I20 HydrophobicContact CD1-CD1 4.09Å; F16-I20 HydrophobicContact CE1-CD1 3.72Å; F16-I20 HydrophobicContact CE2-CD1 4.42Å; F16-I20 HydrophobicContact CZ-CD1 3.89Å; F16-I20 WeakPolarHBondContact O-CG1 3.33Å; F16-I20 PolarHBondContact O-N 3.01Å; R17-I20 PolarHBondContact O-N 2.81Å; T18-I20 PolarHBondContact O-N 3.26Å; I20-T22 VanDerWaalsContact C-N 3.28Å; I20-T22 PolarHBondContact O-N 3.12Å; I20-S23 PolarHBondContact O-N 3.38Å; I20-S23 VanDerWaalsContact O-N 3.11Å; I20-V28 HydrophobicContact CG1-CG2 3.77Å; I20-P49 HydrophobicContact CD1-CB 3.59Å; I20-L52 HydrophobicContact CB-CD2 4.36Å; I20-L52 HydrophobicContact CG2-CB 4.48Å; I20-L52 HydrophobicContact CG2-CD2 4.1Å; I20-L52 HydrophobicContact CG2-CG 4.06Å; I20-A53 HydrophobicContact CG2-CB 3.77Å; I20-I61 HydrophobicContact CB-CG2 4.47Å; I20-I61 HydrophobicContact CG1-CG2 4.16Å; I20-I61 HydrophobicContact CG2-CG2 4.08Å; I20-L65 HydrophobicContact CD1-CD1 4.44Å
21S95.4Very high95.5Very high28 Ų2848.4 Ų48.420%0.19626%0.263CS..Hα-helixtrans-60-37.9-178.2-72.90000113R17 T18 S23 R56 K58R17-S21 WeakPolarHBondContact O-CB 3.3Å; R17-S21 PolarHBondContact O-N 3.44Å; R17-S21 PolarHBondContact O-OG 3.05Å; T18-S21 PolarHBondContact O-N 3.26Å; S21-S23 VanDerWaalsContact C-N 3.35Å; S21-R56 PolarHBondContact OG-NH1 3.25Å; S21-R56 VanDerWaalsContact OG-NH1 3.07Å; S21-K58 WeakPolarHBondContact O-CE 2.66Å
22T95.5Very high96Very high93 Ų9344.4 Ų44.457%0.57124%0.242SC*.Hα-helixtrans-88.8-1.3-179.654.40000113.1T18 A19 I20 D24T18-T22 HydrophobicContact CG2-CG2 4.37Å; T18-T22 WeakPolarHBondContact O-CB 3.3Å; T18-T22 WeakPolarHBondContact O-CG2 3.37Å; T18-T22 PolarHBondContact O-N 2.94Å; T18-T22 PolarHBondContact O-OG1 3.01Å; A19-T22 PolarHBondContact O-N 3.08Å; A19-T22 PolarHBondContact O-OG1 3.21Å; I20-T22 VanDerWaalsContact C-N 3.28Å; I20-T22 PolarHBondContact O-N 3.12Å; T22-D24 VanDerWaalsContact C-N 3.26Å; T22-D24 PolarHBondContact O-N 3.36Å
23S95.2Very high96.3Very high45 Ų4546 Ų4632%0.31526%0.258SS..THydrogen-bonded Turntrans62.627.8-178.3-155.20000114.3A19 I20 S21 I25A19-S23 PolarHBondContact O-N 2.9Å; I20-S23 PolarHBondContact O-N 3.38Å; I20-S23 VanDerWaalsContact O-N 3.11Å; S21-S23 VanDerWaalsContact C-N 3.35Å; S23-I25 PolarHBondContact O-N 3.02Å
24D97.7Very high96.4Very high68 Ų6851.3 Ų51.336%0.36428%0.282SS..  trans-78.983.3175.6-174.5-10.7000110.2A19 T22 E26 K27 V28A19-D24 HydrophobicContact CB-CB 4.33Å; A19-D24 PolarHBondContact O-N 3.1Å; T22-D24 VanDerWaalsContact C-N 3.26Å; T22-D24 PolarHBondContact O-N 3.36Å; D24-E26 VanDerWaalsContact C-N 3.31Å; D24-E26 PolarHBondContact O-N 2.95Å; D24-K27 HydrophobicContact CB-CB 4.1Å; D24-K27 PolarHBondContact O-N 3.28Å; D24-K27 WeakPolarHBondContact OD1-CB 3.35Å; D24-K27 PolarHBondContact OD1-N 2.73Å; D24-K27 WeakPolarHBondContact OD2-CB 3.1Å; D24-V28 WeakPolarHBondContact O-CG2 3.21Å; D24-V28 PolarHBondContact O-N 3.48Å
25I97.4Very high96.5Very high49 Ų4950.1 Ų50.125%0.25128%0.276SS..Hα-helixtrans-64.4-33.6-174.2-165.8166.8000112.9S23 V28 K29 P60 I61S23-I25 PolarHBondContact O-N 3.02Å; I25-V28 PolarHBondContact O-N 2.82Å; I25-K29 HydrophobicContact CG1-CD 4.5Å; I25-K29 WeakPolarHBondContact O-CB 3.4Å; I25-K29 VanDerWaalsContact O-CG 3.27Å; I25-K29 WeakPolarHBondContact O-CG 3.41Å; I25-K29 PolarHBondContact O-N 3.47Å; I25-P60 HydrophobicContact CD1-CB 4.2Å; I25-I61 HydrophobicContact CB-CD1 3.68Å; I25-I61 HydrophobicContact CD1-CD1 4.41Å; I25-I61 HydrophobicContact CG1-CD1 3.84Å
26E97.9Very high96.5Very high114 Ų11456.8 Ų56.853%0.53330%0.296SS..Hα-helixtrans-71.5-39.3179.7-63.9-51.5128.300110.8D24 K29 S30D24-E26 VanDerWaalsContact C-N 3.31Å; D24-E26 PolarHBondContact O-N 2.95Å; E26-K29 PolarHBondContact O-N 2.82Å; E26-K29 IonicContact OE1-NZ 2.59Å; E26-K29 PolarHBondContact OE1-NZ 3.04Å; E26-K29 IonicContact OE2-NZ 3.46Å; E26-S30 WeakPolarHBondContact O-CB 3.23Å; E26-S30 PolarHBondContact O-N 2.72Å
27K97.5Very high96.4Very high82 Ų8260.6 Ų60.636%0.35732%0.323SS..Hα-helixtrans-67.6-38.3172.3-172.1171.4178.7-177.20112.7S15 A19 D24 S30 L31S15-K27 VanDerWaalsContact OG-CE 3.24Å; S15-K27 WeakPolarHBondContact OG-CE 3.38Å; S15-K27 PolarHBondContact OG-NZ 3.4Å; A19-K27 HydrophobicContact CB-CB 4.02Å; A19-K27 HydrophobicContact CB-CD 3.94Å; A19-K27 HydrophobicContact CB-CG 3.86Å; D24-K27 HydrophobicContact CB-CB 4.1Å; D24-K27 PolarHBondContact O-N 3.28Å; D24-K27 WeakPolarHBondContact OD1-CB 3.35Å; D24-K27 PolarHBondContact OD1-N 2.73Å; D24-K27 WeakPolarHBondContact OD2-CB 3.1Å; K27-S30 PolarHBondContact O-N 3.27Å; K27-L31 HydrophobicContact CG-CD1 3.96Å; K27-L31 HydrophobicContact CG-CG 4.41Å; K27-L31 WeakPolarHBondContact O-CB 3.49Å; K27-L31 WeakPolarHBondContact O-CG 3.38Å; K27-L31 PolarHBondContact O-N 3.05Å
28V98.2Very high96.4Very high0 Ų059.6 Ų59.60%032%0.319CS..Hα-helixtrans-58.8-46.8172.7166.40000110.9F16 A19 I20 D24 I25 L32 I61 F64 L65F16-V28 HydrophobicContact CE2-CB 4.35Å; F16-V28 HydrophobicContact CE2-CG1 3.91Å; F16-V28 HydrophobicContact CE2-CG2 4.38Å; F16-V28 HydrophobicContact CZ-CG1 4.45Å; A19-V28 HydrophobicContact CB-CG2 3.76Å; I20-V28 HydrophobicContact CG1-CG2 3.77Å; D24-V28 WeakPolarHBondContact O-CG2 3.21Å; D24-V28 PolarHBondContact O-N 3.48Å; I25-V28 PolarHBondContact O-N 2.82Å; V28-L32 HydrophobicContact CG1-CD1 3.95Å; V28-L32 WeakPolarHBondContact O-CB 3.38Å; V28-L32 PolarHBondContact O-N 2.91Å; V28-L32 VanDerWaalsContact O-N 3.09Å; V28-I61 HydrophobicContact CG2-CD1 4.23Å; V28-F64 HydrophobicContact CG1-CD1 3.92Å; V28-F64 HydrophobicContact CG1-CE1 4.05Å; V28-L65 HydrophobicContact CG1-CD2 4.42Å
29K98.1Very high96.4Very high73 Ų7356.5 Ų56.532%0.31730%0.3SS..Hα-helixtrans-60.6-48.6175.9-75166.4179.6172.40112.1I25 E26 L31 L32 S33 F64I25-K29 HydrophobicContact CG1-CD 4.5Å; I25-K29 WeakPolarHBondContact O-CB 3.4Å; I25-K29 VanDerWaalsContact O-CG 3.27Å; I25-K29 WeakPolarHBondContact O-CG 3.41Å; I25-K29 PolarHBondContact O-N 3.47Å; E26-K29 PolarHBondContact O-N 2.82Å; E26-K29 IonicContact OE1-NZ 2.59Å; E26-K29 PolarHBondContact OE1-NZ 3.04Å; E26-K29 IonicContact OE2-NZ 3.46Å; K29-L31 PolarHBondContact O-N 3.08Å; K29-L32 PolarHBondContact O-N 3.31Å; K29-S33 PolarHBondContact O-N 3.31Å; K29-F64 HydrophobicContact CB-CZ 4.27Å; K29-F64 HydrophobicContact CD-CE2 4.42Å; K29-F64 HydrophobicContact CG-CD2 4.3Å; K29-F64 HydrophobicContact CG-CE1 3.93Å; K29-F64 HydrophobicContact CG-CE2 3.65Å; K29-F64 HydrophobicContact CG-CZ 3.44Å; K29-F64 VanDerWaalsContact CG-CZ 3.44Å
30S97Very high96.4Very high54 Ų5459.6 Ų59.638%0.37832%0.316SS..Hα-helixtrans-57.2-51.9180-169.10000111E26 K27 L32 S33 E34E26-S30 WeakPolarHBondContact O-CB 3.23Å; E26-S30 PolarHBondContact O-N 2.72Å; K27-S30 PolarHBondContact O-N 3.27Å; S30-L32 VanDerWaalsContact C-N 3.35Å; S30-L32 PolarHBondContact O-N 2.92Å; S30-S33 PolarHBondContact O-N 2.85Å; S30-S33 VanDerWaalsContact O-N 3.13Å; S30-S33 PolarHBondContact O-OG 3.07Å; S30-E34 PolarHBondContact O-N 3.24Å; S30-E34 VanDerWaalsContact O-N 3.11Å
31L96.5Very high96.3Very high18 Ų1860.5 Ų60.59%0.09432%0.322CS..Hα-helixtrans-64.6-37.3-178-69170.9000112.5F16 K27 K29 S33 E34 D35 L38F16-L31 HydrophobicContact CB-CD1 3.95Å; F16-L31 HydrophobicContact CD2-CB 3.87Å; F16-L31 HydrophobicContact CD2-CD1 4Å; F16-L31 HydrophobicContact CG-CD1 4.5Å; K27-L31 HydrophobicContact CG-CD1 3.96Å; K27-L31 HydrophobicContact CG-CG 4.41Å; K27-L31 WeakPolarHBondContact O-CB 3.49Å; K27-L31 WeakPolarHBondContact O-CG 3.38Å; K27-L31 PolarHBondContact O-N 3.05Å; K29-L31 PolarHBondContact O-N 3.08Å; L31-S33 VanDerWaalsContact C-N 3.3Å; L31-S33 PolarHBondContact O-N 3.33Å; L31-E34 PolarHBondContact O-N 3.26Å; L31-D35 PolarHBondContact O-N 3.12Å; L31-L38 HydrophobicContact CB-CD1 4.11Å
32L96.6Very high96.2Very high0 Ų064.4 Ų64.40%034%0.337CS..Hα-helixtrans-72.7-21.9176.2-82167.1000114.2F16 V28 K29 S30 R36 L38 I39 F64 L65 Y68F16-L32 HydrophobicContact CE2-CD1 3.87Å; F16-L32 HydrophobicContact CE2-CD2 4.32Å; F16-L32 HydrophobicContact CE2-CG 3.65Å; F16-L32 HydrophobicContact CZ-CD1 3.77Å; F16-L32 HydrophobicContact CZ-CD2 3.95Å; F16-L32 HydrophobicContact CZ-CG 3.72Å; V28-L32 HydrophobicContact CG1-CD1 3.95Å; V28-L32 WeakPolarHBondContact O-CB 3.38Å; V28-L32 PolarHBondContact O-N 2.91Å; V28-L32 VanDerWaalsContact O-N 3.09Å; K29-L32 PolarHBondContact O-N 3.31Å; S30-L32 VanDerWaalsContact C-N 3.35Å; S30-L32 PolarHBondContact O-N 2.92Å; L32-R36 PolarHBondContact O-N 3.04Å; L32-L38 HydrophobicContact CD2-CB 3.96Å; L32-I39 HydrophobicContact CD1-CD1 4.23Å; L32-I39 HydrophobicContact CD2-CB 3.78Å; L32-I39 HydrophobicContact CD2-CD1 4.23Å; L32-F64 HydrophobicContact CD1-CD1 4.38Å; L32-F64 HydrophobicContact CD1-CE1 3.68Å; L32-L65 HydrophobicContact CD1-CD2 3.92Å; L32-Y68 HydrophobicContact CB-CD1 4.42Å; L32-Y68 HydrophobicContact CB-CE1 3.86Å; L32-Y68 HydrophobicContact CD1-CD1 4.21Å; L32-Y68 HydrophobicContact CD1-CE1 4.46Å; L32-Y68 HydrophobicContact CD2-CD1 4.15Å; L32-Y68 HydrophobicContact CD2-CE1 4Å; L32-Y68 HydrophobicContact CG-CE1 4.33Å; L32-Y68 PolarHBondContact O-OH 3.27Å
33S95.2Very high96Very high88 Ų8862 Ų6262%0.61532%0.321SS*.Hα-helixtrans-77.2-32.7171.976.20000112K29 S30 L31K29-S33 PolarHBondContact O-N 3.31Å; S30-S33 PolarHBondContact O-N 2.85Å; S30-S33 VanDerWaalsContact O-N 3.13Å; S30-S33 PolarHBondContact O-OG 3.07Å; L31-S33 VanDerWaalsContact C-N 3.3Å; L31-S33 PolarHBondContact O-N 3.33Å
34E94.5Very high95.9Very high143 Ų14367.2 Ų67.267%0.66834%0.338SS*.Hα-helixtrans-76.4-44.5175.1-69.2172.3-167.400111.6S30 L31S30-E34 PolarHBondContact O-N 3.24Å; S30-E34 VanDerWaalsContact O-N 3.11Å; L31-E34 PolarHBondContact O-N 3.26Å
35D94.1Very high95.7Very high58 Ų5868.2 Ų68.231%0.3134%0.34SS..  trans-137.498.3179.1-1773.8000111.3L31 S37 L38L31-D35 PolarHBondContact O-N 3.12Å; D35-S37 VanDerWaalsContact CG-OG 3.23Å; D35-S37 PolarHBondContact O-N 3.06Å; D35-S37 WeakPolarHBondContact OD1-CB 3.46Å; D35-S37 PolarHBondContact OD1-N 3.21Å; D35-S37 PolarHBondContact OD1-OG 3.09Å; D35-S37 PolarHBondContact OD2-OG 3.29Å; D35-S37 VanDerWaalsContact OD2-OG 3.12Å; D35-L38 HydrophobicContact CB-CD1 4.06Å; D35-L38 HydrophobicContact CB-CG 4.09Å; D35-L38 WeakPolarHBondContact O-CB 3.37Å; D35-L38 WeakPolarHBondContact O-CG 3.32Å; D35-L38 PolarHBondContact O-N 3.41Å
36R95.2Very high95.6Very high171 Ų17166.4 Ų66.465%0.64533%0.334SS*.G310 helixtrans-64.6-23.1177.4-175.5168.6-172.2-173.82.6112.8L32 L38 I39 Y68L32-R36 PolarHBondContact O-N 3.04Å; R36-L38 PolarHBondContact O-N 3.22Å; R36-I39 WeakPolarHBondContact O-CG2 3.16Å; R36-I39 PolarHBondContact O-N 3.31Å; R36-Y68 HydrophobicContact CG-CE1 3.99Å
37S93.8Very high95.6Very high81 Ų8162 Ų6257%0.56631%0.314SS*.G310 helixtrans-64.6-23-178.579.20000112.5D35 I39 N40 S41D35-S37 VanDerWaalsContact CG-OG 3.23Å; D35-S37 PolarHBondContact O-N 3.06Å; D35-S37 WeakPolarHBondContact OD1-CB 3.46Å; D35-S37 PolarHBondContact OD1-N 3.21Å; D35-S37 PolarHBondContact OD1-OG 3.09Å; D35-S37 PolarHBondContact OD2-OG 3.29Å; D35-S37 VanDerWaalsContact OD2-OG 3.12Å; S37-I39 PolarHBondContact O-N 3.42Å; S37-I39 VanDerWaalsContact O-N 3.13Å; S37-N40 PolarHBondContact O-N 3.1Å; S37-S41 PolarHBondContact O-N 3.08Å
38L96Very high95.6Very high8 Ų858.3 Ų58.34%0.04230%0.299CS..G310 helixtrans-56.6-28.5176-67.8174.1000113.2I12 L13 F16 L31 L32 D35 R36 N40 S41 P49I12-L38 HydrophobicContact CG2-CD1 4.09Å; I12-L38 HydrophobicContact CG2-CD2 4.33Å; L13-L38 HydrophobicContact CD1-CD2 4.27Å; F16-L38 HydrophobicContact CB-CD1 4.22Å; F16-L38 HydrophobicContact CD1-CB 3.92Å; F16-L38 HydrophobicContact CD1-CD1 4.38Å; F16-L38 HydrophobicContact CD1-CD2 4.34Å; F16-L38 HydrophobicContact CD1-CG 4.46Å; F16-L38 HydrophobicContact CD2-CD1 4.22Å; F16-L38 HydrophobicContact CE1-CB 3.84Å; F16-L38 HydrophobicContact CG-CB 4.38Å; F16-L38 HydrophobicContact CG-CD1 4.03Å; F16-L38 HydrophobicContact CZ-CB 4.25Å; L31-L38 HydrophobicContact CB-CD1 4.11Å; L32-L38 HydrophobicContact CD2-CB 3.96Å; D35-L38 HydrophobicContact CB-CD1 4.06Å; D35-L38 HydrophobicContact CB-CG 4.09Å; D35-L38 WeakPolarHBondContact O-CB 3.37Å; D35-L38 WeakPolarHBondContact O-CG 3.32Å; D35-L38 PolarHBondContact O-N 3.41Å; R36-L38 PolarHBondContact O-N 3.22Å; L38-N40 VanDerWaalsContact C-N 3.26Å; L38-N40 PolarHBondContact O-N 2.83Å; L38-S41 WeakPolarHBondContact O-CB 3.4Å; L38-S41 PolarHBondContact O-N 3.39Å; L38-S41 PolarHBondContact O-OG 3.49Å; L38-P49 VanDerWaalsContact O-CG 3.23Å; L38-P49 WeakPolarHBondContact O-CG 3.32Å
39I97.6Very high95.6Very high12 Ų1258.3 Ų58.36%0.06230%0.299CS..G310 helixtrans-56.2-36.8-174.3-16855.7000114L32 R36 S37 L65 Y68 A70L32-I39 HydrophobicContact CD1-CD1 4.23Å; L32-I39 HydrophobicContact CD2-CB 3.78Å; L32-I39 HydrophobicContact CD2-CD1 4.23Å; R36-I39 WeakPolarHBondContact O-CG2 3.16Å; R36-I39 PolarHBondContact O-N 3.31Å; S37-I39 PolarHBondContact O-N 3.42Å; S37-I39 VanDerWaalsContact O-N 3.13Å; I39-L65 HydrophobicContact CD1-CB 4.22Å; I39-L65 HydrophobicContact CD1-CD2 3.56Å; I39-L65 HydrophobicContact CD1-CG 4.49Å; I39-Y68 HydrophobicContact CB-CD1 4.37Å; I39-Y68 HydrophobicContact CD1-CD1 4Å; I39-Y68 HydrophobicContact CG1-CD1 4.09Å; I39-A70 HydrophobicContact CD1-CB 3.91Å; I39-A70 HydrophobicContact CG1-CB 4.11Å
40N96.7Very high95.6Very high66 Ų6654.9 Ų54.935%0.35328%0.284SS..G310 helixtrans-120.920.1-179.4-71.1-47.7000111.8S37 L38 H42 G69 N71S37-N40 PolarHBondContact O-N 3.1Å; L38-N40 VanDerWaalsContact C-N 3.26Å; L38-N40 PolarHBondContact O-N 2.83Å; N40-H42 PolarHBondContact O-CD2 3Å; N40-H42 PolarHBondContact O-NE2 3.27Å; N40-G69 PolarHBondContact ND2-O 3.35Å; N40-N71 PolarHBondContact OD1-N 3.4Å
41S95.4Very high95.7Very high19 Ų1952.4 Ų52.413%0.13327%0.266CS..  trans-60.1166170.165.60000112L13 S37 L38 S48 P49L13-S41 VanDerWaalsContact CD1-OG 3.27Å; L13-S41 WeakPolarHBondContact CD1-OG 3.49Å; S37-S41 PolarHBondContact O-N 3.08Å; L38-S41 WeakPolarHBondContact O-CB 3.4Å; L38-S41 PolarHBondContact O-N 3.39Å; L38-S41 PolarHBondContact O-OG 3.49Å; S41-S48 WeakPolarHBondContact O-CA 3.1Å; S41-P49 WeakPolarHBondContact O-CD 3.37Å
42H93.7Very high95.7Very high110 Ų11051.8 Ų51.851%0.50926%0.263SS..  trans-144.1145.6178.21074.1000109.8N40N40-H42 PolarHBondContact O-CD2 3Å; N40-H42 PolarHBondContact O-NE2 3.27Å
43D92.7Very high95.8Very high43 Ų4351.8 Ų51.823%0.2326%0.263CS..  trans-81.3-171.5171.769.28.4000112.3R17 E45 G46 L47R17-D43 IonicContact CZ-OD2 2.7Å; R17-D43 IonicContact NH1-OD2 2.72Å; R17-D43 PolarHBondContact NH1-OD2 3.09Å; R17-D43 IonicContact NH2-OD2 2.81Å; R17-D43 PolarHBondContact NH2-OD2 3.1Å; D43-E45 PolarHBondContact O-N 3.32Å; D43-E45 VanDerWaalsContact O-N 3.17Å; D43-E45 VanDerWaalsContact OD1-CA 3.31Å; D43-E45 WeakPolarHBondContact OD1-CA 3.36Å; D43-E45 WeakPolarHBondContact OD1-CB 3.41Å; D43-E45 PolarHBondContact OD1-N 3.22Å; D43-G46 PolarHBondContact O-N 2.96Å; D43-G46 PolarHBondContact OD1-N 3.44Å; D43-L47 PolarHBondContact N-O 3.04Å; D43-L47 WeakPolarHBondContact OD1-CB 3.46Å; D43-L47 PolarHBondContact OD1-N 3.41Å; D43-L47 WeakPolarHBondContact OD2-CB 3.22Å
44K91.7Very high96Very high155 Ų15547.6 Ų47.667%0.67423%0.234SC*.THydrogen-bonded Turntrans-62.5-17.9177.9-63.4175.7-175.81650113.9E10 K78E10-K44 WeakPolarHBondContact OE1-CE 3.47Å; E10-K44 IonicContact OE1-NZ 2.71Å; E10-K44 PolarHBondContact OE1-NZ 3Å; K44-K78 WeakPolarHBondContact O-CE 2.91Å; K44-K78 PolarHBondContact O-NZ 2.95Å
45E93.9Very high96.1Very high88 Ų8845.6 Ų45.641%0.41122%0.223SC..THydrogen-bonded Turntrans-98.52.4174.8-57.4-52121.200112.5D43 L47 H77 K78D43-E45 PolarHBondContact O-N 3.32Å; D43-E45 VanDerWaalsContact O-N 3.17Å; D43-E45 VanDerWaalsContact OD1-CA 3.31Å; D43-E45 WeakPolarHBondContact OD1-CA 3.36Å; D43-E45 WeakPolarHBondContact OD1-CB 3.41Å; D43-E45 PolarHBondContact OD1-N 3.22Å; E45-L47 VanDerWaalsContact C-N 3.26Å; E45-L47 PolarHBondContact O-N 3.3Å; E45-H77 WeakPolarHBondContact O-CA 3.48Å; E45-H77 PolarHBondContact O-CD2 2.73Å; E45-K78 WeakPolarHBondContact O-CG 3.47Å; E45-K78 PolarHBondContact O-N 3Å; E45-K78 IonicContact OE1-NZ 2.69Å; E45-K78 PolarHBondContact OE1-NZ 3.45Å; E45-K78 VanDerWaalsContact OE2-CD 3.24Å; E45-K78 WeakPolarHBondContact OE2-CD 3.39Å; E45-K78 WeakPolarHBondContact OE2-CE 3.44Å; E45-K78 IonicContact OE2-NZ 3.66Å; E45-K78 PolarHBondContact OE2-NZ 3.35Å
46G95.9Very high96.3Very high12 Ų1248.5 Ų48.512%0.12423%0.23CC..  trans75.612.5-17600000113.8D43 S48 S76 H77D43-G46 PolarHBondContact O-N 2.96Å; D43-G46 PolarHBondContact OD1-N 3.44Å; G46-S48 PolarHBondContact O-N 2.77Å; G46-S76 WeakPolarHBondContact CA-O 3.41Å; G46-S76 CarbonylContact O-C 3.52Å; G46-S76 PolarHBondContact O-OG 3.09Å; G46-H77 WeakPolarHBondContact O-CA 3.35Å; G46-H77 PolarHBondContact O-N 3.05Å
47L96.6Very high96.3Very high21 Ų2141.3 Ų41.311%0.1121%0.209CC..  trans-75.3118.6-177.3-168.875.9000110.8R17 D43 E45 Q51 L52 F86R17-L47 PolarHBondContact NH1-O 3.27Å; D43-L47 PolarHBondContact N-O 3.04Å; D43-L47 WeakPolarHBondContact OD1-CB 3.46Å; D43-L47 PolarHBondContact OD1-N 3.41Å; D43-L47 WeakPolarHBondContact OD2-CB 3.22Å; E45-L47 VanDerWaalsContact C-N 3.26Å; E45-L47 PolarHBondContact O-N 3.3Å; L47-Q51 HydrophobicContact CD1-CB 3.62Å; L47-Q51 HydrophobicContact CG-CB 4.19Å; L47-L52 HydrophobicContact CD2-CB 3.95Å; L47-L52 HydrophobicContact CD2-CD1 4.13Å; L47-L52 HydrophobicContact CG-CB 4.47Å; L47-F86 HydrophobicContact CD1-CD2 4.29Å; L47-F86 HydrophobicContact CD1-CE1 4.14Å; L47-F86 HydrophobicContact CD1-CE2 3.43Å; L47-F86 VanDerWaalsContact CD1-CE2 3.43Å; L47-F86 HydrophobicContact CD1-CZ 3.34Å
48S97.4Very high96.4Very high5 Ų540.6 Ų40.64%0.03520%0.196CC..  trans-78157.6177.381.40000112.7S41 G46 L50 Q51 L52S41-S48 WeakPolarHBondContact O-CA 3.1Å; G46-S48 PolarHBondContact O-N 2.77Å; S48-L50 VanDerWaalsContact C-N 3.26Å; S48-L50 PolarHBondContact O-N 3.44Å; S48-Q51 PolarHBondContact O-N 3.44Å; S48-Q51 VanDerWaalsContact O-N 3.17Å; S48-Q51 VanDerWaalsContact OG-CG 3.31Å; S48-Q51 WeakPolarHBondContact OG-CG 3.39Å; S48-Q51 PolarHBondContact OG-N 3.12Å; S48-L52 PolarHBondContact O-N 2.97Å
49P98Very high96.5Very high0 Ų042.4 Ų42.40%021%0.205CC..Hα-helixtrans-49-44.4171.3-30.733.6000113.9F16 I20 L38 S41 L52 A53 L65F16-P49 HydrophobicContact CD1-CG 4.38Å; F16-P49 HydrophobicContact CE1-CB 3.86Å; F16-P49 HydrophobicContact CE1-CG 3.66Å; F16-P49 HydrophobicContact CZ-CB 4.49Å; I20-P49 HydrophobicContact CD1-CB 3.59Å; L38-P49 VanDerWaalsContact O-CG 3.23Å; L38-P49 WeakPolarHBondContact O-CG 3.32Å; S41-P49 WeakPolarHBondContact O-CD 3.37Å; P49-L52 PolarHBondContact O-N 3.07Å; P49-A53 WeakPolarHBondContact O-CB 3.42Å; P49-A53 PolarHBondContact O-N 2.94Å; P49-L65 HydrophobicContact CB-CD1 4.13Å; P49-L65 HydrophobicContact CB-CD2 4.49Å
50L98.7Very high96.5Very high1 Ų145.1 Ų45.11%0.00522%0.224CC..Hα-helixtrans-65.9-44.6179.8-179.464.2000111.2S48 L52 A53 C54 V62 L65 L66 A70 A83 L99S48-L50 VanDerWaalsContact C-N 3.26Å; S48-L50 PolarHBondContact O-N 3.44Å; L50-L52 VanDerWaalsContact C-N 3.33Å; L50-L52 PolarHBondContact O-N 3.21Å; L50-A53 PolarHBondContact O-N 3.25Å; L50-C54 WeakPolarHBondContact O-CB 3.15Å; L50-C54 PolarHBondContact O-N 3.16Å; L50-C54 PolarHBondContact O-SG 3.05Å; L50-V62 HydrophobicContact CD1-CG1 3.93Å; L50-L65 HydrophobicContact CD1-CB 4.27Å; L50-L66 HydrophobicContact CD1-CD2 4.16Å; L50-L66 HydrophobicContact CD1-CG 4Å; L50-L66 HydrophobicContact CD2-CD2 3.78Å; L50-A70 HydrophobicContact CB-CB 4.12Å; L50-A70 HydrophobicContact CD2-CB 4.1Å; L50-A83 HydrophobicContact CD2-CB 3.94Å; L50-A83 HydrophobicContact CG-CB 3.97Å; L50-L99 HydrophobicContact CD1-CD2 4.48Å; L50-L99 HydrophobicContact CD2-CD2 4.37Å
51Q98.5Very high96.6Very high1 Ų142 Ų421%0.00521%0.207CC..Hα-helixtrans-60.4-43176.8-71.9165.3-8.800111.4L47 S48 C54 F55 S74 Y81 A83 F86L47-Q51 HydrophobicContact CD1-CB 3.62Å; L47-Q51 HydrophobicContact CG-CB 4.19Å; S48-Q51 PolarHBondContact O-N 3.44Å; S48-Q51 VanDerWaalsContact O-N 3.17Å; S48-Q51 VanDerWaalsContact OG-CG 3.31Å; S48-Q51 WeakPolarHBondContact OG-CG 3.39Å; S48-Q51 PolarHBondContact OG-N 3.12Å; Q51-C54 PolarHBondContact O-N 3.26Å; Q51-F55 WeakPolarHBondContact O-CB 3.46Å; Q51-F55 PolarHBondContact O-N 3.04Å; Q51-S74 PolarHBondContact NE2-O 2.92Å; Q51-Y81 PolarHBondContact NE2-O 3.36Å; Q51-A83 HydrophobicContact CG-CB 4.43Å; Q51-F86 HydrophobicContact CB-CD2 3.64Å; Q51-F86 HydrophobicContact CB-CE2 3.85Å; Q51-F86 HydrophobicContact CG-CD2 3.87Å; Q51-F86 HydrophobicContact CG-CE2 4.07Å
52L98Very high96.7Very high6 Ų641 Ų413%0.03120%0.201CC..Hα-helixtrans-61.3-47.5175177.561.5000112R17 I20 L47 S48 P49 L50 C54 F55 R56R17-L52 HydrophobicContact CB-CD2 3.98Å; R17-L52 HydrophobicContact CG-CD2 4.3Å; I20-L52 HydrophobicContact CB-CD2 4.36Å; I20-L52 HydrophobicContact CG2-CB 4.48Å; I20-L52 HydrophobicContact CG2-CD2 4.1Å; I20-L52 HydrophobicContact CG2-CG 4.06Å; L47-L52 HydrophobicContact CD2-CB 3.95Å; L47-L52 HydrophobicContact CD2-CD1 4.13Å; L47-L52 HydrophobicContact CG-CB 4.47Å; S48-L52 PolarHBondContact O-N 2.97Å; P49-L52 PolarHBondContact O-N 3.07Å; L50-L52 VanDerWaalsContact C-N 3.33Å; L50-L52 PolarHBondContact O-N 3.21Å; L52-C54 VanDerWaalsContact C-N 3.32Å; L52-C54 PolarHBondContact O-N 3.35Å; L52-F55 PolarHBondContact O-N 2.9Å; L52-R56 HydrophobicContact CD1-CG 4.14Å; L52-R56 WeakPolarHBondContact O-CB 3.5Å; L52-R56 VanDerWaalsContact O-CG 3.28Å; L52-R56 WeakPolarHBondContact O-CG 3.46Å; L52-R56 PolarHBondContact O-N 3.05Å
53A98.5Very high97Very high0 Ų039.3 Ų39.30%019%0.193CC..Hα-helixtrans-61.1-40.5178.100000112.2I20 P49 L50 R56 G57 K58 I61 V62 L65I20-A53 HydrophobicContact CG2-CB 3.77Å; P49-A53 WeakPolarHBondContact O-CB 3.42Å; P49-A53 PolarHBondContact O-N 2.94Å; L50-A53 PolarHBondContact O-N 3.25Å; A53-R56 CarbonylContact O-C 3.56Å; A53-R56 PolarHBondContact O-N 2.95Å; A53-G57 PolarHBondContact O-N 2.87Å; A53-G57 VanDerWaalsContact O-N 3.09Å; A53-K58 PolarHBondContact O-N 3.49Å; A53-I61 HydrophobicContact CB-CB 4.37Å; A53-I61 HydrophobicContact CB-CG2 3.92Å; A53-V62 HydrophobicContact CB-CG2 3.72Å; A53-L65 HydrophobicContact CB-CD1 4Å
54C98.7Very high97.2Very high0 Ų039.2 Ų39.20%019%0.19CC..Hα-helixtrans-65.8-46.7177.3-67.50000111.8L50 Q51 L52 R56 G57 F86 A87 V95L50-C54 WeakPolarHBondContact O-CB 3.15Å; L50-C54 PolarHBondContact O-N 3.16Å; L50-C54 PolarHBondContact O-SG 3.05Å; Q51-C54 PolarHBondContact O-N 3.26Å; L52-C54 VanDerWaalsContact C-N 3.32Å; L52-C54 PolarHBondContact O-N 3.35Å; C54-R56 PolarHBondContact O-N 3.42Å; C54-G57 PolarHBondContact O-N 2.74Å; C54-F86 HydrophobicContact CB-CB 4.25Å; C54-A87 HydrophobicContact CB-CB 4.19Å; C54-V95 HydrophobicContact CB-CG1 4.18Å
55F97.6Very high97.6Very high101 Ų10131.9 Ų31.944%0.44316%0.158SC..Hα-helixtrans-60.5-36.2176.7-177.7-121.1000112.2Q51 L52 G57 F86Q51-F55 WeakPolarHBondContact O-CB 3.46Å; Q51-F55 PolarHBondContact O-N 3.04Å; L52-F55 PolarHBondContact O-N 2.9Å; F55-G57 VanDerWaalsContact C-N 3.28Å; F55-G57 PolarHBondContact O-N 3.33Å; F55-F86 HydrophobicContact CB-CB 4Å; F55-F86 HydrophobicContact CB-CD1 3.73Å; F55-F86 HydrophobicContact CB-CG 4.14Å; F55-F86 AromaticContact CD2-CD1 3.8Å; F55-F86 HydrophobicContact CD2-CD1 3.8Å; F55-F86 AromaticContact CG-CD1 3.92Å; F55-F86 HydrophobicContact CG-CD1 3.92Å
56R97Very high97.8Very high118 Ų11828.1 Ų28.145%0.44514%0.141SC..THydrogen-bonded Turntrans-83.30.1177.5-62.9-64.7177.182.45.1113.8S21 L52 A53 C54 K58S21-R56 PolarHBondContact OG-NH1 3.25Å; S21-R56 VanDerWaalsContact OG-NH1 3.07Å; L52-R56 HydrophobicContact CD1-CG 4.14Å; L52-R56 WeakPolarHBondContact O-CB 3.5Å; L52-R56 VanDerWaalsContact O-CG 3.28Å; L52-R56 WeakPolarHBondContact O-CG 3.46Å; L52-R56 PolarHBondContact O-N 3.05Å; A53-R56 CarbonylContact O-C 3.56Å; A53-R56 PolarHBondContact O-N 2.95Å; C54-R56 PolarHBondContact O-N 3.42Å; R56-K58 VanDerWaalsContact C-N 3.25Å; R56-K58 HydrophobicContact CB-CD 4.44Å; R56-K58 HydrophobicContact CB-CG 3.81Å; R56-K58 PolarHBondContact O-N 3.46Å
57G95.5Very high97.9Very high21 Ų2133.9 Ų33.922%0.21616%0.163CC..THydrogen-bonded Turntrans60.429179.700000114.3A53 C54 F55 L59 N92A53-G57 PolarHBondContact O-N 2.87Å; A53-G57 VanDerWaalsContact O-N 3.09Å; C54-G57 PolarHBondContact O-N 2.74Å; F55-G57 VanDerWaalsContact C-N 3.28Å; F55-G57 PolarHBondContact O-N 3.33Å; G57-L59 PolarHBondContact O-N 2.86Å; G57-L59 VanDerWaalsContact O-N 3.09Å; G57-N92 PolarHBondContact O-ND2 2.95Å
58K97Very high97.9Very high65 Ų6536.3 Ų36.328%0.28317%0.171SC..  trans-85.573.8-174.8-57.9-52.8-173.9-177.50111.3S21 A53 R56 I61 V62S21-K58 WeakPolarHBondContact O-CE 2.66Å; A53-K58 PolarHBondContact O-N 3.49Å; R56-K58 VanDerWaalsContact C-N 3.25Å; R56-K58 HydrophobicContact CB-CD 4.44Å; R56-K58 HydrophobicContact CB-CG 3.81Å; R56-K58 PolarHBondContact O-N 3.46Å; K58-I61 HydrophobicContact CB-CB 3.98Å; K58-I61 HydrophobicContact CB-CG1 3.99Å; K58-I61 WeakPolarHBondContact O-CA 3.43Å; K58-I61 WeakPolarHBondContact O-CB 3.41Å; K58-I61 PolarHBondContact O-N 2.91Å; K58-V62 WeakPolarHBondContact O-CG2 3.4Å; K58-V62 PolarHBondContact O-N 3.02Å
59L97.2Very high97.9Very high46 Ų4638.2 Ų38.224%0.24119%0.192CC..Hα-helixtrans-47-49.3-175-179.969.9000114.1G57 I61 V62 E63 E94 V95 L98G57-L59 PolarHBondContact O-N 2.86Å; G57-L59 VanDerWaalsContact O-N 3.09Å; L59-I61 VanDerWaalsContact C-N 3.26Å; L59-I61 PolarHBondContact O-N 3.34Å; L59-V62 PolarHBondContact O-N 3.01Å; L59-E63 PolarHBondContact O-N 3.5Å; L59-E94 HydrophobicContact CD1-CB 4.14Å; L59-E94 HydrophobicContact CD2-CB 3.94Å; L59-E94 WeakPolarHBondContact CD2-OE2 3.26Å; L59-V95 HydrophobicContact CB-CG2 4.15Å; L59-V95 HydrophobicContact CD1-CG2 4.02Å; L59-L98 HydrophobicContact CD1-CD2 3.8Å
60P97.9Very high98Very high69 Ų6938.7 Ų38.745%0.44820%0.196SC..Hα-helixtrans-61.9-33.3179.7-23.735.2000113.6I25 F64I25-P60 HydrophobicContact CD1-CB 4.2Å; P60-F64 WeakPolarHBondContact O-CB 3.28Å; P60-F64 PolarHBondContact O-N 3.19Å; P60-F64 VanDerWaalsContact O-N 3.14Å
61I98.5Very high97.9Very high0 Ų042.6 Ų42.60%022%0.216CC..Hα-helixtrans-75.2-43.2177.2-56.6-60.3000110.4I20 I25 V28 A53 K58 L59 E63 F64 L65I20-I61 HydrophobicContact CB-CG2 4.47Å; I20-I61 HydrophobicContact CG1-CG2 4.16Å; I20-I61 HydrophobicContact CG2-CG2 4.08Å; I25-I61 HydrophobicContact CB-CD1 3.68Å; I25-I61 HydrophobicContact CD1-CD1 4.41Å; I25-I61 HydrophobicContact CG1-CD1 3.84Å; V28-I61 HydrophobicContact CG2-CD1 4.23Å; A53-I61 HydrophobicContact CB-CB 4.37Å; A53-I61 HydrophobicContact CB-CG2 3.92Å; K58-I61 HydrophobicContact CB-CB 3.98Å; K58-I61 HydrophobicContact CB-CG1 3.99Å; K58-I61 WeakPolarHBondContact O-CA 3.43Å; K58-I61 WeakPolarHBondContact O-CB 3.41Å; K58-I61 PolarHBondContact O-N 2.91Å; L59-I61 VanDerWaalsContact C-N 3.26Å; L59-I61 PolarHBondContact O-N 3.34Å; I61-E63 VanDerWaalsContact C-N 3.34Å; I61-E63 PolarHBondContact O-N 2.84Å; I61-F64 PolarHBondContact O-N 3.01Å; I61-L65 HydrophobicContact CG2-CD1 3.83Å; I61-L65 HydrophobicContact CG2-CG 4.11Å; I61-L65 WeakPolarHBondContact O-CB 3.42Å; I61-L65 VanDerWaalsContact O-CG 3.24Å; I61-L65 WeakPolarHBondContact O-CG 3.14Å; I61-L65 PolarHBondContact O-N 2.82Å
62V98.7Very high97.9Very high0 Ų043.3 Ų43.30%022%0.221CC..Hα-helixtrans-56.9-49.6176.1174.50000110.3L50 A53 K58 L59 F64 L65 L66 V95 L98 L99L50-V62 HydrophobicContact CD1-CG1 3.93Å; A53-V62 HydrophobicContact CB-CG2 3.72Å; K58-V62 WeakPolarHBondContact O-CG2 3.4Å; K58-V62 PolarHBondContact O-N 3.02Å; L59-V62 PolarHBondContact O-N 3.01Å; V62-F64 VanDerWaalsContact C-N 3.35Å; V62-F64 PolarHBondContact O-N 2.9Å; V62-L65 PolarHBondContact O-N 2.62Å; V62-L66 HydrophobicContact CG1-CD1 3.82Å; V62-L66 HydrophobicContact CG1-CG 4.45Å; V62-L66 WeakPolarHBondContact O-CB 3.34Å; V62-L66 WeakPolarHBondContact O-CG 3.28Å; V62-L66 PolarHBondContact O-N 2.99Å; V62-V95 HydrophobicContact CG1-CG1 4.27Å; V62-V95 HydrophobicContact CG2-CG1 4.16Å; V62-V95 HydrophobicContact CG2-CG2 4.38Å; V62-L98 HydrophobicContact CB-CD2 4.46Å; V62-L98 HydrophobicContact CG1-CD2 3.93Å; V62-L99 HydrophobicContact CG1-CD2 4.45Å
63E98.6Very high97.9Very high74 Ų7444.6 Ų44.635%0.34623%0.228SC..Hα-helixtrans-59.9-44.5178.3-168.8-174.3172.900112.1L59 I61 K67 L98L59-E63 PolarHBondContact O-N 3.5Å; I61-E63 VanDerWaalsContact C-N 3.34Å; I61-E63 PolarHBondContact O-N 2.84Å; E63-K67 HydrophobicContact CG-CD 4.2Å; E63-K67 WeakPolarHBondContact O-CB 3.07Å; E63-K67 WeakPolarHBondContact O-CG 3.24Å; E63-K67 PolarHBondContact O-N 3.13Å; E63-K67 WeakPolarHBondContact OE1-CE 3.47Å; E63-K67 IonicContact OE1-NZ 3.8Å; E63-K67 PolarHBondContact OE1-NZ 3.31Å; E63-L98 HydrophobicContact CB-CD2 3.73Å; E63-L98 HydrophobicContact CG-CD2 4.2Å
64F98.4Very high97.9Very high41 Ų4145.5 Ų45.518%0.1823%0.234CC..Hα-helixtrans-62.2-48.3177-179-100.9000112.2V28 K29 L32 P60 I61 V62 L66 K67 Y68V28-F64 HydrophobicContact CG1-CD1 3.92Å; V28-F64 HydrophobicContact CG1-CE1 4.05Å; K29-F64 HydrophobicContact CB-CZ 4.27Å; K29-F64 HydrophobicContact CD-CE2 4.42Å; K29-F64 HydrophobicContact CG-CD2 4.3Å; K29-F64 HydrophobicContact CG-CE1 3.93Å; K29-F64 HydrophobicContact CG-CE2 3.65Å; K29-F64 HydrophobicContact CG-CZ 3.44Å; K29-F64 VanDerWaalsContact CG-CZ 3.44Å; L32-F64 HydrophobicContact CD1-CD1 4.38Å; L32-F64 HydrophobicContact CD1-CE1 3.68Å; P60-F64 WeakPolarHBondContact O-CB 3.28Å; P60-F64 PolarHBondContact O-N 3.19Å; P60-F64 VanDerWaalsContact O-N 3.14Å; I61-F64 PolarHBondContact O-N 3.01Å; V62-F64 VanDerWaalsContact C-N 3.35Å; V62-F64 PolarHBondContact O-N 2.9Å; F64-L66 PolarHBondContact O-N 3.01Å; F64-K67 PolarHBondContact O-N 2.97Å; F64-Y68 HydrophobicContact CZ-CD2 4.06Å; F64-Y68 HydrophobicContact CZ-CG 4.5Å; F64-Y68 WeakPolarHBondContact O-CB 3.38Å; F64-Y68 PolarHBondContact O-N 3.45Å
65L98.7Very high97.8Very high0 Ų049 Ų490%026%0.259CS..Hα-helixtrans-61.7-42.3-179.7-67.7174.1000111.7F16 I20 V28 L32 I39 P49 L50 A53 I61 V62 Y68 G69 A70F16-L65 HydrophobicContact CZ-CD2 4.27Å; I20-L65 HydrophobicContact CD1-CD1 4.44Å; V28-L65 HydrophobicContact CG1-CD2 4.42Å; L32-L65 HydrophobicContact CD1-CD2 3.92Å; I39-L65 HydrophobicContact CD1-CB 4.22Å; I39-L65 HydrophobicContact CD1-CD2 3.56Å; I39-L65 HydrophobicContact CD1-CG 4.49Å; P49-L65 HydrophobicContact CB-CD1 4.13Å; P49-L65 HydrophobicContact CB-CD2 4.49Å; L50-L65 HydrophobicContact CD1-CB 4.27Å; A53-L65 HydrophobicContact CB-CD1 4Å; I61-L65 HydrophobicContact CG2-CD1 3.83Å; I61-L65 HydrophobicContact CG2-CG 4.11Å; I61-L65 WeakPolarHBondContact O-CB 3.42Å; I61-L65 VanDerWaalsContact O-CG 3.24Å; I61-L65 WeakPolarHBondContact O-CG 3.14Å; I61-L65 PolarHBondContact O-N 2.82Å; V62-L65 PolarHBondContact O-N 2.62Å; L65-Y68 CarbonylContact O-C 3.32Å; L65-Y68 PolarHBondContact O-N 3.36Å; L65-G69 PolarHBondContact O-N 2.91Å; L65-A70 HydrophobicContact CB-CB 4.03Å; L65-A70 WeakPolarHBondContact O-CB 3.29Å; L65-A70 PolarHBondContact O-N 3.34Å
66L98.7Very high97.6Very high9 Ų946.5 Ų46.55%0.04725%0.254CS..Hα-helixtrans-62.4-46.6176-72.8169.5000111.7L50 V62 F64 Y68 G69 V72 L98 L99 Y102L50-L66 HydrophobicContact CD1-CD2 4.16Å; L50-L66 HydrophobicContact CD1-CG 4Å; L50-L66 HydrophobicContact CD2-CD2 3.78Å; V62-L66 HydrophobicContact CG1-CD1 3.82Å; V62-L66 HydrophobicContact CG1-CG 4.45Å; V62-L66 WeakPolarHBondContact O-CB 3.34Å; V62-L66 WeakPolarHBondContact O-CG 3.28Å; V62-L66 PolarHBondContact O-N 2.99Å; F64-L66 PolarHBondContact O-N 3.01Å; L66-Y68 PolarHBondContact O-N 3.38Å; L66-G69 PolarHBondContact O-N 2.88Å; L66-G69 VanDerWaalsContact O-N 3.1Å; L66-V72 HydrophobicContact CD2-CB 4.01Å; L66-V72 HydrophobicContact CD2-CG2 4.08Å; L66-L98 HydrophobicContact CD1-CD2 4.09Å; L66-L98 HydrophobicContact CD1-CG 3.83Å; L66-L99 HydrophobicContact CD1-CD2 4.15Å; L66-L99 HydrophobicContact CD2-CD2 4.35Å; L66-Y102 HydrophobicContact CB-CD1 3.85Å; L66-Y102 HydrophobicContact CB-CD2 4.25Å; L66-Y102 HydrophobicContact CB-CE1 3.76Å; L66-Y102 HydrophobicContact CB-CE2 4.16Å; L66-Y102 HydrophobicContact CB-CG 4.09Å; L66-Y102 HydrophobicContact CD1-CD2 3.79Å; L66-Y102 HydrophobicContact CD1-CE2 4.27Å; L66-Y102 HydrophobicContact CD1-CG 3.93Å; L66-Y102 HydrophobicContact CD2-CD1 4.19Å; L66-Y102 HydrophobicContact CD2-CG 4.1Å; L66-Y102 HydrophobicContact CG-CD1 4.41Å; L66-Y102 HydrophobicContact CG-CD2 4.5Å; L66-Y102 HydrophobicContact CG-CG 4.27Å
67K98.1Very high97.6Very high133 Ų13342.2 Ų42.258%0.57824%0.239SC*.Hα-helixtrans-61.3-30.6174.6-74.5175.7173.9173.40112.9E63 F64 G69 Y102E63-K67 HydrophobicContact CG-CD 4.2Å; E63-K67 WeakPolarHBondContact O-CB 3.07Å; E63-K67 WeakPolarHBondContact O-CG 3.24Å; E63-K67 PolarHBondContact O-N 3.13Å; E63-K67 WeakPolarHBondContact OE1-CE 3.47Å; E63-K67 IonicContact OE1-NZ 3.8Å; E63-K67 PolarHBondContact OE1-NZ 3.31Å; F64-K67 PolarHBondContact O-N 2.97Å; K67-G69 VanDerWaalsContact C-N 3.3Å; K67-Y102 WeakPolarHBondContact CG-OH 3.4Å
68Y97.4Very high97.7Very high72 Ų7247.4 Ų47.428%0.28226%0.255SS..THydrogen-bonded Turntrans-83.9-1.3178.4-151.4-103.4000113.9L32 R36 I39 F64 L65 L66L32-Y68 HydrophobicContact CB-CD1 4.42Å; L32-Y68 HydrophobicContact CB-CE1 3.86Å; L32-Y68 HydrophobicContact CD1-CD1 4.21Å; L32-Y68 HydrophobicContact CD1-CE1 4.46Å; L32-Y68 HydrophobicContact CD2-CD1 4.15Å; L32-Y68 HydrophobicContact CD2-CE1 4Å; L32-Y68 HydrophobicContact CG-CE1 4.33Å; L32-Y68 PolarHBondContact O-OH 3.27Å; R36-Y68 HydrophobicContact CG-CE1 3.99Å; I39-Y68 HydrophobicContact CB-CD1 4.37Å; I39-Y68 HydrophobicContact CD1-CD1 4Å; I39-Y68 HydrophobicContact CG1-CD1 4.09Å; F64-Y68 HydrophobicContact CZ-CD2 4.06Å; F64-Y68 HydrophobicContact CZ-CG 4.5Å; F64-Y68 WeakPolarHBondContact O-CB 3.38Å; F64-Y68 PolarHBondContact O-N 3.45Å; L65-Y68 CarbonylContact O-C 3.32Å; L65-Y68 PolarHBondContact O-N 3.36Å; L66-Y68 PolarHBondContact O-N 3.38Å
69G97.4Very high97.7Very high46 Ų4648.7 Ų48.747%0.47426%0.262SS..THydrogen-bonded Turntrans9526.8174.700000115.1N40 L65 L66 K67N40-G69 PolarHBondContact ND2-O 3.35Å; L65-G69 PolarHBondContact O-N 2.91Å; L66-G69 PolarHBondContact O-N 2.88Å; L66-G69 VanDerWaalsContact O-N 3.1Å; K67-G69 VanDerWaalsContact C-N 3.3Å
70A98.3Very high97.8Very high10 Ų1047.4 Ų47.48%0.08326%0.26CS..  trans-61.2137.916900000111.1I39 L50 L65 V72I39-A70 HydrophobicContact CD1-CB 3.91Å; I39-A70 HydrophobicContact CG1-CB 4.11Å; L50-A70 HydrophobicContact CB-CB 4.12Å; L50-A70 HydrophobicContact CD2-CB 4.1Å; L65-A70 HydrophobicContact CB-CB 4.03Å; L65-A70 WeakPolarHBondContact O-CB 3.29Å; L65-A70 PolarHBondContact O-N 3.34Å; A70-V72 PolarHBondContact O-N 3.19Å; A70-V72 VanDerWaalsContact O-N 3.07Å
71N98.2Very high97.8Very high82 Ų8246 Ų4644%0.43925%0.246SC..  trans-71.6103.6176.7-179.22.4000110.7N40 N73 S74N40-N71 PolarHBondContact OD1-N 3.4Å; N71-N73 PolarHBondContact O-N 2.69Å; N71-N73 PolarHBondContact OD1-N 3.05Å; N71-S74 PolarHBondContact O-N 3.17Å; N71-S74 PolarHBondContact OD1-N 2.93Å
72V98.4Very high97.8Very high17 Ų1746.1 Ų46.110%0.10325%0.247CC..THydrogen-bonded Turntrans-58.7-32.6179.768.80000113.5L66 A70 L99 A104L66-V72 HydrophobicContact CD2-CB 4.01Å; L66-V72 HydrophobicContact CD2-CG2 4.08Å; A70-V72 PolarHBondContact O-N 3.19Å; A70-V72 VanDerWaalsContact O-N 3.07Å; V72-L99 HydrophobicContact CG2-CD2 3.87Å; V72-A104 HydrophobicContact CG2-CB 3.83Å
73N98.3Very high97.8Very high32 Ų3246.2 Ų46.217%0.17125%0.248CC..THydrogen-bonded Turntrans-105.323.2-176.1-66.9-48.3000112.1N71 S75 G103 A104 R105N71-N73 PolarHBondContact O-N 2.69Å; N71-N73 PolarHBondContact OD1-N 3.05Å; N73-S75 PolarHBondContact O-N 3.43Å; N73-G103 PolarHBondContact ND2-O 3.38Å; N73-A104 WeakPolarHBondContact OD1-CA 3.39Å; N73-R105 PolarHBondContact OD1-N 3.19Å
74S97.4Very high97.8Very high20 Ų2042.7 Ų42.714%0.1423%0.231CC..  trans-61.3128.5173.3-176.60000110.8Q51 N71 S76Q51-S74 PolarHBondContact NE2-O 2.92Å; N71-S74 PolarHBondContact O-N 3.17Å; N71-S74 PolarHBondContact OD1-N 2.93Å; S74-S76 PolarHBondContact OG-N 3Å; S74-S76 PolarHBondContact OG-OG 3.06Å; S74-S76 VanDerWaalsContact OG-OG 3.07Å
75S95.9Very high97.8Very high74 Ų7440.8 Ų40.852%0.51722%0.223SC..  trans-115.623.717566.80000111.9N73 H77N73-S75 PolarHBondContact O-N 3.43Å; S75-H77 PolarHBondContact O-N 3.27Å
76S94.5Very high97.8Very high48 Ų4841.5 Ų41.534%0.33623%0.226SC..  trans-66.1-18.9-176.656.50000114.4G46 S74G46-S76 WeakPolarHBondContact CA-O 3.41Å; G46-S76 CarbonylContact O-C 3.52Å; G46-S76 PolarHBondContact O-OG 3.09Å; S74-S76 PolarHBondContact OG-N 3Å; S74-S76 PolarHBondContact OG-OG 3.06Å; S74-S76 VanDerWaalsContact OG-OG 3.07Å
77H97.8Very high97.8Very high28 Ų2841.1 Ų41.113%0.1322%0.224CC..SBendtrans-58.2142.1177.8-179.5-111.1000110.3E45 G46 S75 Q79 G80 Y81E45-H77 WeakPolarHBondContact O-CA 3.48Å; E45-H77 PolarHBondContact O-CD2 2.73Å; G46-H77 WeakPolarHBondContact O-CA 3.35Å; G46-H77 PolarHBondContact O-N 3.05Å; S75-H77 PolarHBondContact O-N 3.27Å; H77-Q79 PolarHBondContact ND1-N 3.46Å; H77-Q79 PolarHBondContact O-N 3.36Å; H77-G80 WeakPolarHBondContact O-CA 3.44Å; H77-G80 PolarHBondContact O-N 3.37Å; H77-Y81 AromaticContact ND1-CG 3.65Å
78K97.2Very high97.8Very high130 Ų13034.8 Ų34.857%0.56520%0.196SC*.THydrogen-bonded Turntrans-55.3-27.9-176.1-75.9-175.3-168155.90114.9K44 E45K44-K78 WeakPolarHBondContact O-CE 2.91Å; K44-K78 PolarHBondContact O-NZ 2.95Å; E45-K78 WeakPolarHBondContact O-CG 3.47Å; E45-K78 PolarHBondContact O-N 3Å; E45-K78 IonicContact OE1-NZ 2.69Å; E45-K78 PolarHBondContact OE1-NZ 3.45Å; E45-K78 VanDerWaalsContact OE2-CD 3.24Å; E45-K78 WeakPolarHBondContact OE2-CD 3.39Å; E45-K78 WeakPolarHBondContact OE2-CE 3.44Å; E45-K78 IonicContact OE2-NZ 3.66Å; E45-K78 PolarHBondContact OE2-NZ 3.35Å
79Q97.1Very high97.8Very high92 Ų9233.4 Ų33.443%0.4319%0.194SC..THydrogen-bonded Turntrans-94.36.5175.7-61.9-179.5-31.600113.4H77 Y81 N110 S111H77-Q79 PolarHBondContact ND1-N 3.46Å; H77-Q79 PolarHBondContact O-N 3.36Å; Q79-Y81 VanDerWaalsContact C-N 3.32Å; Q79-Y81 HydrophobicContact CB-CD1 3.69Å; Q79-Y81 HydrophobicContact CB-CE1 3.61Å; Q79-Y81 HydrophobicContact CB-CG 4.44Å; Q79-Y81 PolarHBondContact O-N 3.3Å; Q79-Y81 VanDerWaalsContact OE1-CZ 3.24Å; Q79-Y81 PolarHBondContact OE1-OH 3.07Å; Q79-N110 VanDerWaalsContact O-CB 3.3Å; Q79-N110 WeakPolarHBondContact O-CB 3.3Å; Q79-S111 PolarHBondContact O-N 3.05Å; Q79-S111 PolarHBondContact O-OG 2.91Å
80G97.6Very high97.7Very high19 Ų1933.2 Ų33.220%0.19619%0.185CC..  trans69.126.6-175.900000113.7H77H77-G80 WeakPolarHBondContact O-CA 3.44Å; H77-G80 PolarHBondContact O-N 3.37Å
81Y98.3Very high97.5Very high38 Ų3833.9 Ų33.915%0.14919%0.193CC..  trans-75.5129.9-179.1-74.214.5000110.2Q51 H77 Q79 M85 F86 L89 N110 M119Q51-Y81 PolarHBondContact NE2-O 3.36Å; H77-Y81 AromaticContact ND1-CG 3.65Å; Q79-Y81 VanDerWaalsContact C-N 3.32Å; Q79-Y81 HydrophobicContact CB-CD1 3.69Å; Q79-Y81 HydrophobicContact CB-CE1 3.61Å; Q79-Y81 HydrophobicContact CB-CG 4.44Å; Q79-Y81 PolarHBondContact O-N 3.3Å; Q79-Y81 VanDerWaalsContact OE1-CZ 3.24Å; Q79-Y81 PolarHBondContact OE1-OH 3.07Å; Y81-M85 HydrophobicContact CD1-SD 4.32Å; Y81-F86 VanDerWaalsContact CB-CE2 3.42Å; Y81-F86 HydrophobicContact CD2-CD1 4.43Å; Y81-F86 AromaticContact CD2-CE1 3.88Å; Y81-F86 HydrophobicContact CD2-CE1 3.88Å; Y81-F86 HydrophobicContact CD2-CE2 4.07Å; Y81-F86 AromaticContact CD2-CZ 3.68Å; Y81-F86 HydrophobicContact CD2-CZ 3.68Å; Y81-F86 HydrophobicContact CG-CE2 4.27Å; Y81-F86 HydrophobicContact CG-CZ 4.24Å; Y81-L89 HydrophobicContact CE2-CD1 4.08Å; Y81-N110 HydrophobicContact CD1-CB 3.58Å; Y81-N110 HydrophobicContact CE1-CB 3.68Å; Y81-N110 WeakPolarHBondContact CE1-ND2 3.46Å; Y81-M119 HydrophobicContact CD1-CE 4.37Å; Y81-M119 HydrophobicContact CD2-CE 3.92Å; Y81-M119 HydrophobicContact CE1-CE 3.92Å; Y81-M119 HydrophobicContact CE1-SD 4.41Å; Y81-M119 HydrophobicContact CE2-CE 3.39Å; Y81-M119 HydrophobicContact CG-CE 4.38Å
82T98.5Very high97.3Very high3 Ų331.8 Ų31.82%0.01818%0.182CC..  trans-88.8168173.367.30000111.2L84 M85 F86 D108T82-L84 PolarHBondContact O-N 3.29Å; T82-M85 HydrophobicContact CG2-CE 4.29Å; T82-M85 HydrophobicContact CG2-SD 4.47Å; T82-M85 PolarHBondContact N-SD 3.13Å; T82-M85 PolarHBondContact O-N 2.95Å; T82-M85 VanDerWaalsContact O-N 3.16Å; T82-M85 WeakPolarHBondContact OG1-CG 3.2Å; T82-M85 PolarHBondContact OG1-N 2.86Å; T82-F86 WeakPolarHBondContact O-CD2 3.24Å; T82-F86 PolarHBondContact O-N 2.82Å; T82-D108 HydrophobicContact CG2-CB 4.14Å
83A98.7Very high97.1Very high2 Ų233.7 Ų33.72%0.01719%0.191CC..Hα-helixtrans-57-39.1173.800000112L50 Q51 M85 F86 A87 L99L50-A83 HydrophobicContact CD2-CB 3.94Å; L50-A83 HydrophobicContact CG-CB 3.97Å; Q51-A83 HydrophobicContact CG-CB 4.43Å; A83-M85 VanDerWaalsContact C-N 3.34Å; A83-M85 PolarHBondContact O-N 3.07Å; A83-F86 PolarHBondContact O-N 2.86Å; A83-A87 WeakPolarHBondContact O-CB 3.32Å; A83-A87 PolarHBondContact O-N 2.82Å; A83-L99 HydrophobicContact CB-CD1 4.17Å; A83-L99 HydrophobicContact CB-CD2 3.9Å
84L98.8Very high96.9Very high1 Ų137.6 Ų37.61%0.00521%0.208CC..Hα-helixtrans-63.2-37.7177.2-172.963.9000112.3T82 A87 A88 V96 L99 L100 A104 I106 A116 I132T82-L84 PolarHBondContact O-N 3.29Å; L84-A87 PolarHBondContact O-N 3.04Å; L84-A88 WeakPolarHBondContact O-CB 3.4Å; L84-A88 PolarHBondContact O-N 2.92Å; L84-V96 HydrophobicContact CD1-CG1 3.89Å; L84-L99 HydrophobicContact CB-CD1 4.49Å; L84-L99 HydrophobicContact CD1-CB 4.33Å; L84-L99 HydrophobicContact CD1-CD1 4.41Å; L84-L100 HydrophobicContact CD1-CD2 4.21Å; L84-L100 HydrophobicContact CD1-CG 4.33Å; L84-L100 HydrophobicContact CD2-CD2 4.15Å; L84-A104 HydrophobicContact CB-CB 4.13Å; L84-A104 HydrophobicContact CD1-CB 4.43Å; L84-A104 HydrophobicContact CD2-CB 4.17Å; L84-A104 HydrophobicContact CG-CB 4.47Å; L84-I106 HydrophobicContact CD2-CG2 4.11Å; L84-A116 HydrophobicContact CB-CB 4.28Å; L84-A116 HydrophobicContact CD2-CB 3.94Å; L84-A116 HydrophobicContact CG-CB 3.66Å; L84-I132 HydrophobicContact CD1-CD1 4.29Å; L84-I132 HydrophobicContact CG-CD1 4.43Å
85M98.6Very high97Very high0 Ų036.7 Ų36.70%020%0.202CC..Hα-helixtrans-65.7-42175.4-69171.2-17200112.2Y81 T82 A83 A88 L89 D108 N110 A116 M119Y81-M85 HydrophobicContact CD1-SD 4.32Å; T82-M85 HydrophobicContact CG2-CE 4.29Å; T82-M85 HydrophobicContact CG2-SD 4.47Å; T82-M85 PolarHBondContact N-SD 3.13Å; T82-M85 PolarHBondContact O-N 2.95Å; T82-M85 VanDerWaalsContact O-N 3.16Å; T82-M85 WeakPolarHBondContact OG1-CG 3.2Å; T82-M85 PolarHBondContact OG1-N 2.86Å; A83-M85 VanDerWaalsContact C-N 3.34Å; A83-M85 PolarHBondContact O-N 3.07Å; M85-A88 WeakPolarHBondContact O-CB 3.44Å; M85-A88 PolarHBondContact O-N 3.31Å; M85-L89 WeakPolarHBondContact O-CG 3.37Å; M85-L89 PolarHBondContact O-N 2.87Å; M85-D108 HydrophobicContact CE-CB 4.44Å; M85-D108 WeakPolarHBondContact CE-O 3.34Å; M85-N110 HydrophobicContact CE-CB 4.23Å; M85-N110 HydrophobicContact SD-CB 3.88Å; M85-A116 HydrophobicContact CG-CB 3.9Å; M85-M119 HydrophobicContact CB-CE 4.18Å; M85-M119 HydrophobicContact CB-SD 3.7Å; M85-M119 HydrophobicContact CG-SD 3.68Å; M85-M119 HydrophobicContact SD-SD 3.92Å
86F98.5Very high97.1Very high16 Ų1633.1 Ų33.17%0.0718%0.177CC..Hα-helixtrans-67-41.7175.5-80-68.5000112.6L47 Q51 C54 F55 Y81 T82 A83 A88 L89 S90L47-F86 HydrophobicContact CD1-CD2 4.29Å; L47-F86 HydrophobicContact CD1-CE1 4.14Å; L47-F86 HydrophobicContact CD1-CE2 3.43Å; L47-F86 VanDerWaalsContact CD1-CE2 3.43Å; L47-F86 HydrophobicContact CD1-CZ 3.34Å; Q51-F86 HydrophobicContact CB-CD2 3.64Å; Q51-F86 HydrophobicContact CB-CE2 3.85Å; Q51-F86 HydrophobicContact CG-CD2 3.87Å; Q51-F86 HydrophobicContact CG-CE2 4.07Å; C54-F86 HydrophobicContact CB-CB 4.25Å; F55-F86 HydrophobicContact CB-CB 4Å; F55-F86 HydrophobicContact CB-CD1 3.73Å; F55-F86 HydrophobicContact CB-CG 4.14Å; F55-F86 AromaticContact CD2-CD1 3.8Å; F55-F86 HydrophobicContact CD2-CD1 3.8Å; F55-F86 AromaticContact CG-CD1 3.92Å; F55-F86 HydrophobicContact CG-CD1 3.92Å; Y81-F86 VanDerWaalsContact CB-CE2 3.42Å; Y81-F86 HydrophobicContact CD2-CD1 4.43Å; Y81-F86 AromaticContact CD2-CE1 3.88Å; Y81-F86 HydrophobicContact CD2-CE1 3.88Å; Y81-F86 HydrophobicContact CD2-CE2 4.07Å; Y81-F86 AromaticContact CD2-CZ 3.68Å; Y81-F86 HydrophobicContact CD2-CZ 3.68Å; Y81-F86 HydrophobicContact CG-CE2 4.27Å; Y81-F86 HydrophobicContact CG-CZ 4.24Å; T82-F86 WeakPolarHBondContact O-CD2 3.24Å; T82-F86 PolarHBondContact O-N 2.82Å; A83-F86 PolarHBondContact O-N 2.86Å; F86-A88 VanDerWaalsContact C-N 3.29Å; F86-A88 PolarHBondContact O-N 3.12Å; F86-L89 PolarHBondContact O-N 2.73Å; F86-S90 PolarHBondContact O-N 2.76Å
87A98.6Very high97.1Very high0 Ų035.5 Ų35.50%018%0.183CC..Hα-helixtrans-59.9-42.1172.600000111.2C54 A83 L84 L89 S90 G91 V95 V96 L99C54-A87 HydrophobicContact CB-CB 4.19Å; A83-A87 WeakPolarHBondContact O-CB 3.32Å; A83-A87 PolarHBondContact O-N 2.82Å; L84-A87 PolarHBondContact O-N 3.04Å; A87-L89 PolarHBondContact O-N 3.37Å; A87-S90 PolarHBondContact O-N 3.05Å; A87-S90 VanDerWaalsContact O-N 3.15Å; A87-S90 PolarHBondContact O-OG 3.11Å; A87-G91 PolarHBondContact O-N 2.94Å; A87-G91 VanDerWaalsContact O-N 3.12Å; A87-V95 HydrophobicContact CB-CB 4.46Å; A87-V95 HydrophobicContact CB-CG1 3.64Å; A87-V96 HydrophobicContact CB-CG2 3.74Å; A87-L99 HydrophobicContact CB-CD1 3.59Å
88A98Very high97.1Very high0 Ų035.6 Ų35.60%018%0.184CC..Hα-helixtrans-63.2-39.9177.300000113.7L84 M85 F86 G91 A116 A120 N125 V128 I132L84-A88 WeakPolarHBondContact O-CB 3.4Å; L84-A88 PolarHBondContact O-N 2.92Å; M85-A88 WeakPolarHBondContact O-CB 3.44Å; M85-A88 PolarHBondContact O-N 3.31Å; F86-A88 VanDerWaalsContact C-N 3.29Å; F86-A88 PolarHBondContact O-N 3.12Å; A88-G91 PolarHBondContact O-N 3.1Å; A88-A116 HydrophobicContact CB-CB 4.09Å; A88-A116 VanDerWaalsContact CB-O 3.3Å; A88-A116 WeakPolarHBondContact CB-O 3.48Å; A88-A120 HydrophobicContact CB-CB 3.97Å; A88-N125 PolarHBondContact O-ND2 2.81Å; A88-V128 HydrophobicContact CB-CG1 4.07Å; A88-I132 HydrophobicContact CB-CD1 4.39Å
89L97.6Very high97.2Very high43 Ų4329.4 Ų29.423%0.22516%0.157CC..Hα-helixtrans-65.5-37.3171.9-71.4173.6000112.4Y81 M85 F86 A87 G91 M119 V123 N125Y81-L89 HydrophobicContact CE2-CD1 4.08Å; M85-L89 WeakPolarHBondContact O-CG 3.37Å; M85-L89 PolarHBondContact O-N 2.87Å; F86-L89 PolarHBondContact O-N 2.73Å; A87-L89 PolarHBondContact O-N 3.37Å; L89-G91 VanDerWaalsContact C-N 3.27Å; L89-G91 PolarHBondContact O-N 2.98Å; L89-M119 HydrophobicContact CD1-CE 3.51Å; L89-M119 HydrophobicContact CD2-CB 4.11Å; L89-M119 HydrophobicContact CD2-CE 3.97Å; L89-M119 HydrophobicContact CG-CB 4.45Å; L89-M119 HydrophobicContact CG-CE 3.76Å; L89-V123 HydrophobicContact CD2-CG1 3.73Å; L89-V123 HydrophobicContact CD2-CG2 4.42Å; L89-N125 PolarHBondContact O-ND2 3.22Å
90S96.3Very high97.2Very high42 Ų4225 Ų2529%0.29414%0.137SC..Hα-helixtrans-69.8-23.2179.580.30000113.7F86 A87 N92F86-S90 PolarHBondContact O-N 2.76Å; A87-S90 PolarHBondContact O-N 3.05Å; A87-S90 VanDerWaalsContact O-N 3.15Å; A87-S90 PolarHBondContact O-OG 3.11Å; S90-N92 PolarHBondContact O-N 2.89Å; S90-N92 WeakPolarHBondContact OG-CB 3.32Å; S90-N92 PolarHBondContact OG-N 3.18Å
91G93.8Very high97.1Very high24 Ų2431 Ų3125%0.24716%0.159CC..THydrogen-bonded Turntrans765.7-177.200000114.5A87 A88 L89 I93 N125A87-G91 PolarHBondContact O-N 2.94Å; A87-G91 VanDerWaalsContact O-N 3.12Å; A88-G91 PolarHBondContact O-N 3.1Å; L89-G91 VanDerWaalsContact C-N 3.27Å; L89-G91 PolarHBondContact O-N 2.98Å; G91-I93 PolarHBondContact O-N 3.3Å; G91-N125 WeakPolarHBondContact CA-ND2 3.27Å; G91-N125 PolarHBondContact N-ND2 2.91Å
92N93.9Very high97Very high38 Ų3833 Ų3320%0.20317%0.167CC..  trans-78.1102.3-179.3-171-39.2000111.1G57 S90 E94 V95 V96G57-N92 PolarHBondContact O-ND2 2.95Å; S90-N92 PolarHBondContact O-N 2.89Å; S90-N92 WeakPolarHBondContact OG-CB 3.32Å; S90-N92 PolarHBondContact OG-N 3.18Å; N92-E94 PolarHBondContact OD1-N 3.47Å; N92-V95 HydrophobicContact CB-CB 4.13Å; N92-V95 HydrophobicContact CB-CG2 4.13Å; N92-V95 PolarHBondContact O-N 2.97Å; N92-V95 PolarHBondContact OD1-N 3.29Å; N92-V95 VanDerWaalsContact OD1-N 3.08Å; N92-V96 WeakPolarHBondContact O-CG2 3.44Å; N92-V96 PolarHBondContact O-N 3.37Å; N92-V96 VanDerWaalsContact O-N 3.16Å
93I93Very high96.9Very high57 Ų5734.3 Ų34.329%0.29218%0.181SC..Hα-helixtrans-60.8-44.8-178-60.9174.4000111.5G91 V95 V96 E97 N127 V128 L131G91-I93 PolarHBondContact O-N 3.3Å; I93-V95 VanDerWaalsContact C-N 3.31Å; I93-V95 PolarHBondContact O-N 3.04Å; I93-V96 WeakPolarHBondContact O-CB 3.14Å; I93-V96 PolarHBondContact O-N 3.02Å; I93-E97 HydrophobicContact CG2-CG 4.29Å; I93-E97 WeakPolarHBondContact O-CG 3.33Å; I93-E97 PolarHBondContact O-N 3.48Å; I93-N127 HydrophobicContact CD1-CB 3.61Å; I93-N127 HydrophobicContact CG1-CB 4.34Å; I93-V128 HydrophobicContact CG1-CG2 4.11Å; I93-L131 HydrophobicContact CG2-CD2 3.99Å
94E95.6Very high96.9Very high115 Ų11534.2 Ų34.254%0.53718%0.18SC..Hα-helixtrans-62.9-39.1-177-60.2172.2155.100111.4L59 N92 L98L59-E94 HydrophobicContact CD1-CB 4.14Å; L59-E94 HydrophobicContact CD2-CB 3.94Å; L59-E94 WeakPolarHBondContact CD2-OE2 3.26Å; N92-E94 PolarHBondContact OD1-N 3.47Å; E94-L98 VanDerWaalsContact O-CB 3.32Å; E94-L98 WeakPolarHBondContact O-CB 3.32Å; E94-L98 PolarHBondContact O-N 3.32Å
95V98.4Very high96.7Very high0 Ų041 Ų410%021%0.206CC..Hα-helixtrans-66.2-40.3174.3172.20000110.9C54 L59 V62 A87 N92 I93 L98 L99C54-V95 HydrophobicContact CB-CG1 4.18Å; L59-V95 HydrophobicContact CB-CG2 4.15Å; L59-V95 HydrophobicContact CD1-CG2 4.02Å; V62-V95 HydrophobicContact CG1-CG1 4.27Å; V62-V95 HydrophobicContact CG2-CG1 4.16Å; V62-V95 HydrophobicContact CG2-CG2 4.38Å; A87-V95 HydrophobicContact CB-CB 4.46Å; A87-V95 HydrophobicContact CB-CG1 3.64Å; N92-V95 HydrophobicContact CB-CB 4.13Å; N92-V95 HydrophobicContact CB-CG2 4.13Å; N92-V95 PolarHBondContact O-N 2.97Å; N92-V95 PolarHBondContact OD1-N 3.29Å; N92-V95 VanDerWaalsContact OD1-N 3.08Å; I93-V95 VanDerWaalsContact C-N 3.31Å; I93-V95 PolarHBondContact O-N 3.04Å; V95-L98 PolarHBondContact O-N 2.92Å; V95-L99 HydrophobicContact CG1-CD1 4.12Å; V95-L99 HydrophobicContact CG1-CG 4.49Å; V95-L99 VanDerWaalsContact O-CG 3.27Å; V95-L99 WeakPolarHBondContact O-CG 3.37Å; V95-L99 PolarHBondContact O-N 2.98Å
96V98Very high96.5Very high0 Ų043 Ų430%022%0.216CC..Hα-helixtrans-64.1-48.9176.9173.30000110.8L84 A87 N92 I93 L98 L99 L100 V128 L131 I132L84-V96 HydrophobicContact CD1-CG1 3.89Å; A87-V96 HydrophobicContact CB-CG2 3.74Å; N92-V96 WeakPolarHBondContact O-CG2 3.44Å; N92-V96 PolarHBondContact O-N 3.37Å; N92-V96 VanDerWaalsContact O-N 3.16Å; I93-V96 WeakPolarHBondContact O-CB 3.14Å; I93-V96 PolarHBondContact O-N 3.02Å; V96-L98 VanDerWaalsContact C-N 3.28Å; V96-L98 PolarHBondContact O-N 3.31Å; V96-L99 PolarHBondContact O-N 3.38Å; V96-L100 HydrophobicContact CG1-CD1 3.88Å; V96-L100 HydrophobicContact CG1-CG 4.33Å; V96-L100 VanDerWaalsContact O-CG 3.26Å; V96-L100 WeakPolarHBondContact O-CG 3.23Å; V96-L100 PolarHBondContact O-N 3.19Å; V96-V128 HydrophobicContact CG1-CG1 4.25Å; V96-V128 HydrophobicContact CG2-CG1 3.82Å; V96-V128 HydrophobicContact CG2-CG2 4.26Å; V96-L131 HydrophobicContact CB-CD2 4Å; V96-L131 HydrophobicContact CG1-CD2 3.55Å; V96-L131 HydrophobicContact CG1-CG 4.34Å; V96-I132 HydrophobicContact CG1-CD1 4.14Å; V96-I132 HydrophobicContact CG1-CG1 3.82Å
97E95.8Very high96.2Very high98 Ų9846.9 Ų46.946%0.45824%0.238SC..Hα-helixtrans-56.4-44.2177-71.2-177.1153.300111.6I93 L100 H101 L131I93-E97 HydrophobicContact CG2-CG 4.29Å; I93-E97 WeakPolarHBondContact O-CG 3.33Å; I93-E97 PolarHBondContact O-N 3.48Å; E97-L100 PolarHBondContact O-N 3.13Å; E97-H101 WeakPolarHBondContact O-CB 3.14Å; E97-H101 PolarHBondContact O-N 3.31Å; E97-L131 HydrophobicContact CB-CD2 4.49Å; E97-L131 HydrophobicContact CG-CD1 4.04Å; E97-L131 HydrophobicContact CG-CD2 3.43Å; E97-L131 VanDerWaalsContact CG-CD2 3.43Å; E97-L131 HydrophobicContact CG-CG 4.37Å
98L97.7Very high96Very high29 Ų2949 Ų4915%0.15225%0.249CC..Hα-helixtrans-63.8-44.6178.2-178.363.1000112.1L59 V62 E63 L66 E94 V95 V96 L100 H101 Y102L59-L98 HydrophobicContact CD1-CD2 3.8Å; V62-L98 HydrophobicContact CB-CD2 4.46Å; V62-L98 HydrophobicContact CG1-CD2 3.93Å; E63-L98 HydrophobicContact CB-CD2 3.73Å; E63-L98 HydrophobicContact CG-CD2 4.2Å; L66-L98 HydrophobicContact CD1-CD2 4.09Å; L66-L98 HydrophobicContact CD1-CG 3.83Å; E94-L98 VanDerWaalsContact O-CB 3.32Å; E94-L98 WeakPolarHBondContact O-CB 3.32Å; E94-L98 PolarHBondContact O-N 3.32Å; V95-L98 PolarHBondContact O-N 2.92Å; V96-L98 VanDerWaalsContact C-N 3.28Å; V96-L98 PolarHBondContact O-N 3.31Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 2.97Å; L98-H101 WeakPolarHBondContact O-CB 3.08Å; L98-H101 PolarHBondContact O-N 3.44Å; L98-Y102 HydrophobicContact CD1-CD2 3.89Å; L98-Y102 HydrophobicContact CD1-CE2 3.72Å; L98-Y102 HydrophobicContact CG-CD2 4.38Å; L98-Y102 WeakPolarHBondContact O-CD2 3.3Å; L98-Y102 PolarHBondContact O-N 3.42Å
99L98.7Very high95.9Very high0 Ų052.9 Ų52.90%027%0.272CS..Hα-helixtrans-62.4-42176.7-72.7171.5000111.8L50 V62 L66 V72 A83 L84 A87 V95 V96 H101 Y102 G103 A104L50-L99 HydrophobicContact CD1-CD2 4.48Å; L50-L99 HydrophobicContact CD2-CD2 4.37Å; V62-L99 HydrophobicContact CG1-CD2 4.45Å; L66-L99 HydrophobicContact CD1-CD2 4.15Å; L66-L99 HydrophobicContact CD2-CD2 4.35Å; V72-L99 HydrophobicContact CG2-CD2 3.87Å; A83-L99 HydrophobicContact CB-CD1 4.17Å; A83-L99 HydrophobicContact CB-CD2 3.9Å; L84-L99 HydrophobicContact CB-CD1 4.49Å; L84-L99 HydrophobicContact CD1-CB 4.33Å; L84-L99 HydrophobicContact CD1-CD1 4.41Å; A87-L99 HydrophobicContact CB-CD1 3.59Å; V95-L99 HydrophobicContact CG1-CD1 4.12Å; V95-L99 HydrophobicContact CG1-CG 4.49Å; V95-L99 VanDerWaalsContact O-CG 3.27Å; V95-L99 WeakPolarHBondContact O-CG 3.37Å; V95-L99 PolarHBondContact O-N 2.98Å; V96-L99 PolarHBondContact O-N 3.38Å; L99-H101 VanDerWaalsContact C-N 3.34Å; L99-Y102 CarbonylContact O-C 3.32Å; L99-Y102 PolarHBondContact O-N 3.12Å; L99-Y102 VanDerWaalsContact O-N 3.12Å; L99-G103 PolarHBondContact O-N 2.9Å; L99-A104 HydrophobicContact CB-CB 3.88Å; L99-A104 WeakPolarHBondContact O-CB 3.26Å; L99-A104 PolarHBondContact O-N 2.82Å
100L97.3Very high95.9Very high1 Ų151.2 Ų51.21%0.00526%0.264CS..Hα-helixtrans-62.5-41.5176.3-68.4172.7000111.4L84 V96 E97 L98 Y102 G103 I106 L131 Y135L84-L100 HydrophobicContact CD1-CD2 4.21Å; L84-L100 HydrophobicContact CD1-CG 4.33Å; L84-L100 HydrophobicContact CD2-CD2 4.15Å; V96-L100 HydrophobicContact CG1-CD1 3.88Å; V96-L100 HydrophobicContact CG1-CG 4.33Å; V96-L100 VanDerWaalsContact O-CG 3.26Å; V96-L100 WeakPolarHBondContact O-CG 3.23Å; V96-L100 PolarHBondContact O-N 3.19Å; E97-L100 PolarHBondContact O-N 3.13Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 2.97Å; L100-Y102 PolarHBondContact O-N 3.11Å; L100-G103 PolarHBondContact O-N 3.32Å; L100-I106 HydrophobicContact CD2-CG2 3.39Å; L100-L131 HydrophobicContact CD1-CD2 4.38Å; L100-L131 HydrophobicContact CD1-CG 4.17Å; L100-Y135 HydrophobicContact CB-CD1 4.26Å; L100-Y135 HydrophobicContact CB-CD2 4.09Å; L100-Y135 HydrophobicContact CB-CE1 3.9Å; L100-Y135 HydrophobicContact CB-CE2 3.75Å; L100-Y135 HydrophobicContact CB-CG 4.34Å; L100-Y135 HydrophobicContact CD1-CD1 4.33Å; L100-Y135 HydrophobicContact CD1-CD2 3.81Å; L100-Y135 HydrophobicContact CD1-CE2 4.32Å; L100-Y135 HydrophobicContact CD1-CG 3.81Å; L100-Y135 HydrophobicContact CD2-CD1 3.85Å; L100-Y135 HydrophobicContact CD2-CE1 4.12Å; L100-Y135 HydrophobicContact CD2-CG 4.17Å; L100-Y135 HydrophobicContact CG-CD1 4.37Å; L100-Y135 HydrophobicContact CG-CD2 4.42Å; L100-Y135 HydrophobicContact CG-CE1 4.47Å; L100-Y135 HydrophobicContact CG-CG 4.33Å; L100-Y135 PolarHBondContact O-OH 3.46Å
101H95Very high96Very high143 Ų14353.4 Ų53.466%0.66228%0.279SS*.Hα-helixtrans-60-33173.3179.668000112.7E97 L98 L99 G103E97-H101 WeakPolarHBondContact O-CB 3.14Å; E97-H101 PolarHBondContact O-N 3.31Å; L98-H101 WeakPolarHBondContact O-CB 3.08Å; L98-H101 PolarHBondContact O-N 3.44Å; L99-H101 VanDerWaalsContact C-N 3.34Å; H101-G103 VanDerWaalsContact C-N 3.29Å; H101-G103 PolarHBondContact O-N 2.88Å
102Y97Very high96.1Very high81 Ų8157.9 Ų57.932%0.31830%0.296SS..THydrogen-bonded Turntrans-86.611.4175.1-86-96.3000114L66 K67 L98 L99 L100L66-Y102 HydrophobicContact CB-CD1 3.85Å; L66-Y102 HydrophobicContact CB-CD2 4.25Å; L66-Y102 HydrophobicContact CB-CE1 3.76Å; L66-Y102 HydrophobicContact CB-CE2 4.16Å; L66-Y102 HydrophobicContact CB-CG 4.09Å; L66-Y102 HydrophobicContact CD1-CD2 3.79Å; L66-Y102 HydrophobicContact CD1-CE2 4.27Å; L66-Y102 HydrophobicContact CD1-CG 3.93Å; L66-Y102 HydrophobicContact CD2-CD1 4.19Å; L66-Y102 HydrophobicContact CD2-CG 4.1Å; L66-Y102 HydrophobicContact CG-CD1 4.41Å; L66-Y102 HydrophobicContact CG-CD2 4.5Å; L66-Y102 HydrophobicContact CG-CG 4.27Å; K67-Y102 WeakPolarHBondContact CG-OH 3.4Å; L98-Y102 HydrophobicContact CD1-CD2 3.89Å; L98-Y102 HydrophobicContact CD1-CE2 3.72Å; L98-Y102 HydrophobicContact CG-CD2 4.38Å; L98-Y102 WeakPolarHBondContact O-CD2 3.3Å; L98-Y102 PolarHBondContact O-N 3.42Å; L99-Y102 CarbonylContact O-C 3.32Å; L99-Y102 PolarHBondContact O-N 3.12Å; L99-Y102 VanDerWaalsContact O-N 3.12Å; L100-Y102 PolarHBondContact O-N 3.11Å
103G96.1Very high96.2Very high30 Ų3058.1 Ų58.131%0.30931%0.307SS..THydrogen-bonded Turntrans81.131.5174.400000114.4N73 L99 L100 H101 R105N73-G103 PolarHBondContact ND2-O 3.38Å; L99-G103 PolarHBondContact O-N 2.9Å; L100-G103 PolarHBondContact O-N 3.32Å; H101-G103 VanDerWaalsContact C-N 3.29Å; H101-G103 PolarHBondContact O-N 2.88Å; G103-R105 PolarHBondContact O-N 3.26Å
104A98Very high96.3Very high1 Ų160 Ų601%0.00831%0.313CS..  trans-63.7126.9170.400000111.3V72 N73 L84 L99 I106V72-A104 HydrophobicContact CG2-CB 3.83Å; N73-A104 WeakPolarHBondContact OD1-CA 3.39Å; L84-A104 HydrophobicContact CB-CB 4.13Å; L84-A104 HydrophobicContact CD1-CB 4.43Å; L84-A104 HydrophobicContact CD2-CB 4.17Å; L84-A104 HydrophobicContact CG-CB 4.47Å; L99-A104 HydrophobicContact CB-CB 3.88Å; L99-A104 WeakPolarHBondContact O-CB 3.26Å; L99-A104 PolarHBondContact O-N 2.82Å; A104-I106 PolarHBondContact O-N 2.84Å
105R95.6Very high96.3Very high144 Ų14455.6 Ų55.654%0.54329%0.294SS..  trans-74.9116.9-178.2-66.5172.4-174.3173.91.7111.3N73 G103 N107 D108N73-R105 PolarHBondContact OD1-N 3.19Å; G103-R105 PolarHBondContact O-N 3.26Å; R105-N107 VanDerWaalsContact C-N 3.32Å; R105-N107 PolarHBondContact O-N 3.31Å; R105-D108 HydrophobicContact CB-CB 4.33Å; R105-D108 WeakPolarHBondContact CD-OD1 3.3Å; R105-D108 WeakPolarHBondContact CD-OD2 3.49Å
106I93.6Very high96.3Very high40 Ų4055.6 Ų55.621%0.20530%0.295CS..THydrogen-bonded Turntrans-73-23.8-178.963.8174.2000113.9L84 L100 A104 I132 Y135L84-I106 HydrophobicContact CD2-CG2 4.11Å; L100-I106 HydrophobicContact CD2-CG2 3.39Å; A104-I106 PolarHBondContact O-N 2.84Å; I106-I132 HydrophobicContact CB-CG2 3.97Å; I106-I132 HydrophobicContact CG2-CG2 3.94Å; I106-Y135 HydrophobicContact CG2-CD1 4.48Å
107N92Very high96.2Very high99 Ų9956 Ų5653%0.52930%0.298SS..THydrogen-bonded Turntrans-98-3.1-174-69-32.6000113.7R105R105-N107 VanDerWaalsContact C-N 3.32Å; R105-N107 PolarHBondContact O-N 3.31Å
108D95.1Very high96.1Very high43 Ų4355.7 Ų55.723%0.2330%0.296CS..  trans-61.5140.8173.6-77.20000109.7T82 M85 R105T82-D108 HydrophobicContact CG2-CB 4.14Å; M85-D108 HydrophobicContact CE-CB 4.44Å; M85-D108 WeakPolarHBondContact CE-O 3.34Å; R105-D108 HydrophobicContact CB-CB 4.33Å; R105-D108 WeakPolarHBondContact CD-OD1 3.3Å; R105-D108 WeakPolarHBondContact CD-OD2 3.49Å
109V96.2Very high96Very high83 Ų8354.8 Ų54.850%0.50329%0.291SS..  trans-118.1143.2-179.7-66.60000111.1K114 T115V109-K114 WeakPolarHBondContact CA-O 3.28Å; V109-T115 HydrophobicContact CG1-CG2 3.74Å
110N96.9Very high95.9Very high7 Ų754.8 Ų54.84%0.03729%0.291CS..  trans-75.5-177.5172.468.714.9000111.6Q79 Y81 M85 I112 G113 K114 M119Q79-N110 VanDerWaalsContact O-CB 3.3Å; Q79-N110 WeakPolarHBondContact O-CB 3.3Å; Y81-N110 HydrophobicContact CD1-CB 3.58Å; Y81-N110 HydrophobicContact CE1-CB 3.68Å; Y81-N110 WeakPolarHBondContact CE1-ND2 3.46Å; M85-N110 HydrophobicContact CE-CB 4.23Å; M85-N110 HydrophobicContact SD-CB 3.88Å; N110-I112 PolarHBondContact O-N 3.18Å; N110-I112 WeakPolarHBondContact OD1-CG1 3.38Å; N110-I112 PolarHBondContact OD1-N 2.93Å; N110-I112 VanDerWaalsContact OD1-N 3.09Å; N110-G113 PolarHBondContact O-N 3.18Å; N110-G113 PolarHBondContact OD1-N 3.43Å; N110-K114 PolarHBondContact N-O 3.29Å; N110-K114 PolarHBondContact OD1-N 2.94Å; N110-M119 PolarHBondContact ND2-SD 3.32Å
111S97.5Very high95.6Very high88 Ų8857 Ų5762%0.61531%0.31SS*.THydrogen-bonded Turntrans-61.1-17.3-177.662.60000115.2Q79Q79-S111 PolarHBondContact O-N 3.05Å; Q79-S111 PolarHBondContact O-OG 2.91Å
112I96Very high95.6Very high118 Ų11858.9 Ų58.961%0.60532%0.316SS*.THydrogen-bonded Turntrans-104.914.5176.260164.7000112.5N110 K114N110-I112 PolarHBondContact O-N 3.18Å; N110-I112 WeakPolarHBondContact OD1-CG1 3.38Å; N110-I112 PolarHBondContact OD1-N 2.93Å; N110-I112 VanDerWaalsContact OD1-N 3.09Å; I112-K114 HydrophobicContact CD1-CG 3.84Å; I112-K114 HydrophobicContact CG1-CB 4.46Å; I112-K114 HydrophobicContact CG1-CG 3.85Å
113G96.1Very high95.5Very high43 Ų4358.2 Ų58.244%0.44332%0.32SS..SBendtrans7426.2175.600000114.3N110N110-G113 PolarHBondContact O-N 3.18Å; N110-G113 PolarHBondContact OD1-N 3.43Å
114K96.3Very high95.3Very high96 Ų9658.5 Ų58.542%0.41732%0.323SS..  trans-104.6133.7179.9-56.6-64.1178.5-174.70112.5V109 N110 I112 Q118 M119V109-K114 WeakPolarHBondContact CA-O 3.28Å; N110-K114 PolarHBondContact N-O 3.29Å; N110-K114 PolarHBondContact OD1-N 2.94Å; I112-K114 HydrophobicContact CD1-CG 3.84Å; I112-K114 HydrophobicContact CG1-CB 4.46Å; I112-K114 HydrophobicContact CG1-CG 3.85Å; K114-Q118 VanDerWaalsContact CA-OE1 3.25Å; K114-Q118 HydrophobicContact CB-CB 4.46Å; K114-Q118 HydrophobicContact CD-CB 4.39Å; K114-M119 HydrophobicContact CB-CG 4.2Å
115T96.1Very high94.9Very high23 Ų2360.4 Ų60.414%0.14133%0.334CS..  trans-82.7165.8172.566.50000111.7V109 S117 Q118 M119V109-T115 HydrophobicContact CG1-CG2 3.74Å; T115-S117 VanDerWaalsContact C-N 3.29Å; T115-S117 PolarHBondContact O-N 3.39Å; T115-Q118 VanDerWaalsContact N-OE1 3.15Å; T115-Q118 PolarHBondContact O-N 2.95Å; T115-Q118 VanDerWaalsContact O-N 3.15Å; T115-Q118 WeakPolarHBondContact OG1-CG 3.06Å; T115-Q118 PolarHBondContact OG1-N 3.42Å; T115-M119 WeakPolarHBondContact O-CG 3.44Å; T115-M119 PolarHBondContact O-N 3.3Å
116A97.5Very high94.5Very high1 Ų158.5 Ų58.51%0.00833%0.33CS..Hα-helixtrans-57.5-40.617600000112.9L84 M85 A88 Q118 M119 A120 I132L84-A116 HydrophobicContact CB-CB 4.28Å; L84-A116 HydrophobicContact CD2-CB 3.94Å; L84-A116 HydrophobicContact CG-CB 3.66Å; M85-A116 HydrophobicContact CG-CB 3.9Å; A88-A116 HydrophobicContact CB-CB 4.09Å; A88-A116 VanDerWaalsContact CB-O 3.3Å; A88-A116 WeakPolarHBondContact CB-O 3.48Å; A116-Q118 PolarHBondContact O-N 2.79Å; A116-M119 PolarHBondContact O-N 3.19Å; A116-A120 PolarHBondContact O-N 2.75Å; A116-I132 HydrophobicContact CB-CD1 4.07Å
117S94.9Very high94.2Very high9 Ų960.8 Ų60.86%0.06334%0.343CS..Hα-helixtrans-60.8-43.7175.3-179.40000112.1T115 M119 A120 A121 N133T115-S117 VanDerWaalsContact C-N 3.29Å; T115-S117 PolarHBondContact O-N 3.39Å; S117-M119 VanDerWaalsContact C-N 3.31Å; S117-M119 PolarHBondContact O-N 3.31Å; S117-A120 PolarHBondContact O-N 2.89Å; S117-A121 PolarHBondContact O-N 3.09Å; S117-N133 WeakPolarHBondContact CB-OD1 3.31Å; S117-N133 PolarHBondContact OG-ND2 2.85Å; S117-N133 PolarHBondContact OG-OD1 3.37Å
118Q94.2Very high94.1Very high91 Ų9156.1 Ų56.143%0.42532%0.318SS..Hα-helixtrans-66-34.1176.7-69.1172.6-13.900112.5K114 T115 A116 A121 F122K114-Q118 VanDerWaalsContact CA-OE1 3.25Å; K114-Q118 HydrophobicContact CB-CB 4.46Å; K114-Q118 HydrophobicContact CD-CB 4.39Å; T115-Q118 VanDerWaalsContact N-OE1 3.15Å; T115-Q118 PolarHBondContact O-N 2.95Å; T115-Q118 VanDerWaalsContact O-N 3.15Å; T115-Q118 WeakPolarHBondContact OG1-CG 3.06Å; T115-Q118 PolarHBondContact OG1-N 3.42Å; A116-Q118 PolarHBondContact O-N 2.79Å; Q118-A121 PolarHBondContact O-N 3.11Å; Q118-F122 PolarHBondContact O-N 3.33Å
119M96.4Very high93.9Very high10 Ų1054.9 Ų54.95%0.04931%0.312CS..Hα-helixtrans-69.3-42.9175-67.7179.46900112Y81 M85 L89 N110 K114 T115 A116 S117 A121 F122 V123Y81-M119 HydrophobicContact CD1-CE 4.37Å; Y81-M119 HydrophobicContact CD2-CE 3.92Å; Y81-M119 HydrophobicContact CE1-CE 3.92Å; Y81-M119 HydrophobicContact CE1-SD 4.41Å; Y81-M119 HydrophobicContact CE2-CE 3.39Å; Y81-M119 HydrophobicContact CG-CE 4.38Å; M85-M119 HydrophobicContact CB-CE 4.18Å; M85-M119 HydrophobicContact CB-SD 3.7Å; M85-M119 HydrophobicContact CG-SD 3.68Å; M85-M119 HydrophobicContact SD-SD 3.92Å; L89-M119 HydrophobicContact CD1-CE 3.51Å; L89-M119 HydrophobicContact CD2-CB 4.11Å; L89-M119 HydrophobicContact CD2-CE 3.97Å; L89-M119 HydrophobicContact CG-CB 4.45Å; L89-M119 HydrophobicContact CG-CE 3.76Å; N110-M119 PolarHBondContact ND2-SD 3.32Å; K114-M119 HydrophobicContact CB-CG 4.2Å; T115-M119 WeakPolarHBondContact O-CG 3.44Å; T115-M119 PolarHBondContact O-N 3.3Å; A116-M119 PolarHBondContact O-N 3.19Å; S117-M119 VanDerWaalsContact C-N 3.31Å; S117-M119 PolarHBondContact O-N 3.31Å; M119-A121 VanDerWaalsContact C-N 3.3Å; M119-A121 PolarHBondContact O-N 2.7Å; M119-F122 WeakPolarHBondContact O-CB 3.23Å; M119-F122 PolarHBondContact O-N 3.04Å; M119-V123 PolarHBondContact O-N 3.07Å
120A95.2Very high93.6Very high0 Ų051.1 Ų51.10%029%0.289CS..Hα-helixtrans-58.3-42.7171.400000111.6A88 A116 S117 F122 V123 G124 N125 V128 V129A88-A120 HydrophobicContact CB-CB 3.97Å; A116-A120 PolarHBondContact O-N 2.75Å; S117-A120 PolarHBondContact O-N 2.89Å; A120-F122 VanDerWaalsContact C-N 3.34Å; A120-F122 PolarHBondContact O-N 3.38Å; A120-V123 WeakPolarHBondContact O-CG2 3.29Å; A120-V123 PolarHBondContact O-N 2.85Å; A120-G124 PolarHBondContact O-N 3.39Å; A120-G124 VanDerWaalsContact O-N 3.15Å; A120-N125 HydrophobicContact CB-CB 4.01Å; A120-N125 PolarHBondContact O-N 3.42Å; A120-V128 HydrophobicContact CB-CB 4.02Å; A120-V128 HydrophobicContact CB-CG1 3.83Å; A120-V129 HydrophobicContact CB-CG2 3.66Å
121A92.8Very high93.3Very high47 Ų4752.3 Ų52.339%0.38830%0.295SS..Hα-helixtrans-61.9-41.1177.400000112.3S117 Q118 M119 V123 G124 V129S117-A121 PolarHBondContact O-N 3.09Å; Q118-A121 PolarHBondContact O-N 3.11Å; M119-A121 VanDerWaalsContact C-N 3.3Å; M119-A121 PolarHBondContact O-N 2.7Å; A121-V123 VanDerWaalsContact C-N 3.29Å; A121-V123 PolarHBondContact O-N 3.35Å; A121-G124 PolarHBondContact O-N 3.08Å; A121-G124 VanDerWaalsContact O-N 3.14Å; A121-V129 HydrophobicContact CB-CG2 3.81Å
122F94.1Very high93.1Very high182 Ų18248.2 Ų48.280%0.79827%0.267SS*.Hα-helixtrans-60.1-36.6179.4177.2-102.1000113Q118 M119 A120Q118-F122 PolarHBondContact O-N 3.33Å; M119-F122 WeakPolarHBondContact O-CB 3.23Å; M119-F122 PolarHBondContact O-N 3.04Å; A120-F122 VanDerWaalsContact C-N 3.34Å; A120-F122 PolarHBondContact O-N 3.38Å
123V95.2Very high92.8Very high67 Ų6746.2 Ų46.241%0.40626%0.257SS..THydrogen-bonded Turntrans-93.62.7178.4-59.90000113.7L89 M119 A120 A121 N125L89-V123 HydrophobicContact CD2-CG1 3.73Å; L89-V123 HydrophobicContact CD2-CG2 4.42Å; M119-V123 PolarHBondContact O-N 3.07Å; A120-V123 WeakPolarHBondContact O-CG2 3.29Å; A120-V123 PolarHBondContact O-N 2.85Å; A121-V123 VanDerWaalsContact C-N 3.29Å; A121-V123 PolarHBondContact O-N 3.35Å; V123-N125 HydrophobicContact CG2-CB 4.16Å; V123-N125 WeakPolarHBondContact CG2-ND2 3.24Å
124G90.7Very high92.5Very high36 Ų3644.4 Ų44.437%0.37124%0.237SC..THydrogen-bonded Turntrans81.315.4178.900000115.5A120 A121 H126A120-G124 PolarHBondContact O-N 3.39Å; A120-G124 VanDerWaalsContact O-N 3.15Å; A121-G124 PolarHBondContact O-N 3.08Å; A121-G124 VanDerWaalsContact O-N 3.14Å; G124-H126 PolarHBondContact O-CD2 3.27Å; G124-H126 VanDerWaalsContact O-CD2 3.29Å; G124-H126 PolarHBondContact O-N 3.49Å
125N90.9Very high92.3Very high42 Ų4241.4 Ų41.423%0.22522%0.224CC..  trans-80.661.8178.8-69.9-24.5000111.7A88 L89 G91 A120 V123 N127 V128 V129A88-N125 PolarHBondContact O-ND2 2.81Å; L89-N125 PolarHBondContact O-ND2 3.22Å; G91-N125 WeakPolarHBondContact CA-ND2 3.27Å; G91-N125 PolarHBondContact N-ND2 2.91Å; A120-N125 HydrophobicContact CB-CB 4.01Å; A120-N125 PolarHBondContact O-N 3.42Å; V123-N125 HydrophobicContact CG2-CB 4.16Å; V123-N125 WeakPolarHBondContact CG2-ND2 3.24Å; N125-N127 VanDerWaalsContact C-N 3.32Å; N125-N127 PolarHBondContact O-N 3.34Å; N125-V128 HydrophobicContact CB-CB 4.3Å; N125-V128 HydrophobicContact CB-CG2 4.38Å; N125-V128 WeakPolarHBondContact O-CB 3.03Å; N125-V128 PolarHBondContact O-N 3.08Å; N125-V129 PolarHBondContact O-N 2.71Å
126H86.4Confident92.2Very high103 Ų10340.4 Ų40.448%0.47722%0.218SC..Hα-helixtrans-61.3-34.3-169.5-55.4-62.9000114.5G124 V128 V129 T130 T325G124-H126 PolarHBondContact O-CD2 3.27Å; G124-H126 VanDerWaalsContact O-CD2 3.29Å; G124-H126 PolarHBondContact O-N 3.49Å; H126-V128 VanDerWaalsContact C-N 3.27Å; H126-V128 PolarHBondContact O-N 3.37Å; H126-V129 WeakPolarHBondContact O-CB 3.21Å; H126-V129 PolarHBondContact O-N 2.92Å; H126-V129 VanDerWaalsContact O-N 3.16Å; H126-T130 PolarHBondContact O-N 3.34Å; H126-T130 PolarHBondContact O-OG1 3.34Å; H126-T130 VanDerWaalsContact O-OG1 3.08Å; H126-T325 HydrophobicContact CB-CG2 3.48Å; H126-T325 VanDerWaalsContact CB-CG2 3.48Å
127N86.8Confident92Very high88 Ų8844.4 Ų44.447%0.47124%0.236SC..Hα-helixtrans-64.4-34.3176.9-67.4-12.3000112.1I93 N125 T130 L131I93-N127 HydrophobicContact CD1-CB 3.61Å; I93-N127 HydrophobicContact CG1-CB 4.34Å; N125-N127 VanDerWaalsContact C-N 3.32Å; N125-N127 PolarHBondContact O-N 3.34Å; N127-T130 PolarHBondContact O-N 3.42Å; N127-L131 WeakPolarHBondContact O-CB 3.36Å; N127-L131 PolarHBondContact O-N 2.99Å
128V91.2Very high92Very high2 Ų248.3 Ų48.31%0.01225%0.249CC..Hα-helixtrans-69.1-41.3173.8173.60000110.8A88 I93 V96 A120 N125 H126 T130 L131 I132A88-V128 HydrophobicContact CB-CG1 4.07Å; I93-V128 HydrophobicContact CG1-CG2 4.11Å; V96-V128 HydrophobicContact CG1-CG1 4.25Å; V96-V128 HydrophobicContact CG2-CG1 3.82Å; V96-V128 HydrophobicContact CG2-CG2 4.26Å; A120-V128 HydrophobicContact CB-CB 4.02Å; A120-V128 HydrophobicContact CB-CG1 3.83Å; N125-V128 HydrophobicContact CB-CB 4.3Å; N125-V128 HydrophobicContact CB-CG2 4.38Å; N125-V128 WeakPolarHBondContact O-CB 3.03Å; N125-V128 PolarHBondContact O-N 3.08Å; H126-V128 VanDerWaalsContact C-N 3.27Å; H126-V128 PolarHBondContact O-N 3.37Å; V128-T130 VanDerWaalsContact C-N 3.31Å; V128-T130 PolarHBondContact O-N 3.24Å; V128-L131 PolarHBondContact O-N 2.93Å; V128-I132 HydrophobicContact CG1-CD1 3.62Å; V128-I132 HydrophobicContact CG1-CG1 4.19Å; V128-I132 WeakPolarHBondContact O-CG1 3.34Å; V128-I132 PolarHBondContact O-N 3.14Å
129V91Very high92Very high17 Ų1749.8 Ų49.810%0.10326%0.256CS..Hα-helixtrans-55.9-49.9173178.70000110.1A120 A121 N125 H126 L131 I132 N133A120-V129 HydrophobicContact CB-CG2 3.66Å; A121-V129 HydrophobicContact CB-CG2 3.81Å; N125-V129 PolarHBondContact O-N 2.71Å; H126-V129 WeakPolarHBondContact O-CB 3.21Å; H126-V129 PolarHBondContact O-N 2.92Å; H126-V129 VanDerWaalsContact O-N 3.16Å; V129-L131 PolarHBondContact O-N 3.31Å; V129-I132 PolarHBondContact O-N 3.41Å; V129-N133 WeakPolarHBondContact CG1-ND2 3.39Å; V129-N133 VanDerWaalsContact O-CB 3.27Å; V129-N133 WeakPolarHBondContact O-CB 3.46Å; V129-N133 PolarHBondContact O-N 3.46Å; V129-N133 PolarHBondContact O-ND2 3.38Å
130T89.4Confident91.8Very high3 Ų350.6 Ų50.62%0.01826%0.26CS..Hα-helixtrans-58.1-48.2178.5-60.40000111.5H126 N127 V128 N134 L165 N323 T325H126-T130 PolarHBondContact O-N 3.34Å; H126-T130 PolarHBondContact O-OG1 3.34Å; H126-T130 VanDerWaalsContact O-OG1 3.08Å; N127-T130 PolarHBondContact O-N 3.42Å; V128-T130 VanDerWaalsContact C-N 3.31Å; V128-T130 PolarHBondContact O-N 3.24Å; T130-N134 WeakPolarHBondContact O-CB 3.49Å; T130-N134 PolarHBondContact O-N 2.92Å; T130-N134 VanDerWaalsContact O-N 3.08Å; T130-N134 PolarHBondContact O-ND2 2.98Å; T130-L165 HydrophobicContact CG2-CD1 3.55Å; T130-L165 HydrophobicContact CG2-CD2 3.53Å; T130-L165 HydrophobicContact CG2-CG 4.14Å; T130-N323 WeakPolarHBondContact CB-O 3.46Å; T130-N323 HydrophobicContact CG2-CB 3.6Å; T130-N323 PolarHBondContact OG1-O 3.06Å; T130-T325 WeakPolarHBondContact OG1-CG2 3.49Å
131L90.6Very high91.9Very high32 Ų3250.6 Ų50.617%0.16826%0.26CS..Hα-helixtrans-59.3-53.6178.9174.265000111.5I93 V96 E97 L100 N127 V128 V129 N133 N134 Y135I93-L131 HydrophobicContact CG2-CD2 3.99Å; V96-L131 HydrophobicContact CB-CD2 4Å; V96-L131 HydrophobicContact CG1-CD2 3.55Å; V96-L131 HydrophobicContact CG1-CG 4.34Å; E97-L131 HydrophobicContact CB-CD2 4.49Å; E97-L131 HydrophobicContact CG-CD1 4.04Å; E97-L131 HydrophobicContact CG-CD2 3.43Å; E97-L131 VanDerWaalsContact CG-CD2 3.43Å; E97-L131 HydrophobicContact CG-CG 4.37Å; L100-L131 HydrophobicContact CD1-CD2 4.38Å; L100-L131 HydrophobicContact CD1-CG 4.17Å; N127-L131 WeakPolarHBondContact O-CB 3.36Å; N127-L131 PolarHBondContact O-N 2.99Å; V128-L131 PolarHBondContact O-N 2.93Å; V129-L131 PolarHBondContact O-N 3.31Å; L131-N133 PolarHBondContact O-N 2.87Å; L131-N134 PolarHBondContact O-N 3.42Å; L131-Y135 PolarHBondContact O-N 2.86Å
132I92.6Very high92.1Very high2 Ų250.1 Ų50.11%0.0126%0.256CS..Hα-helixtrans-62.5-44-177.3-66.8172.8000110.8L84 A88 V96 I106 A116 V128 V129 N134 Y135L84-I132 HydrophobicContact CD1-CD1 4.29Å; L84-I132 HydrophobicContact CG-CD1 4.43Å; A88-I132 HydrophobicContact CB-CD1 4.39Å; V96-I132 HydrophobicContact CG1-CD1 4.14Å; V96-I132 HydrophobicContact CG1-CG1 3.82Å; I106-I132 HydrophobicContact CB-CG2 3.97Å; I106-I132 HydrophobicContact CG2-CG2 3.94Å; A116-I132 HydrophobicContact CB-CD1 4.07Å; V128-I132 HydrophobicContact CG1-CD1 3.62Å; V128-I132 HydrophobicContact CG1-CG1 4.19Å; V128-I132 WeakPolarHBondContact O-CG1 3.34Å; V128-I132 PolarHBondContact O-N 3.14Å; V129-I132 PolarHBondContact O-N 3.41Å; I132-N134 VanDerWaalsContact C-N 3.28Å; I132-N134 PolarHBondContact O-N 3.31Å; I132-Y135 WeakPolarHBondContact O-CB 3.16Å; I132-Y135 PolarHBondContact O-N 2.8Å
133N90.1Very high92.3Very high77 Ų7745.1 Ų45.141%0.41224%0.237SC..Hα-helixtrans-71.7-22.2-177.2-69.1-8.5000113.5S117 V129 L131S117-N133 WeakPolarHBondContact CB-OD1 3.31Å; S117-N133 PolarHBondContact OG-ND2 2.85Å; S117-N133 PolarHBondContact OG-OD1 3.37Å; V129-N133 WeakPolarHBondContact CG1-ND2 3.39Å; V129-N133 VanDerWaalsContact O-CB 3.27Å; V129-N133 WeakPolarHBondContact O-CB 3.46Å; V129-N133 PolarHBondContact O-N 3.46Å; V129-N133 PolarHBondContact O-ND2 3.38Å; L131-N133 PolarHBondContact O-N 2.87Å
134N90.4Very high92.4Very high4 Ų443 Ų432%0.02122%0.222CC..Hα-helixtrans-96.1-1.9175.1-79.2-89.2000113T130 L131 I132 L165 K225 N323T130-N134 WeakPolarHBondContact O-CB 3.49Å; T130-N134 PolarHBondContact O-N 2.92Å; T130-N134 VanDerWaalsContact O-N 3.08Å; T130-N134 PolarHBondContact O-ND2 2.98Å; L131-N134 PolarHBondContact O-N 3.42Å; I132-N134 VanDerWaalsContact C-N 3.28Å; I132-N134 PolarHBondContact O-N 3.31Å; N134-L165 HydrophobicContact CB-CD2 3.83Å; N134-K225 PolarHBondContact OD1-NZ 3.31Å; N134-N323 PolarHBondContact ND2-OD1 3.49Å
135Y92.9Very high92.6Very high33 Ų3341.4 Ų41.413%0.12921%0.205CC..  trans-74.9136.5-177.6-171.2-104.1000111.1L100 I106 L131 I132 E137 L163L100-Y135 HydrophobicContact CB-CD1 4.26Å; L100-Y135 HydrophobicContact CB-CD2 4.09Å; L100-Y135 HydrophobicContact CB-CE1 3.9Å; L100-Y135 HydrophobicContact CB-CE2 3.75Å; L100-Y135 HydrophobicContact CB-CG 4.34Å; L100-Y135 HydrophobicContact CD1-CD1 4.33Å; L100-Y135 HydrophobicContact CD1-CD2 3.81Å; L100-Y135 HydrophobicContact CD1-CE2 4.32Å; L100-Y135 HydrophobicContact CD1-CG 3.81Å; L100-Y135 HydrophobicContact CD2-CD1 3.85Å; L100-Y135 HydrophobicContact CD2-CE1 4.12Å; L100-Y135 HydrophobicContact CD2-CG 4.17Å; L100-Y135 HydrophobicContact CG-CD1 4.37Å; L100-Y135 HydrophobicContact CG-CD2 4.42Å; L100-Y135 HydrophobicContact CG-CE1 4.47Å; L100-Y135 HydrophobicContact CG-CG 4.33Å; L100-Y135 PolarHBondContact O-OH 3.46Å; I106-Y135 HydrophobicContact CG2-CD1 4.48Å; L131-Y135 PolarHBondContact O-N 2.86Å; I132-Y135 WeakPolarHBondContact O-CB 3.16Å; I132-Y135 PolarHBondContact O-N 2.8Å; Y135-E137 HydrophobicContact CE1-CG 3.85Å; Y135-L163 HydrophobicContact CD2-CD2 3.9Å; Y135-L163 HydrophobicContact CE2-CD2 4.4Å
136L93.2Very high92.9Very high3 Ų343.3 Ų43.32%0.01622%0.221CC..  trans-134.7132.9170.4-17167.9000107.9E140 I141 H159 V162 Y212 F226L136-E140 HydrophobicContact CD1-CB 4.25Å; L136-E140 HydrophobicContact CD1-CG 3.71Å; L136-E140 HydrophobicContact CD2-CG 4.41Å; L136-E140 HydrophobicContact CG-CB 4.33Å; L136-E140 HydrophobicContact CG-CG 4.16Å; L136-I141 HydrophobicContact CD2-CD1 3.37Å; L136-I141 HydrophobicContact CD2-CG1 3.76Å; L136-H159 PolarHBondContact O-CD2 3.33Å; L136-H159 PolarHBondContact O-NE2 3.49Å; L136-V162 HydrophobicContact CB-CG1 3.59Å; L136-V162 HydrophobicContact CD2-CB 4.47Å; L136-V162 HydrophobicContact CD2-CG1 3.78Å; L136-V162 HydrophobicContact CD2-CG2 4.25Å; L136-V162 HydrophobicContact CG-CG1 4.33Å; L136-Y212 HydrophobicContact CD1-CE1 4.33Å; L136-Y212 HydrophobicContact CD1-CE2 4.05Å; L136-Y212 WeakPolarHBondContact CD1-OH 3.37Å; L136-F226 HydrophobicContact CD2-CE1 4.21Å; L136-F226 HydrophobicContact CD2-CZ 3.96Å
137E92.8Very high93.3Very high84 Ų8445.4 Ų45.439%0.39323%0.229SC..  trans-64.3147.1175.5-69.5176.1-171.600110.6Y135 E139 E140Y135-E137 HydrophobicContact CE1-CG 3.85Å; E137-E139 VanDerWaalsContact C-N 3.27Å; E137-E139 PolarHBondContact O-N 2.99Å; E137-E140 HydrophobicContact CB-CB 4.41Å; E137-E140 WeakPolarHBondContact O-CB 3.22Å; E137-E140 PolarHBondContact O-N 3.48Å
138R94.3Very high93.7Very high91 Ų9142.6 Ų42.634%0.34322%0.217SC..Hα-helixtrans-68.4-34.6-179.4175.5172.1-85.5-108.63.7111.1E140 I141 A142 V155 S156 H159R138-E140 VanDerWaalsContact C-N 3.26Å; R138-E140 PolarHBondContact O-N 3.26Å; R138-I141 WeakPolarHBondContact O-CB 3.39Å; R138-I141 PolarHBondContact O-N 2.77Å; R138-A142 PolarHBondContact O-N 3.18Å; R138-V155 HydrophobicContact CG-CG1 3.63Å; R138-S156 VanDerWaalsContact NH1-CA 3.31Å; R138-S156 VanDerWaalsContact NH1-CB 3.35Å; R138-S156 PolarHBondContact NH2-OG 2.74Å; R138-H159 PolarHBondContact NE-ND1 3.1Å
139E94.3Very high93.8Very high122 Ų12251.2 Ų51.257%0.5726%0.256SS*.Hα-helixtrans-62.9-36.1-179.8-6765.2-145.800110.9E137 I141 A142 I143E137-E139 VanDerWaalsContact C-N 3.27Å; E137-E139 PolarHBondContact O-N 2.99Å; E139-I141 PolarHBondContact O-N 3.37Å; E139-A142 WeakPolarHBondContact O-CB 3.45Å; E139-A142 PolarHBondContact O-N 3.11Å; E139-I143 WeakPolarHBondContact O-CG1 3.35Å; E139-I143 PolarHBondContact O-N 2.63Å
140E94.1Very high93.9Very high27 Ų2751.2 Ų51.213%0.12626%0.256CS..Hα-helixtrans-60.4-45.3174.317857.9-150.900110.9L136 E137 R138 I143 Y144 K211L136-E140 HydrophobicContact CD1-CB 4.25Å; L136-E140 HydrophobicContact CD1-CG 3.71Å; L136-E140 HydrophobicContact CD2-CG 4.41Å; L136-E140 HydrophobicContact CG-CB 4.33Å; L136-E140 HydrophobicContact CG-CG 4.16Å; E137-E140 HydrophobicContact CB-CB 4.41Å; E137-E140 WeakPolarHBondContact O-CB 3.22Å; E137-E140 PolarHBondContact O-N 3.48Å; R138-E140 VanDerWaalsContact C-N 3.26Å; R138-E140 PolarHBondContact O-N 3.26Å; E140-I143 PolarHBondContact O-N 3.49Å; E140-Y144 VanDerWaalsContact O-CD2 3.29Å; E140-Y144 WeakPolarHBondContact O-CD2 3.41Å; E140-Y144 WeakPolarHBondContact OE1-CE2 3.34Å; E140-K211 WeakPolarHBondContact OE1-CD 3.42Å; E140-K211 VanDerWaalsContact OE1-CE 3.24Å; E140-K211 WeakPolarHBondContact OE1-CE 3.42Å; E140-K211 IonicContact OE1-NZ 2.62Å; E140-K211 PolarHBondContact OE1-NZ 3.34Å; E140-K211 IonicContact OE2-NZ 3.2Å; E140-K211 PolarHBondContact OE2-NZ 3.33Å
141I96.6Very high94Very high0 Ų054 Ų540%027%0.27CS..Hα-helixtrans-65.3-39.4173.7-63.4-57.3000111.8L136 R138 E139 I143 Y144 V145 V155 I158 V162 L208L136-I141 HydrophobicContact CD2-CD1 3.37Å; L136-I141 HydrophobicContact CD2-CG1 3.76Å; R138-I141 WeakPolarHBondContact O-CB 3.39Å; R138-I141 PolarHBondContact O-N 2.77Å; E139-I141 PolarHBondContact O-N 3.37Å; I141-I143 PolarHBondContact O-N 3.46Å; I141-Y144 PolarHBondContact O-N 2.7Å; I141-V145 HydrophobicContact CG2-CG2 3.95Å; I141-V145 WeakPolarHBondContact O-CG2 3.31Å; I141-V145 PolarHBondContact O-N 3Å; I141-V155 HydrophobicContact CB-CG1 4.3Å; I141-V155 HydrophobicContact CG2-CG1 4.03Å; I141-I158 HydrophobicContact CD1-CG2 3.96Å; I141-I158 HydrophobicContact CG1-CG2 4.39Å; I141-I158 HydrophobicContact CG2-CB 3.91Å; I141-I158 HydrophobicContact CG2-CG2 3.7Å; I141-V162 HydrophobicContact CD1-CG2 4.29Å; I141-L208 HydrophobicContact CD1-CD1 3.54Å
142A97.1Very high94Very high37 Ų3757.2 Ų57.231%0.30629%0.293SS..Hα-helixtrans-60.4-32.2-178.500000113R138 E139 Y144 S146 V155R138-A142 PolarHBondContact O-N 3.18Å; E139-A142 WeakPolarHBondContact O-CB 3.45Å; E139-A142 PolarHBondContact O-N 3.11Å; A142-Y144 VanDerWaalsContact C-N 3.32Å; A142-Y144 PolarHBondContact O-N 2.8Å; A142-S146 WeakPolarHBondContact O-CB 3.44Å; A142-S146 PolarHBondContact O-N 3.46Å; A142-S146 PolarHBondContact O-OG 3.2Å; A142-V155 HydrophobicContact CB-CG1 4.15Å; A142-V155 HydrophobicContact CB-CG2 4.19Å
143I96.8Very high93.8Very high78 Ų7861.3 Ų61.340%0.431%0.312SS..Hα-helixtrans-60.5-41.7174.6-66164.3000111.1E139 E140 I141 S146 K147E139-I143 WeakPolarHBondContact O-CG1 3.35Å; E139-I143 PolarHBondContact O-N 2.63Å; E140-I143 PolarHBondContact O-N 3.49Å; I141-I143 PolarHBondContact O-N 3.46Å; I143-S146 PolarHBondContact O-OG 2.89Å; I143-K147 HydrophobicContact CG2-CD 4.38Å; I143-K147 VanDerWaalsContact O-CG 3.29Å; I143-K147 WeakPolarHBondContact O-CG 3.47Å; I143-K147 PolarHBondContact O-N 2.95Å
144Y97.7Very high93.9Very high22 Ų2257.6 Ų57.69%0.08629%0.292CS..Hα-helixtrans-75.9-43.3-179.7-71.2-85.5000112.2E140 I141 A142 S146 K147 S148 I204 D207 L208 K211E140-Y144 VanDerWaalsContact O-CD2 3.29Å; E140-Y144 WeakPolarHBondContact O-CD2 3.41Å; E140-Y144 WeakPolarHBondContact OE1-CE2 3.34Å; I141-Y144 PolarHBondContact O-N 2.7Å; A142-Y144 VanDerWaalsContact C-N 3.32Å; A142-Y144 PolarHBondContact O-N 2.8Å; Y144-S146 VanDerWaalsContact C-N 3.29Å; Y144-S146 PolarHBondContact O-N 2.86Å; Y144-K147 PolarHBondContact O-N 3.41Å; Y144-S148 PolarHBondContact O-N 3.35Å; Y144-S148 PolarHBondContact O-OG 3.3Å; Y144-I204 HydrophobicContact CG-CG2 4.17Å; Y144-D207 HydrophobicContact CD1-CB 3.95Å; Y144-D207 HydrophobicContact CE1-CB 3.46Å; Y144-D207 VanDerWaalsContact CE1-CB 3.46Å; Y144-L208 HydrophobicContact CD2-CD2 4.04Å; Y144-L208 HydrophobicContact CD2-CG 4.41Å; Y144-L208 HydrophobicContact CE2-CD2 3.56Å; Y144-L208 HydrophobicContact CE2-CG 4.19Å; Y144-K211 WeakPolarHBondContact OH-CD 3.12Å
145V96.5Very high94.2Very high3 Ų358 Ų582%0.01830%0.295CS..Hα-helixtrans-57.6-43.8177.5171.70000111.1I141 S148 Q149 L150 L151 H154 V155 I158 I204I141-V145 HydrophobicContact CG2-CG2 3.95Å; I141-V145 WeakPolarHBondContact O-CG2 3.31Å; I141-V145 PolarHBondContact O-N 3Å; V145-S148 CarbonylContact O-C 3.44Å; V145-S148 PolarHBondContact O-N 3.4Å; V145-Q149 PolarHBondContact O-N 3.08Å; V145-L150 HydrophobicContact CB-CB 4.49Å; V145-L150 HydrophobicContact CG1-CB 3.61Å; V145-L150 PolarHBondContact O-N 2.94Å; V145-L151 WeakPolarHBondContact CG1-O 3.45Å; V145-H154 HydrophobicContact CG1-CB 4.47Å; V145-V155 HydrophobicContact CB-CG2 3.83Å; V145-V155 HydrophobicContact CG1-CG2 3.7Å; V145-V155 HydrophobicContact CG2-CG2 3.87Å; V145-I158 HydrophobicContact CG2-CD1 3.81Å; V145-I204 HydrophobicContact CG2-CD1 4.03Å
146S95.3Very high94.2Very high81 Ų8158.8 Ų58.857%0.56631%0.305SS*.Hα-helixtrans-65.1-42.7177.3580000112.8A142 I143 Y144 S148 Q149A142-S146 WeakPolarHBondContact O-CB 3.44Å; A142-S146 PolarHBondContact O-N 3.46Å; A142-S146 PolarHBondContact O-OG 3.2Å; I143-S146 PolarHBondContact O-OG 2.89Å; Y144-S146 VanDerWaalsContact C-N 3.29Å; Y144-S146 PolarHBondContact O-N 2.86Å; S146-S148 VanDerWaalsContact C-N 3.28Å; S146-S148 PolarHBondContact O-N 2.82Å; S146-Q149 PolarHBondContact O-N 3.4Å; S146-Q149 VanDerWaalsContact O-N 3.13Å
147K96Very high94.1Very high147 Ų14759.2 Ų59.264%0.63931%0.309SS*.Hα-helixtrans-61.1-36.8174.6-74.5173.5-177.7178.90112.6I143 Y144 Q149I143-K147 HydrophobicContact CG2-CD 4.38Å; I143-K147 VanDerWaalsContact O-CG 3.29Å; I143-K147 WeakPolarHBondContact O-CG 3.47Å; I143-K147 PolarHBondContact O-N 2.95Å; Y144-K147 PolarHBondContact O-N 3.41Å; K147-Q149 VanDerWaalsContact C-N 3.26Å; K147-Q149 PolarHBondContact O-N 3.25Å
148S95.2Very high94.3Very high30 Ų3055.2 Ų55.221%0.2129%0.291CS..THydrogen-bonded Turntrans-845.9177.9-58.20000114Y144 V145 S146 L150Y144-S148 PolarHBondContact O-N 3.35Å; Y144-S148 PolarHBondContact O-OG 3.3Å; V145-S148 CarbonylContact O-C 3.44Å; V145-S148 PolarHBondContact O-N 3.4Å; S146-S148 VanDerWaalsContact C-N 3.28Å; S146-S148 PolarHBondContact O-N 2.82Å; S148-L150 PolarHBondContact O-N 3.48Å
149Q92.8Very high94.3Very high182 Ų18251.8 Ų51.885%0.8528%0.279SS*.THydrogen-bonded Turntrans5731.7179.2-55.717219.500113.4V145 S146 K147V145-Q149 PolarHBondContact O-N 3.08Å; S146-Q149 PolarHBondContact O-N 3.4Å; S146-Q149 VanDerWaalsContact O-N 3.13Å; K147-Q149 VanDerWaalsContact C-N 3.26Å; K147-Q149 PolarHBondContact O-N 3.25Å
150L93.9Very high94.2Very high18 Ų1850.9 Ų50.99%0.09427%0.274CS..  trans-89.4156.6177.8-67.4-176.5000111.3V145 S148 H154 H197 C200 I201 I204V145-L150 HydrophobicContact CB-CB 4.49Å; V145-L150 HydrophobicContact CG1-CB 3.61Å; V145-L150 PolarHBondContact O-N 2.94Å; S148-L150 PolarHBondContact O-N 3.48Å; L150-H154 HydrophobicContact CB-CB 4.41Å; L150-H197 HydrophobicContact CD2-CB 3.59Å; L150-C200 HydrophobicContact CD1-CB 3.87Å; L150-C200 HydrophobicContact CD2-CB 3.89Å; L150-C200 HydrophobicContact CG-CB 4.08Å; L150-I201 HydrophobicContact CD1-CG1 3.88Å; L150-I204 HydrophobicContact CD1-CD1 3.83Å
151L91.5Very high94.2Very high61 Ų6149.8 Ų49.832%0.31927%0.269SS..  trans-66.8149.6177.2-54.6174.8000112.9V145 E153 H154 E191 K192V145-L151 WeakPolarHBondContact CG1-O 3.45Å; L151-E153 WeakPolarHBondContact CB-OE2 3.23Å; L151-E153 PolarHBondContact O-N 3.02Å; L151-E153 VanDerWaalsContact O-N 3.16Å; L151-H154 WeakPolarHBondContact CB-ND1 3.38Å; L151-H154 PolarHBondContact N-ND1 2.73Å; L151-H154 WeakPolarHBondContact O-CB 3.44Å; L151-H154 PolarHBondContact O-N 3.27Å; L151-H154 PolarHBondContact O-ND1 3.23Å; L151-H154 VanDerWaalsContact O-ND1 3.17Å; L151-E191 HydrophobicContact CD1-CB 4.41Å; L151-K192 HydrophobicContact CD1-CG 3.98Å
152P90Very high94.1Very high99 Ų9949.8 Ų49.864%0.64327%0.269SS*.Hα-helixtrans-55.3-29.6176.7-26.635.5000114.8H154 V155P152-H154 PolarHBondContact O-N 2.93Å; P152-V155 WeakPolarHBondContact O-CB 3.31Å; P152-V155 WeakPolarHBondContact O-CG2 3.22Å; P152-V155 PolarHBondContact O-N 3.31Å
153E88.4Confident93.8Very high88 Ų8851 Ų5141%0.41127%0.27SS..Hα-helixtrans-60.1-33.7176.6-67.585.4165.900111.9L151 V155 S156 A157 K192L151-E153 WeakPolarHBondContact CB-OE2 3.23Å; L151-E153 PolarHBondContact O-N 3.02Å; L151-E153 VanDerWaalsContact O-N 3.16Å; E153-V155 VanDerWaalsContact C-N 3.25Å; E153-V155 PolarHBondContact O-N 3.43Å; E153-S156 WeakPolarHBondContact O-CB 3.37Å; E153-S156 PolarHBondContact O-N 3.3Å; E153-S156 VanDerWaalsContact O-N 3.07Å; E153-A157 PolarHBondContact O-N 3.31Å; E153-K192 HydrophobicContact CG-CD 4.27Å
154H93.2Very high93.5Very high0 Ų048.5 Ų48.50%026%0.257CS..Hα-helixtrans-65.3-29.3176.2-57.6113.3000112.1V145 L150 L151 P152 S156 A157 I158 H197V145-H154 HydrophobicContact CG1-CB 4.47Å; L150-H154 HydrophobicContact CB-CB 4.41Å; L151-H154 WeakPolarHBondContact CB-ND1 3.38Å; L151-H154 PolarHBondContact N-ND1 2.73Å; L151-H154 WeakPolarHBondContact O-CB 3.44Å; L151-H154 PolarHBondContact O-N 3.27Å; L151-H154 PolarHBondContact O-ND1 3.23Å; L151-H154 VanDerWaalsContact O-ND1 3.17Å; P152-H154 PolarHBondContact O-N 2.93Å; H154-S156 PolarHBondContact O-N 3.12Å; H154-A157 PolarHBondContact O-N 2.94Å; H154-I158 HydrophobicContact CB-CD1 4.36Å; H154-I158 WeakPolarHBondContact O-CB 3.34Å; H154-I158 WeakPolarHBondContact O-CD1 3.43Å; H154-I158 WeakPolarHBondContact O-CG1 3.41Å; H154-I158 PolarHBondContact O-N 3.36Å; H154-H197 AromaticContact CE1-CE1 3.97Å; H154-H197 AromaticContact CE1-ND1 3.46Å; H154-H197 PolarHBondContact CE1-ND1 3.42Å; H154-H197 AromaticContact NE2-ND1 3.32Å; H154-H197 PolarHBondContact NE2-ND1 3.02Å
155V95.6Very high93Very high13 Ų1348.9 Ų48.98%0.07926%0.26CS..Hα-helixtrans-55.4-44.5172.7-176.40000109.5R138 I141 A142 V145 P152 E153 H159R138-V155 HydrophobicContact CG-CG1 3.63Å; I141-V155 HydrophobicContact CB-CG1 4.3Å; I141-V155 HydrophobicContact CG2-CG1 4.03Å; A142-V155 HydrophobicContact CB-CG1 4.15Å; A142-V155 HydrophobicContact CB-CG2 4.19Å; V145-V155 HydrophobicContact CB-CG2 3.83Å; V145-V155 HydrophobicContact CG1-CG2 3.7Å; V145-V155 HydrophobicContact CG2-CG2 3.87Å; P152-V155 WeakPolarHBondContact O-CB 3.31Å; P152-V155 WeakPolarHBondContact O-CG2 3.22Å; P152-V155 PolarHBondContact O-N 3.31Å; E153-V155 VanDerWaalsContact C-N 3.25Å; E153-V155 PolarHBondContact O-N 3.43Å; V155-H159 WeakPolarHBondContact O-CB 3.32Å; V155-H159 PolarHBondContact O-N 3.29Å
156S92.4Very high92.6Very high48 Ų4849.2 Ų49.234%0.33626%0.262SS..Hα-helixtrans-66.9-44.9-177.7-160.80000112.8R138 E153 H154 Q160R138-S156 VanDerWaalsContact NH1-CA 3.31Å; R138-S156 VanDerWaalsContact NH1-CB 3.35Å; R138-S156 PolarHBondContact NH2-OG 2.74Å; E153-S156 WeakPolarHBondContact O-CB 3.37Å; E153-S156 PolarHBondContact O-N 3.3Å; E153-S156 VanDerWaalsContact O-N 3.07Å; H154-S156 PolarHBondContact O-N 3.12Å; S156-Q160 WeakPolarHBondContact O-CB 3.41Å; S156-Q160 PolarHBondContact O-N 3.21Å
157A91.9Very high92.4Very high13 Ų1345.8 Ų45.811%0.10724%0.237CC..Hα-helixtrans-66.5-44.7-17900000111.7E153 H154 Q160 L161 E179 M194E153-A157 PolarHBondContact O-N 3.31Å; H154-A157 PolarHBondContact O-N 2.94Å; A157-Q160 PolarHBondContact O-N 2.83Å; A157-L161 PolarHBondContact O-N 3.4Å; A157-E179 WeakPolarHBondContact CB-OE1 3.47Å; A157-M194 HydrophobicContact CB-CE 4.05Å; A157-M194 HydrophobicContact CB-CG 3.73Å; A157-M194 HydrophobicContact CB-SD 3.43Å; A157-M194 WeakPolarHBondContact CB-SD 3.5Å
158I96Very high92.2Very high0 Ų038.9 Ų38.90%021%0.207CC..Hα-helixtrans-64.9-46.5176.8-64.1167.4000110.5I141 V145 H154 Q160 L161 V162 M194 I201 I204 F205I141-I158 HydrophobicContact CD1-CG2 3.96Å; I141-I158 HydrophobicContact CG1-CG2 4.39Å; I141-I158 HydrophobicContact CG2-CB 3.91Å; I141-I158 HydrophobicContact CG2-CG2 3.7Å; V145-I158 HydrophobicContact CG2-CD1 3.81Å; H154-I158 HydrophobicContact CB-CD1 4.36Å; H154-I158 WeakPolarHBondContact O-CB 3.34Å; H154-I158 WeakPolarHBondContact O-CD1 3.43Å; H154-I158 WeakPolarHBondContact O-CG1 3.41Å; H154-I158 PolarHBondContact O-N 3.36Å; I158-Q160 VanDerWaalsContact C-N 3.29Å; I158-Q160 PolarHBondContact O-N 3.19Å; I158-L161 WeakPolarHBondContact O-CB 3.4Å; I158-L161 PolarHBondContact O-N 3.43Å; I158-L161 VanDerWaalsContact O-N 3.1Å; I158-V162 WeakPolarHBondContact O-CG2 3.41Å; I158-V162 PolarHBondContact O-N 3.22Å; I158-M194 HydrophobicContact CG1-SD 4.09Å; I158-I201 HydrophobicContact CD1-CD1 4.46Å; I158-I201 HydrophobicContact CD1-CG1 4.1Å; I158-I201 HydrophobicContact CD1-CG2 4.16Å; I158-I201 HydrophobicContact CG1-CG2 4.03Å; I158-I204 HydrophobicContact CD1-CD1 4.02Å; I158-F205 HydrophobicContact CG2-CE1 4.33Å; I158-F205 HydrophobicContact CG2-CE2 4.42Å; I158-F205 HydrophobicContact CG2-CZ 3.89Å
159H95.3Very high92.2Very high19 Ų1937.4 Ų37.49%0.08820%0.197CC..Hα-helixtrans-59-42.2177.8-175.5-133000111.4L136 R138 V155 L161 V162 L163L136-H159 PolarHBondContact O-CD2 3.33Å; L136-H159 PolarHBondContact O-NE2 3.49Å; R138-H159 PolarHBondContact NE-ND1 3.1Å; V155-H159 WeakPolarHBondContact O-CB 3.32Å; V155-H159 PolarHBondContact O-N 3.29Å; H159-L161 PolarHBondContact O-N 2.8Å; H159-V162 PolarHBondContact O-N 3.08Å; H159-L163 WeakPolarHBondContact O-CG 3.28Å; H159-L163 PolarHBondContact O-N 2.65Å
160Q92.4Very high92.2Very high102 Ų10228.8 Ų28.848%0.47716%0.157SC..Hα-helixtrans-62.1-39.3175-175.8-177.1-22.800112.5S156 A157 I158 Q164S156-Q160 WeakPolarHBondContact O-CB 3.41Å; S156-Q160 PolarHBondContact O-N 3.21Å; A157-Q160 PolarHBondContact O-N 2.83Å; I158-Q160 VanDerWaalsContact C-N 3.29Å; I158-Q160 PolarHBondContact O-N 3.19Å; Q160-Q164 WeakPolarHBondContact O-CG 3.46Å; Q160-Q164 PolarHBondContact O-N 3.25Å
161L94.4Very high92.2Very high5 Ų529.3 Ų29.33%0.02616%0.158CC..Hα-helixtrans-63.2-42.1174-77.2175.1000111.9A157 I158 H159 Q164 V172 L175 M194 F205 I233A157-L161 PolarHBondContact O-N 3.4Å; I158-L161 WeakPolarHBondContact O-CB 3.4Å; I158-L161 PolarHBondContact O-N 3.43Å; I158-L161 VanDerWaalsContact O-N 3.1Å; H159-L161 PolarHBondContact O-N 2.8Å; L161-Q164 PolarHBondContact O-N 2.87Å; L161-V172 HydrophobicContact CD2-CG1 4.14Å; L161-V172 HydrophobicContact CD2-CG2 4.45Å; L161-L175 HydrophobicContact CD2-CD1 3.66Å; L161-M194 HydrophobicContact CD1-CE 3.45Å; L161-M194 VanDerWaalsContact CD1-CE 3.45Å; L161-M194 HydrophobicContact CD1-SD 4.04Å; L161-M194 HydrophobicContact CG-CE 4.17Å; L161-F205 HydrophobicContact CB-CZ 4.29Å; L161-F205 HydrophobicContact CD1-CE2 4.41Å; L161-F205 HydrophobicContact CD1-CZ 4.34Å; L161-I233 HydrophobicContact CD1-CD1 4.01Å
162V94.4Very high92.3Very high0 Ų026.5 Ų26.50%014%0.144CC..Hα-helixtrans-63.2-42.9179.2171.70000111.8L136 I141 I158 H159 Q164 F205 K225 F226L136-V162 HydrophobicContact CB-CG1 3.59Å; L136-V162 HydrophobicContact CD2-CB 4.47Å; L136-V162 HydrophobicContact CD2-CG1 3.78Å; L136-V162 HydrophobicContact CD2-CG2 4.25Å; L136-V162 HydrophobicContact CG-CG1 4.33Å; I141-V162 HydrophobicContact CD1-CG2 4.29Å; I158-V162 WeakPolarHBondContact O-CG2 3.41Å; I158-V162 PolarHBondContact O-N 3.22Å; H159-V162 PolarHBondContact O-N 3.08Å; V162-Q164 VanDerWaalsContact C-N 3.26Å; V162-Q164 PolarHBondContact O-N 3.16Å; V162-F205 HydrophobicContact CG2-CE1 3.73Å; V162-F205 HydrophobicContact CG2-CZ 4.35Å; V162-K225 VanDerWaalsContact O-CE 3.28Å; V162-K225 WeakPolarHBondContact O-CE 3.47Å; V162-K225 PolarHBondContact O-NZ 3.05Å; V162-F226 HydrophobicContact CB-CE1 4.41Å; V162-F226 HydrophobicContact CG1-CE1 3.77Å; V162-F226 HydrophobicContact CG1-CZ 4.4Å; V162-F226 HydrophobicContact CG2-CD1 4.33Å; V162-F226 HydrophobicContact CG2-CE1 3.79Å
163L91.2Very high92.6Very high62 Ų6221.8 Ų21.833%0.32511%0.113SC..Hα-helixtrans-74.1-14.8-176.6-65.9-175.5000113.7Y135 H159 L165Y135-L163 HydrophobicContact CD2-CD2 3.9Å; Y135-L163 HydrophobicContact CE2-CD2 4.4Å; H159-L163 WeakPolarHBondContact O-CG 3.28Å; H159-L163 PolarHBondContact O-N 2.65Å; L163-L165 PolarHBondContact O-N 3.42Å
164Q88.9Confident92.7Very high26 Ų2618.1 Ų18.112%0.12110%0.096CC..  trans-67.1128.6180-80.3178.52800112.7Q160 L161 V162 N166 K171 K225Q160-Q164 WeakPolarHBondContact O-CG 3.46Å; Q160-Q164 PolarHBondContact O-N 3.25Å; L161-Q164 PolarHBondContact O-N 2.87Å; V162-Q164 VanDerWaalsContact C-N 3.26Å; V162-Q164 PolarHBondContact O-N 3.16Å; Q164-N166 VanDerWaalsContact C-N 3.32Å; Q164-K171 VanDerWaalsContact OE1-CE 3.32Å; Q164-K171 VanDerWaalsContact OE1-CG 3.28Å; Q164-K225 WeakPolarHBondContact O-CE 3.46Å; Q164-K225 PolarHBondContact O-NZ 3.37Å
165L88.3Confident92.6Very high29 Ų2919.3 Ų19.315%0.15210%0.102CC..SBendtrans-76.4-23.8172.6-58.6-173.2000112.5T130 N134 L163 I167 N323 L345T130-L165 HydrophobicContact CG2-CD1 3.55Å; T130-L165 HydrophobicContact CG2-CD2 3.53Å; T130-L165 HydrophobicContact CG2-CG 4.14Å; N134-L165 HydrophobicContact CB-CD2 3.83Å; L163-L165 PolarHBondContact O-N 3.42Å; L165-I167 PolarHBondContact O-N 2.87Å; L165-N323 PolarHBondContact O-ND2 2.91Å; L165-L345 HydrophobicContact CB-CB 4.46Å; L165-L345 HydrophobicContact CB-CD2 3.98Å
166N88.2Confident92.4Very high10 Ų1018.7 Ų18.75%0.05310%0.099CC..  trans-81.7101.7175.4-173.3-14.5000110.6Q164 S168 K171 C339 D341 L345Q164-N166 VanDerWaalsContact C-N 3.32Å; N166-S168 VanDerWaalsContact C-N 3.34Å; N166-S168 VanDerWaalsContact OD1-CB 3.3Å; N166-S168 WeakPolarHBondContact OD1-CB 3.49Å; N166-S168 PolarHBondContact OD1-N 3.47Å; N166-S168 PolarHBondContact OD1-OG 3.43Å; N166-K171 HydrophobicContact CB-CG 4.12Å; N166-C339 PolarHBondContact ND2-O 3.28Å; N166-C339 PolarHBondContact OD1-O 3.25Å; N166-D341 PolarHBondContact ND2-N 3.28Å; N166-D341 PolarHBondContact ND2-OD1 2.94Å; N166-L345 HydrophobicContact CB-CD1 4.03Å
167I90.3Very high92.2Very high9 Ų916.7 Ų16.75%0.0468%0.084CC..  trans-93.814.6-178.862.5173000113.2L165 K225 L228 L315 L318 I322L165-I167 PolarHBondContact O-N 2.87Å; I167-K225 HydrophobicContact CG2-CD 4.45Å; I167-K225 HydrophobicContact CG2-CG 4.15Å; I167-L228 HydrophobicContact CD1-CD1 4.32Å; I167-L315 HydrophobicContact CD1-CD1 4.48Å; I167-L315 HydrophobicContact CG1-CD1 3.83Å; I167-L318 HydrophobicContact CD1-CB 3.79Å; I167-I322 HydrophobicContact CD1-CD1 3.58Å
168S92Very high91.9Very high2 Ų219.1 Ų19.11%0.01410%0.096CC..  trans-66139.6178.872.60000110.8N166 I170 K171 V172 C339N166-S168 VanDerWaalsContact C-N 3.34Å; N166-S168 VanDerWaalsContact OD1-CB 3.3Å; N166-S168 WeakPolarHBondContact OD1-CB 3.49Å; N166-S168 PolarHBondContact OD1-N 3.47Å; N166-S168 PolarHBondContact OD1-OG 3.43Å; S168-I170 PolarHBondContact O-N 3.45Å; S168-K171 WeakPolarHBondContact O-CB 3.44Å; S168-K171 PolarHBondContact O-N 3.34Å; S168-K171 VanDerWaalsContact OG-CB 3.26Å; S168-K171 WeakPolarHBondContact OG-CB 3.25Å; S168-K171 PolarHBondContact OG-N 2.93Å; S168-V172 PolarHBondContact O-N 2.93Å; S168-C339 PolarHBondContact OG-O 3.17Å
169P95.5Very high91.4Very high0 Ų021 Ų210%010%0.104CC..Hα-helixtrans-56.9-35.8176.8-25.834.3000112.4K171 V172 F173 F264 F280 L281P169-K171 VanDerWaalsContact C-N 3.33Å; P169-K171 PolarHBondContact O-N 3.17Å; P169-V172 PolarHBondContact O-N 3.29Å; P169-F173 HydrophobicContact CB-CE2 4Å; P169-F173 HydrophobicContact CB-CZ 4.07Å; P169-F173 WeakPolarHBondContact O-CD1 3.41Å; P169-F173 WeakPolarHBondContact O-CD2 3.34Å; P169-F173 WeakPolarHBondContact O-CG 3.48Å; P169-F173 PolarHBondContact O-N 3.03Å; P169-F264 HydrophobicContact CB-CD1 4.01Å; P169-F264 HydrophobicContact CB-CE1 3.98Å; P169-F280 HydrophobicContact CB-CD1 4.07Å; P169-F280 HydrophobicContact CB-CE1 4.09Å; P169-F280 HydrophobicContact CG-CD1 3.6Å; P169-F280 HydrophobicContact CG-CE1 3.84Å; P169-L281 HydrophobicContact CG-CD2 3.82Å; P169-L281 HydrophobicContact CG-CG 4.05Å
170I93.3Very high90.7Very high0 Ų020.7 Ų20.70%010%0.103CC..Hα-helixtrans-61.7-41.1177.5-65.1-64.5000111.9S168 V172 F173 L174 I261 F264 L265 Q277 T338 C339S168-I170 PolarHBondContact O-N 3.45Å; I170-V172 VanDerWaalsContact C-N 3.35Å; I170-F173 PolarHBondContact O-N 3.12Å; I170-L174 HydrophobicContact CG2-CD1 3.73Å; I170-L174 HydrophobicContact CG2-CG 4.2Å; I170-L174 WeakPolarHBondContact O-CB 3.29Å; I170-L174 VanDerWaalsContact O-CG 3.26Å; I170-L174 WeakPolarHBondContact O-CG 3.41Å; I170-L174 PolarHBondContact O-N 3.07Å; I170-I261 HydrophobicContact CD1-CG2 4.18Å; I170-F264 HydrophobicContact CD1-CB 3.5Å; I170-F264 VanDerWaalsContact CD1-CB 3.5Å; I170-L265 HydrophobicContact CD1-CD2 3.57Å; I170-L265 HydrophobicContact CD1-CG 3.7Å; I170-L265 HydrophobicContact CG1-CD2 3.7Å; I170-L265 HydrophobicContact CG1-CG 4.39Å; I170-L265 HydrophobicContact CG2-CD2 4.22Å; I170-Q277 HydrophobicContact CG1-CG 4.15Å; I170-T338 HydrophobicContact CG2-CG2 4.31Å; I170-T338 WeakPolarHBondContact CG2-O 3.48Å; I170-C339 HydrophobicContact CG2-CB 4.19Å
171K92.2Very high90.1Very high30 Ų3019.5 Ų19.513%0.1310%0.097CC..Hα-helixtrans-62.2-46.2178.5179.663.5174.2-175.10110.7Q164 N166 S168 P169 L174 L175 C339 D341Q164-K171 VanDerWaalsContact OE1-CE 3.32Å; Q164-K171 VanDerWaalsContact OE1-CG 3.28Å; N166-K171 HydrophobicContact CB-CG 4.12Å; S168-K171 WeakPolarHBondContact O-CB 3.44Å; S168-K171 PolarHBondContact O-N 3.34Å; S168-K171 VanDerWaalsContact OG-CB 3.26Å; S168-K171 WeakPolarHBondContact OG-CB 3.25Å; S168-K171 PolarHBondContact OG-N 2.93Å; P169-K171 VanDerWaalsContact C-N 3.33Å; P169-K171 PolarHBondContact O-N 3.17Å; K171-L174 PolarHBondContact O-N 3.19Å; K171-L175 HydrophobicContact CG-CD1 4.34Å; K171-L175 WeakPolarHBondContact O-CD1 3.37Å; K171-L175 WeakPolarHBondContact O-CG 3.45Å; K171-L175 PolarHBondContact O-N 3.33Å; K171-C339 HydrophobicContact CB-CB 4.48Å; K171-C339 HydrophobicContact CD-CB 4.36Å; K171-D341 WeakPolarHBondContact CE-OD1 3.3Å; K171-D341 IonicContact NZ-OD1 3.19Å; K171-D341 PolarHBondContact NZ-OD1 3.07Å; K171-D341 IonicContact NZ-OD2 2.95Å; K171-D341 PolarHBondContact NZ-OD2 3.45Å
172V95.4Very high89.4Confident2 Ų223.1 Ų23.11%0.01212%0.12CC..Hα-helixtrans-59.2-50176.2-178.50000110.7L161 S168 P169 I170 L174 L175 L176 L229 C232 I233L161-V172 HydrophobicContact CD2-CG1 4.14Å; L161-V172 HydrophobicContact CD2-CG2 4.45Å; S168-V172 PolarHBondContact O-N 2.93Å; P169-V172 PolarHBondContact O-N 3.29Å; I170-V172 VanDerWaalsContact C-N 3.35Å; V172-L174 VanDerWaalsContact C-N 3.32Å; V172-L174 PolarHBondContact O-N 2.88Å; V172-L175 PolarHBondContact O-N 3.32Å; V172-L176 HydrophobicContact CG1-CD1 4.18Å; V172-L176 WeakPolarHBondContact O-CG 3.29Å; V172-L176 PolarHBondContact O-N 3.16Å; V172-L176 VanDerWaalsContact O-N 3.12Å; V172-L229 HydrophobicContact CG2-CD2 3.81Å; V172-C232 HydrophobicContact CB-CB 4.09Å; V172-C232 HydrophobicContact CG1-CB 3.75Å; V172-C232 HydrophobicContact CG2-CB 4.3Å; V172-I233 HydrophobicContact CG1-CD1 4.31Å
173F94.8Very high88.4Confident0 Ų023.6 Ų23.60%012%0.123CC..Hα-helixtrans-64-34.8-179.6-58-20.9000113.1P169 I170 L175 N177 C232 Q235 A236 L257 L260 I261 F264P169-F173 HydrophobicContact CB-CE2 4Å; P169-F173 HydrophobicContact CB-CZ 4.07Å; P169-F173 WeakPolarHBondContact O-CD1 3.41Å; P169-F173 WeakPolarHBondContact O-CD2 3.34Å; P169-F173 WeakPolarHBondContact O-CG 3.48Å; P169-F173 PolarHBondContact O-N 3.03Å; I170-F173 PolarHBondContact O-N 3.12Å; F173-L175 VanDerWaalsContact C-N 3.34Å; F173-N177 VanDerWaalsContact O-CB 3.27Å; F173-N177 WeakPolarHBondContact O-CB 3.34Å; F173-N177 PolarHBondContact O-N 2.87Å; F173-C232 HydrophobicContact CE1-CB 4.03Å; F173-C232 WeakPolarHBondContact CE1-O 3.46Å; F173-Q235 HydrophobicContact CZ-CB 4.27Å; F173-Q235 HydrophobicContact CZ-CG 4Å; F173-A236 HydrophobicContact CD1-CB 3.99Å; F173-A236 HydrophobicContact CE1-CB 4.05Å; F173-L257 HydrophobicContact CB-CD2 4.42Å; F173-L257 HydrophobicContact CB-CG 4.43Å; F173-L257 WeakPolarHBondContact O-CD2 3.34Å; F173-L260 HydrophobicContact CD1-CD2 4.39Å; F173-L260 HydrophobicContact CD2-CD2 4.07Å; F173-L260 HydrophobicContact CD2-CG 4.27Å; F173-L260 HydrophobicContact CE1-CD2 4.22Å; F173-L260 HydrophobicContact CE2-CD2 3.87Å; F173-L260 HydrophobicContact CE2-CG 4.09Å; F173-L260 HydrophobicContact CG-CD2 4.33Å; F173-L260 HydrophobicContact CZ-CD2 3.97Å; F173-I261 HydrophobicContact CB-CD1 4.03Å; F173-I261 HydrophobicContact CB-CG1 3.6Å; F173-I261 HydrophobicContact CD2-CG1 4.37Å; F173-I261 HydrophobicContact CG-CG1 4.48Å; F173-F264 HydrophobicContact CD2-CD1 4.48Å; F173-F264 AromaticContact CE2-CD1 3.61Å; F173-F264 HydrophobicContact CE2-CD1 3.61Å; F173-F264 HydrophobicContact CE2-CD2 4.16Å; F173-F264 AromaticContact CE2-CE1 3.62Å; F173-F264 HydrophobicContact CE2-CE1 3.62Å; F173-F264 HydrophobicContact CE2-CE2 4.18Å; F173-F264 AromaticContact CE2-CG 3.9Å; F173-F264 HydrophobicContact CE2-CG 3.9Å; F173-F264 AromaticContact CE2-CZ 3.92Å; F173-F264 HydrophobicContact CE2-CZ 3.92Å; F173-F264 HydrophobicContact CZ-CD1 4.42Å; F173-F264 AromaticContact CZ-CE1 3.99Å; F173-F264 HydrophobicContact CZ-CE1 3.99Å; F173-F264 HydrophobicContact CZ-CZ 4.15Å
174L91.6Very high87.2Confident11 Ų1124.6 Ų24.66%0.05814%0.135CC..Hα-helixtrans-66-37.2176-78.6170.2000112.4I170 K171 V172 N177 N178 I261 C339 L370I170-L174 HydrophobicContact CG2-CD1 3.73Å; I170-L174 HydrophobicContact CG2-CG 4.2Å; I170-L174 WeakPolarHBondContact O-CB 3.29Å; I170-L174 VanDerWaalsContact O-CG 3.26Å; I170-L174 WeakPolarHBondContact O-CG 3.41Å; I170-L174 PolarHBondContact O-N 3.07Å; K171-L174 PolarHBondContact O-N 3.19Å; V172-L174 VanDerWaalsContact C-N 3.32Å; V172-L174 PolarHBondContact O-N 2.88Å; L174-N177 PolarHBondContact O-N 3.02Å; L174-N178 WeakPolarHBondContact O-CB 3.38Å; L174-N178 PolarHBondContact O-N 3.33Å; L174-N178 PolarHBondContact O-ND2 3.09Å; L174-N178 PolarHBondContact O-OD1 3.39Å; L174-I261 HydrophobicContact CD2-CD1 3.97Å; L174-I261 HydrophobicContact CG-CD1 4.3Å; L174-C339 HydrophobicContact CD1-CB 3.85Å; L174-L370 HydrophobicContact CD2-CD1 3.65Å
175L90.3Very high85.9Confident24 Ų2433.4 Ų33.413%0.12617%0.168CC..Hα-helixtrans-66.3-50.3177.1-66.3157.6000110.6L161 K171 V172 F173 N177 N178 E179L161-L175 HydrophobicContact CD2-CD1 3.66Å; K171-L175 HydrophobicContact CG-CD1 4.34Å; K171-L175 WeakPolarHBondContact O-CD1 3.37Å; K171-L175 WeakPolarHBondContact O-CG 3.45Å; K171-L175 PolarHBondContact O-N 3.33Å; V172-L175 PolarHBondContact O-N 3.32Å; F173-L175 VanDerWaalsContact C-N 3.34Å; L175-N177 VanDerWaalsContact C-N 3.25Å; L175-N177 PolarHBondContact O-N 3.46Å; L175-N178 PolarHBondContact O-N 3.07Å; L175-N178 VanDerWaalsContact O-N 3.13Å; L175-E179 PolarHBondContact O-N 3.05Å
176L91.7Very high84.4Confident0 Ų034.1 Ų34.10%018%0.175CC..Hα-helixtrans-56.3-40.9174.5-66.5174.8000111.9V172 E179 I180 M194 L195 I233 A236 L257V172-L176 HydrophobicContact CG1-CD1 4.18Å; V172-L176 WeakPolarHBondContact O-CG 3.29Å; V172-L176 PolarHBondContact O-N 3.16Å; V172-L176 VanDerWaalsContact O-N 3.12Å; L176-E179 PolarHBondContact O-N 3.06Å; L176-I180 WeakPolarHBondContact O-CG1 3.38Å; L176-I180 PolarHBondContact O-N 3.08Å; L176-M194 HydrophobicContact CD2-CB 3.89Å; L176-M194 HydrophobicContact CD2-CE 3.34Å; L176-M194 HydrophobicContact CG-CE 4.44Å; L176-L195 HydrophobicContact CB-CD1 3.99Å; L176-L195 HydrophobicContact CB-CG 4.41Å; L176-L195 HydrophobicContact CD1-CD2 4.31Å; L176-L195 HydrophobicContact CD1-CG 4.49Å; L176-L195 HydrophobicContact CD2-CG 4.22Å; L176-I233 HydrophobicContact CD1-CD1 4Å; L176-I233 HydrophobicContact CD2-CD1 4.06Å; L176-I233 HydrophobicContact CG-CD1 4.49Å; L176-A236 HydrophobicContact CD1-CB 3.53Å; L176-L257 HydrophobicContact CB-CD2 3.49Å; L176-L257 VanDerWaalsContact CB-CD2 3.49Å; L176-L257 HydrophobicContact CD1-CD2 4.48Å
177N88.7Confident82.9Confident7 Ų737.1 Ų37.14%0.03721%0.208CC..Hα-helixtrans-65.5-43.1178.3-175.577.9000111.5F173 L174 L175 E179 I180 E181 S255 L257 I261F173-N177 VanDerWaalsContact O-CB 3.27Å; F173-N177 WeakPolarHBondContact O-CB 3.34Å; F173-N177 PolarHBondContact O-N 2.87Å; L174-N177 PolarHBondContact O-N 3.02Å; L175-N177 VanDerWaalsContact C-N 3.25Å; L175-N177 PolarHBondContact O-N 3.46Å; N177-E179 VanDerWaalsContact C-N 3.3Å; N177-E179 PolarHBondContact O-N 3.32Å; N177-I180 PolarHBondContact O-N 3.44Å; N177-E181 PolarHBondContact ND2-OE1 3.37Å; N177-E181 WeakPolarHBondContact O-CG 3.42Å; N177-E181 PolarHBondContact O-N 2.78Å; N177-S255 PolarHBondContact OD1-OG 3.4Å; N177-L257 HydrophobicContact CB-CB 4.47Å; N177-L257 HydrophobicContact CB-CD2 3.97Å; N177-I261 HydrophobicContact CB-CD1 4.2Å
178N85.9Confident81.5Confident64 Ų6445 Ų4534%0.34224%0.244SC..Hα-helixtrans-63.9-38.8178.4-66.4-21.9000110.9L174 L175 E181 T182L174-N178 WeakPolarHBondContact O-CB 3.38Å; L174-N178 PolarHBondContact O-N 3.33Å; L174-N178 PolarHBondContact O-ND2 3.09Å; L174-N178 PolarHBondContact O-OD1 3.39Å; L175-N178 PolarHBondContact O-N 3.07Å; L175-N178 VanDerWaalsContact O-N 3.13Å; N178-E181 PolarHBondContact O-N 3.35Å; N178-T182 WeakPolarHBondContact O-CG2 3.43Å; N178-T182 PolarHBondContact O-N 2.95Å; N178-T182 PolarHBondContact O-OG1 3.05Å
179E84.7Confident80.5Confident39 Ų3947.1 Ų47.118%0.18226%0.256CS..Hα-helixtrans-61.3-44.8173.6-73.1179.7-174.300112.1A157 L175 L176 N177 E181 T182 C183 M194A157-E179 WeakPolarHBondContact CB-OE1 3.47Å; L175-E179 PolarHBondContact O-N 3.05Å; L176-E179 PolarHBondContact O-N 3.06Å; N177-E179 VanDerWaalsContact C-N 3.3Å; N177-E179 PolarHBondContact O-N 3.32Å; E179-E181 PolarHBondContact O-N 3.08Å; E179-T182 WeakPolarHBondContact CA-OG1 3.45Å; E179-T182 PolarHBondContact O-N 3.37Å; E179-T182 PolarHBondContact O-OG1 3.14Å; E179-C183 WeakPolarHBondContact O-CB 3.16Å; E179-C183 PolarHBondContact O-N 3.3Å; E179-C183 PolarHBondContact O-SG 3.14Å; E179-M194 WeakPolarHBondContact OE1-CE 3.34Å; E179-M194 WeakPolarHBondContact OE2-CB 3.33Å; E179-M194 VanDerWaalsContact OE2-CG 3.29Å; E179-M194 WeakPolarHBondContact OE2-CG 3.08Å; E179-M194 PolarHBondContact OE2-N 2.91Å
180I81.3Confident79.4Confident12 Ų1252.1 Ų52.16%0.06228%0.275CS..Hα-helixtrans-58.6-49.7174.2-66.6165.4000110.2L176 N177 T182 C183 S184 L195 Y240 L257L176-I180 WeakPolarHBondContact O-CG1 3.38Å; L176-I180 PolarHBondContact O-N 3.08Å; N177-I180 PolarHBondContact O-N 3.44Å; I180-T182 VanDerWaalsContact C-N 3.28Å; I180-T182 PolarHBondContact O-N 2.9Å; I180-C183 PolarHBondContact O-N 3.19Å; I180-C183 VanDerWaalsContact O-N 3.1Å; I180-S184 PolarHBondContact O-N 3.36Å; I180-S184 PolarHBondContact O-OG 3.36Å; I180-L195 HydrophobicContact CD1-CD1 3.29Å; I180-L195 HydrophobicContact CD1-CG 4.47Å; I180-L195 HydrophobicContact CG1-CD1 4.05Å; I180-Y240 HydrophobicContact CD1-CD2 4.19Å; I180-Y240 HydrophobicContact CD1-CE2 4.01Å; I180-L257 HydrophobicContact CD1-CB 4.49Å
181E79.4Confident78.7Confident77 Ų7758.7 Ų58.736%0.3631%0.306SS..Hα-helixtrans-62.2-32.3-177.4-74-178.1-16900113.1N177 N178 E179N177-E181 PolarHBondContact ND2-OE1 3.37Å; N177-E181 WeakPolarHBondContact O-CG 3.42Å; N177-E181 PolarHBondContact O-N 2.78Å; N178-E181 PolarHBondContact O-N 3.35Å; E179-E181 PolarHBondContact O-N 3.08Å
182T78.5Confident78.2Confident81 Ų8161 Ų6150%0.49732%0.316SS..Hα-helixtrans-75.4-38173.553.70000111.7N178 E179 I180N178-T182 WeakPolarHBondContact O-CG2 3.43Å; N178-T182 PolarHBondContact O-N 2.95Å; N178-T182 PolarHBondContact O-OG1 3.05Å; E179-T182 WeakPolarHBondContact CA-OG1 3.45Å; E179-T182 PolarHBondContact O-N 3.37Å; E179-T182 PolarHBondContact O-OG1 3.14Å; I180-T182 VanDerWaalsContact C-N 3.28Å; I180-T182 PolarHBondContact O-N 2.9Å
183C73.9Confident77.8Confident10 Ų1060.9 Ų60.97%0.06832%0.316CS..Hα-helixtrans-69.6-39.7-179.8-65.20000112.8E179 I180 R185 S186 N189 C193E179-C183 WeakPolarHBondContact O-CB 3.16Å; E179-C183 PolarHBondContact O-N 3.3Å; E179-C183 PolarHBondContact O-SG 3.14Å; I180-C183 PolarHBondContact O-N 3.19Å; I180-C183 VanDerWaalsContact O-N 3.1Å; C183-R185 PolarHBondContact O-N 3Å; C183-R185 VanDerWaalsContact O-N 3.11Å; C183-S186 CarbonylContact O-C 3.32Å; C183-S186 PolarHBondContact O-N 3.1Å; C183-N189 HydrophobicContact CB-CB 3.99Å; C183-N189 WeakPolarHBondContact CB-O 3.42Å; C183-N189 PolarHBondContact SG-O 3.2Å; C183-C193 HydrophobicContact CB-CB 4.43Å
184S66.7Low77.6Confident83 Ų8361 Ų6158%0.5832%0.316SS*.THydrogen-bonded Turntrans-62.9-18.8-179.4-53.90000114.5I180 S186I180-S184 PolarHBondContact O-N 3.36Å; I180-S184 PolarHBondContact O-OG 3.36Å; S184-S186 VanDerWaalsContact C-N 3.33Å
185R60.5Low77.6Confident212 Ų21260.5 Ų60.580%0.831%0.314SS*.THydrogen-bonded Turntrans-80-15.1-179.5-68.2179.9-176.4174.13.8113.7C183C183-R185 PolarHBondContact O-N 3Å; C183-R185 VanDerWaalsContact O-N 3.11Å
186S57.6Low77.5Confident44 Ų4461.4 Ų61.431%0.30832%0.32SS..SBendtrans-145.896.8-174.652.30000107C183 S184 E188 N189C183-S186 CarbonylContact O-C 3.32Å; C183-S186 PolarHBondContact O-N 3.1Å; S184-S186 VanDerWaalsContact C-N 3.33Å; S186-E188 PolarHBondContact O-N 3.02Å; S186-N189 WeakPolarHBondContact O-CB 3.28Å; S186-N189 PolarHBondContact O-N 3.42Å; S186-N189 WeakPolarHBondContact OG-CB 3.33Å; S186-N189 PolarHBondContact OG-ND2 3.1Å
187G57.6Low77.6Confident72 Ų7264.2 Ų64.274%0.74233%0.333SS*.G310 helixtrans-47.3-28.6-169.300000115.9N189 Y190G187-N189 PolarHBondContact O-N 3.05Å; G187-Y190 PolarHBondContact O-N 3.19Å
188E60.4Low77.9Confident174 Ų17464.7 Ų64.781%0.81333%0.334SS*.G310 helixtrans-64.6-16.5174-64.6-179.3172.700115.2S186S186-E188 PolarHBondContact O-N 3.02Å
189N70.8Confident78.4Confident47 Ų4768.5 Ų68.525%0.25134%0.344SS..G310 helixtrans-91.1-8-177.3-78.5-18.6000113.4C183 S186 G187 E191 K192C183-N189 HydrophobicContact CB-CB 3.99Å; C183-N189 WeakPolarHBondContact CB-O 3.42Å; C183-N189 PolarHBondContact SG-O 3.2Å; S186-N189 WeakPolarHBondContact O-CB 3.28Å; S186-N189 PolarHBondContact O-N 3.42Å; S186-N189 WeakPolarHBondContact OG-CB 3.33Å; S186-N189 PolarHBondContact OG-ND2 3.1Å; G187-N189 PolarHBondContact O-N 3.05Å; N189-E191 VanDerWaalsContact C-N 3.33Å; N189-E191 PolarHBondContact O-N 2.98Å; N189-K192 WeakPolarHBondContact O-CB 3.41Å; N189-K192 PolarHBondContact O-N 3.44Å; N189-K192 PolarHBondContact OD1-NZ 3.36Å; N189-K192 VanDerWaalsContact OD1-NZ 3.07Å
190Y72.4Confident79Confident105 Ų10568.8 Ų68.841%0.41235%0.35SS..G310 helixtrans-62-39.9-177.3-171.6-102.8000112.6G187 K192 C193 T196 Y240G187-Y190 PolarHBondContact O-N 3.19Å; Y190-K192 PolarHBondContact O-N 3.46Å; Y190-C193 VanDerWaalsContact O-CB 3.25Å; Y190-C193 WeakPolarHBondContact O-CB 3.22Å; Y190-C193 PolarHBondContact O-N 3.03Å; Y190-C193 VanDerWaalsContact O-N 3.1Å; Y190-T196 HydrophobicContact CD1-CG2 3.71Å; Y190-T196 HydrophobicContact CD2-CG2 4.31Å; Y190-T196 HydrophobicContact CE1-CG2 3.28Å; Y190-T196 HydrophobicContact CE2-CG2 3.94Å; Y190-T196 HydrophobicContact CG-CG2 4.21Å; Y190-T196 VanDerWaalsContact CZ-CG2 3.41Å; Y190-T196 WeakPolarHBondContact O-CG2 3.4Å; Y190-Y240 VanDerWaalsContact CE2-OH 3.29Å; Y190-Y240 WeakPolarHBondContact CE2-OH 3.39Å; Y190-Y240 PolarHBondContact OH-OH 2.69Å
191E77.5Confident79.8Confident138 Ų13868.2 Ų68.265%0.64535%0.347SS*.G310 helixtrans-64.4-17.9174.7-64.5-176.1172.900113.5L151 N189 H197L151-E191 HydrophobicContact CD1-CB 4.41Å; N189-E191 VanDerWaalsContact C-N 3.33Å; N189-E191 PolarHBondContact O-N 2.98Å; E191-H197 PolarHBondContact O-CE1 3.44Å; E191-H197 PolarHBondContact O-ND1 2.81Å
192K82.2Confident80.7Confident78 Ų7865.7 Ų65.734%0.33934%0.335SS..G310 helixtrans-88.8-5.8177.8-57.8175.4-173.4163.60112.6L151 E153 N189 Y190L151-K192 HydrophobicContact CD1-CG 3.98Å; E153-K192 HydrophobicContact CG-CD 4.27Å; N189-K192 WeakPolarHBondContact O-CB 3.41Å; N189-K192 PolarHBondContact O-N 3.44Å; N189-K192 PolarHBondContact OD1-NZ 3.36Å; N189-K192 VanDerWaalsContact OD1-NZ 3.07Å; Y190-K192 PolarHBondContact O-N 3.46Å
193C87.3Confident81.6Confident1 Ų164.7 Ų64.71%0.00733%0.329CS..  trans-74.2133.6-178.9-174.70000110.4C183 Y190 L195 T196C183-C193 HydrophobicContact CB-CB 4.43Å; Y190-C193 VanDerWaalsContact O-CB 3.25Å; Y190-C193 WeakPolarHBondContact O-CB 3.22Å; Y190-C193 PolarHBondContact O-N 3.03Å; Y190-C193 VanDerWaalsContact O-N 3.1Å; C193-L195 PolarHBondContact O-N 3.03Å; C193-T196 HydrophobicContact CB-CG2 4.23Å; C193-T196 PolarHBondContact O-N 3.43Å; C193-T196 PolarHBondContact O-OG1 3.25Å
194M91.3Very high82.8Confident2 Ų264.2 Ų64.21%0.0133%0.325CS..G310 helixtrans-59.8-31.6176.9-74.4-156.9-62.200113A157 I158 L161 L176 E179 T196 H197 W198 I201A157-M194 HydrophobicContact CB-CE 4.05Å; A157-M194 HydrophobicContact CB-CG 3.73Å; A157-M194 HydrophobicContact CB-SD 3.43Å; A157-M194 WeakPolarHBondContact CB-SD 3.5Å; I158-M194 HydrophobicContact CG1-SD 4.09Å; L161-M194 HydrophobicContact CD1-CE 3.45Å; L161-M194 VanDerWaalsContact CD1-CE 3.45Å; L161-M194 HydrophobicContact CD1-SD 4.04Å; L161-M194 HydrophobicContact CG-CE 4.17Å; L176-M194 HydrophobicContact CD2-CB 3.89Å; L176-M194 HydrophobicContact CD2-CE 3.34Å; L176-M194 HydrophobicContact CG-CE 4.44Å; E179-M194 WeakPolarHBondContact OE1-CE 3.34Å; E179-M194 WeakPolarHBondContact OE2-CB 3.33Å; E179-M194 VanDerWaalsContact OE2-CG 3.29Å; E179-M194 WeakPolarHBondContact OE2-CG 3.08Å; E179-M194 PolarHBondContact OE2-N 2.91Å; M194-T196 PolarHBondContact O-N 3.13Å; M194-H197 CarbonylContact O-C 3.56Å; M194-H197 VanDerWaalsContact O-C 3.32Å; M194-H197 PolarHBondContact O-N 3.28Å; M194-H197 VanDerWaalsContact O-N 3.16Å; M194-W198 WeakPolarHBondContact O-CA 3.47Å; M194-W198 PolarHBondContact O-N 3.37Å; M194-I201 HydrophobicContact CB-CD1 3.51Å; M194-I201 HydrophobicContact CG-CD1 3.59Å; M194-I201 WeakPolarHBondContact O-CD1 3.43Å; M194-I201 HydrophobicContact SD-CD1 3.96Å
195L89.7Confident84.3Confident1 Ų160.2 Ų60.21%0.00530%0.298CS..G310 helixtrans-73.5-24.6-175.5-82171.4000114.3L176 I180 C193 H197 W198 A236 Y240 L257L176-L195 HydrophobicContact CB-CD1 3.99Å; L176-L195 HydrophobicContact CB-CG 4.41Å; L176-L195 HydrophobicContact CD1-CD2 4.31Å; L176-L195 HydrophobicContact CD1-CG 4.49Å; L176-L195 HydrophobicContact CD2-CG 4.22Å; I180-L195 HydrophobicContact CD1-CD1 3.29Å; I180-L195 HydrophobicContact CD1-CG 4.47Å; I180-L195 HydrophobicContact CG1-CD1 4.05Å; C193-L195 PolarHBondContact O-N 3.03Å; L195-H197 PolarHBondContact O-N 3.41Å; L195-W198 HydrophobicContact CD2-CB 4.19Å; L195-W198 VanDerWaalsContact O-CD1 3.24Å; L195-W198 PolarHBondContact O-N 3.14Å; L195-A236 HydrophobicContact CD2-CB 3.9Å; L195-Y240 HydrophobicContact CB-CG 4.46Å; L195-Y240 HydrophobicContact CD1-CD2 4.38Å; L195-L257 HydrophobicContact CD1-CD2 3.88Å
196T88.9Confident86.1Confident43 Ų4354 Ų5426%0.26428%0.278SS..G310 helixtrans-69-23.3172.1590000111.6Y190 C193 M194Y190-T196 HydrophobicContact CD1-CG2 3.71Å; Y190-T196 HydrophobicContact CD2-CG2 4.31Å; Y190-T196 HydrophobicContact CE1-CG2 3.28Å; Y190-T196 HydrophobicContact CE2-CG2 3.94Å; Y190-T196 HydrophobicContact CG-CG2 4.21Å; Y190-T196 VanDerWaalsContact CZ-CG2 3.41Å; Y190-T196 WeakPolarHBondContact O-CG2 3.4Å; C193-T196 HydrophobicContact CB-CG2 4.23Å; C193-T196 PolarHBondContact O-N 3.43Å; C193-T196 PolarHBondContact O-OG1 3.25Å; M194-T196 PolarHBondContact O-N 3.13Å
197H93.2Very high87.9Confident58 Ų5855.2 Ų55.227%0.26928%0.281SS..G310 helixtrans-114.119.7-177.6-63.4108.2000113L150 H154 E191 M194 L195 R199 C200 I201L150-H197 HydrophobicContact CD2-CB 3.59Å; H154-H197 AromaticContact CE1-CE1 3.97Å; H154-H197 AromaticContact CE1-ND1 3.46Å; H154-H197 PolarHBondContact CE1-ND1 3.42Å; H154-H197 AromaticContact NE2-ND1 3.32Å; H154-H197 PolarHBondContact NE2-ND1 3.02Å; E191-H197 PolarHBondContact O-CE1 3.44Å; E191-H197 PolarHBondContact O-ND1 2.81Å; M194-H197 CarbonylContact O-C 3.56Å; M194-H197 VanDerWaalsContact O-C 3.32Å; M194-H197 PolarHBondContact O-N 3.28Å; M194-H197 VanDerWaalsContact O-N 3.16Å; L195-H197 PolarHBondContact O-N 3.41Å; H197-R199 PolarHBondContact O-N 3.09Å; H197-R199 VanDerWaalsContact O-N 3.08Å; H197-C200 PolarHBondContact O-N 3.08Å; H197-I201 HydrophobicContact CB-CD1 4.44Å; H197-I201 WeakPolarHBondContact O-CG1 3.42Å; H197-I201 PolarHBondContact O-N 3.46Å; H197-I201 VanDerWaalsContact O-N 3.09Å
198W95.6Very high89.8Confident18 Ų1851.8 Ų51.87%0.06825%0.245CC..Hα-helixtrans-58.3-32.5-168.576.7-101.2000113.4M194 L195 I201 H202 I233 R234 G237 E238 D241M194-W198 WeakPolarHBondContact O-CA 3.47Å; M194-W198 PolarHBondContact O-N 3.37Å; L195-W198 HydrophobicContact CD2-CB 4.19Å; L195-W198 VanDerWaalsContact O-CD1 3.24Å; L195-W198 PolarHBondContact O-N 3.14Å; W198-I201 PolarHBondContact O-N 2.93Å; W198-H202 HydrophobicContact CE3-CB 4.29Å; W198-H202 HydrophobicContact CZ3-CB 4.48Å; W198-H202 WeakPolarHBondContact O-CB 3.33Å; W198-H202 PolarHBondContact O-N 3.19Å; W198-I233 HydrophobicContact CB-CG2 4.01Å; W198-I233 WeakPolarHBondContact O-CG2 3.25Å; W198-R234 HydrophobicContact CH2-CG 4.19Å; W198-R234 HydrophobicContact CZ3-CB 3.99Å; W198-R234 HydrophobicContact CZ3-CG 3.78Å; W198-G237 VanDerWaalsContact CD1-CA 3.47Å; W198-G237 VanDerWaalsContact CG-CA 3.47Å; W198-E238 HydrophobicContact CH2-CG 3.85Å; W198-E238 HydrophobicContact CZ2-CG 4.12Å; W198-D241 PolarHBondContact NE1-OD1 3.37Å; W198-D241 PolarHBondContact NE1-OD2 2.78Å
199R97.6Very high91.5Very high144 Ų14443.5 Ų43.554%0.54321%0.207SC..Hα-helixtrans-63.2-47.2178-68.8179175.872.65.8111.6H197 H202 T203 D241H197-R199 PolarHBondContact O-N 3.09Å; H197-R199 VanDerWaalsContact O-N 3.08Å; R199-H202 WeakPolarHBondContact O-CB 3.33Å; R199-H202 PolarHBondContact O-N 3.2Å; R199-T203 PolarHBondContact O-N 3.16Å; R199-T203 VanDerWaalsContact O-N 3.08Å; R199-T203 PolarHBondContact O-OG1 3.06Å; R199-T203 VanDerWaalsContact O-OG1 3.14Å; R199-D241 IonicContact CZ-OD2 2.76Å; R199-D241 IonicContact NH1-OD2 2.61Å; R199-D241 PolarHBondContact NH1-OD2 3.28Å; R199-D241 IonicContact NH2-OD2 3.76Å; R199-D241 PolarHBondContact NH2-OD2 3.44Å
200C97.4Very high92.6Very high45 Ų4545 Ų4530%0.30422%0.215SC..Hα-helixtrans-63-46.3176-62.50000110.4L150 H197 H202 T203 I204L150-C200 HydrophobicContact CD1-CB 3.87Å; L150-C200 HydrophobicContact CD2-CB 3.89Å; L150-C200 HydrophobicContact CG-CB 4.08Å; H197-C200 PolarHBondContact O-N 3.08Å; C200-H202 VanDerWaalsContact C-N 3.33Å; C200-H202 PolarHBondContact O-N 2.94Å; C200-T203 WeakPolarHBondContact O-CB 3.41Å; C200-T203 PolarHBondContact O-N 3.35Å; C200-I204 WeakPolarHBondContact O-CG1 3.4Å; C200-I204 PolarHBondContact O-N 3Å
201I97.5Very high93.6Very high0 Ų044.2 Ų44.20%021%0.214CC..Hα-helixtrans-64.1-38.6-179.6-61179000111.7L150 I158 M194 H197 W198 I204 F205 I233L150-I201 HydrophobicContact CD1-CG1 3.88Å; I158-I201 HydrophobicContact CD1-CD1 4.46Å; I158-I201 HydrophobicContact CD1-CG1 4.1Å; I158-I201 HydrophobicContact CD1-CG2 4.16Å; I158-I201 HydrophobicContact CG1-CG2 4.03Å; M194-I201 HydrophobicContact CB-CD1 3.51Å; M194-I201 HydrophobicContact CG-CD1 3.59Å; M194-I201 WeakPolarHBondContact O-CD1 3.43Å; M194-I201 HydrophobicContact SD-CD1 3.96Å; H197-I201 HydrophobicContact CB-CD1 4.44Å; H197-I201 WeakPolarHBondContact O-CG1 3.42Å; H197-I201 PolarHBondContact O-N 3.46Å; H197-I201 VanDerWaalsContact O-N 3.09Å; W198-I201 PolarHBondContact O-N 2.93Å; I201-I204 WeakPolarHBondContact O-CB 3.46Å; I201-I204 PolarHBondContact O-N 3.44Å; I201-F205 HydrophobicContact CG2-CD2 4.02Å; I201-F205 HydrophobicContact CG2-CE2 3.79Å; I201-F205 VanDerWaalsContact O-CD2 3.32Å; I201-F205 WeakPolarHBondContact O-CD2 3.42Å; I201-F205 PolarHBondContact O-N 3.31Å; I201-F205 VanDerWaalsContact O-N 3.14Å; I201-I233 HydrophobicContact CB-CG2 4.31Å; I201-I233 HydrophobicContact CG2-CG1 4.24Å; I201-I233 HydrophobicContact CG2-CG2 4.18Å
202H98.1Very high94.2Very high24 Ų2439.5 Ų39.511%0.11119%0.19CC..Hα-helixtrans-56.7-51.3171.7170.9-95.1000111.1W198 R199 C200 I204 F205 E206 A230 I233W198-H202 HydrophobicContact CE3-CB 4.29Å; W198-H202 HydrophobicContact CZ3-CB 4.48Å; W198-H202 WeakPolarHBondContact O-CB 3.33Å; W198-H202 PolarHBondContact O-N 3.19Å; R199-H202 WeakPolarHBondContact O-CB 3.33Å; R199-H202 PolarHBondContact O-N 3.2Å; C200-H202 VanDerWaalsContact C-N 3.33Å; C200-H202 PolarHBondContact O-N 2.94Å; H202-I204 VanDerWaalsContact C-N 3.3Å; H202-I204 PolarHBondContact O-N 3.48Å; H202-F205 PolarHBondContact O-N 3.31Å; H202-F205 VanDerWaalsContact O-N 3.1Å; H202-E206 IonicContact CE1-OE1 2.73Å; H202-E206 PolarHBondContact CE1-OE1 3.38Å; H202-E206 IonicContact CE1-OE2 2.57Å; H202-E206 PolarHBondContact CE1-OE2 2.93Å; H202-E206 IonicContact ND1-OE2 2.82Å; H202-E206 PolarHBondContact ND1-OE2 3.08Å; H202-E206 IonicContact NE2-OE1 3.67Å; H202-E206 PolarHBondContact O-N 3.46Å; H202-A230 PolarHBondContact CD2-O 2.9Å; H202-I233 HydrophobicContact CB-CG2 4.31Å
203T98.2Very high94.7Very high59 Ų5936.5 Ų36.536%0.36218%0.177SC..Hα-helixtrans-59.2-39.4177.3-590000112.1R199 C200 F205 E206 D207R199-T203 PolarHBondContact O-N 3.16Å; R199-T203 VanDerWaalsContact O-N 3.08Å; R199-T203 PolarHBondContact O-OG1 3.06Å; R199-T203 VanDerWaalsContact O-OG1 3.14Å; C200-T203 WeakPolarHBondContact O-CB 3.41Å; C200-T203 PolarHBondContact O-N 3.35Å; T203-F205 VanDerWaalsContact C-N 3.32Å; T203-F205 PolarHBondContact O-N 3.39Å; T203-E206 PolarHBondContact O-N 3.13Å; T203-D207 PolarHBondContact O-N 3.12Å
204I98.3Very high94.3Very high0 Ų039.1 Ų39.10%019%0.193CC..Hα-helixtrans-57.5-45.4174.8-66.6176.6000111Y144 V145 L150 I158 C200 I201 H202 D207 L208Y144-I204 HydrophobicContact CG-CG2 4.17Å; V145-I204 HydrophobicContact CG2-CD1 4.03Å; L150-I204 HydrophobicContact CD1-CD1 3.83Å; I158-I204 HydrophobicContact CD1-CD1 4.02Å; C200-I204 WeakPolarHBondContact O-CG1 3.4Å; C200-I204 PolarHBondContact O-N 3Å; I201-I204 WeakPolarHBondContact O-CB 3.46Å; I201-I204 PolarHBondContact O-N 3.44Å; H202-I204 VanDerWaalsContact C-N 3.3Å; H202-I204 PolarHBondContact O-N 3.48Å; I204-D207 PolarHBondContact O-N 2.95Å; I204-L208 HydrophobicContact CG2-CD1 3.95Å; I204-L208 WeakPolarHBondContact O-CB 3.47Å; I204-L208 VanDerWaalsContact O-CG 3.3Å; I204-L208 WeakPolarHBondContact O-CG 3.43Å; I204-L208 PolarHBondContact O-N 3.41Å
205F98.3Very high92.8Very high0 Ų043.8 Ų43.80%022%0.224CC..Hα-helixtrans-69-33.8178-78.1-62.7000113.2I158 L161 V162 I201 H202 T203 L208 C209 F226 L229 A230 I233I158-F205 HydrophobicContact CG2-CE1 4.33Å; I158-F205 HydrophobicContact CG2-CE2 4.42Å; I158-F205 HydrophobicContact CG2-CZ 3.89Å; L161-F205 HydrophobicContact CB-CZ 4.29Å; L161-F205 HydrophobicContact CD1-CE2 4.41Å; L161-F205 HydrophobicContact CD1-CZ 4.34Å; V162-F205 HydrophobicContact CG2-CE1 3.73Å; V162-F205 HydrophobicContact CG2-CZ 4.35Å; I201-F205 HydrophobicContact CG2-CD2 4.02Å; I201-F205 HydrophobicContact CG2-CE2 3.79Å; I201-F205 VanDerWaalsContact O-CD2 3.32Å; I201-F205 WeakPolarHBondContact O-CD2 3.42Å; I201-F205 PolarHBondContact O-N 3.31Å; I201-F205 VanDerWaalsContact O-N 3.14Å; H202-F205 PolarHBondContact O-N 3.31Å; H202-F205 VanDerWaalsContact O-N 3.1Å; T203-F205 VanDerWaalsContact C-N 3.32Å; T203-F205 PolarHBondContact O-N 3.39Å; F205-L208 HydrophobicContact CD1-CD1 4.35Å; F205-C209 VanDerWaalsContact O-CB 3.29Å; F205-C209 WeakPolarHBondContact O-CB 3.49Å; F205-C209 PolarHBondContact O-N 3.13Å; F205-F226 HydrophobicContact CD1-CB 4.28Å; F205-F226 AromaticContact CD1-CD1 3.97Å; F205-F226 HydrophobicContact CD1-CD1 3.97Å; F205-F226 HydrophobicContact CE1-CD1 4.22Å; F205-L229 HydrophobicContact CD1-CB 3.97Å; F205-L229 HydrophobicContact CD1-CD1 4.23Å; F205-L229 HydrophobicContact CD2-CB 4.31Å; F205-L229 HydrophobicContact CE1-CB 3.9Å; F205-L229 HydrophobicContact CE1-CD1 3.54Å; F205-L229 HydrophobicContact CE1-CG 4.36Å; F205-L229 HydrophobicContact CE2-CB 4.24Å; F205-L229 HydrophobicContact CG-CB 4.19Å; F205-L229 HydrophobicContact CZ-CB 4.04Å; F205-L229 HydrophobicContact CZ-CD1 3.93Å; F205-A230 HydrophobicContact CB-CB 3.67Å; F205-I233 HydrophobicContact CD2-CG1 4.1Å; F205-I233 HydrophobicContact CE2-CG1 3.96Å
206E97.7Very high91.5Very high82 Ų8252.2 Ų52.238%0.38326%0.263SS..Hα-helixtrans-64.5-43.5172.1-69.6-175.3126.400111.6H202 T203 L208 C209 N210 A230H202-E206 IonicContact CE1-OE1 2.73Å; H202-E206 PolarHBondContact CE1-OE1 3.38Å; H202-E206 IonicContact CE1-OE2 2.57Å; H202-E206 PolarHBondContact CE1-OE2 2.93Å; H202-E206 IonicContact ND1-OE2 2.82Å; H202-E206 PolarHBondContact ND1-OE2 3.08Å; H202-E206 IonicContact NE2-OE1 3.67Å; H202-E206 PolarHBondContact O-N 3.46Å; T203-E206 PolarHBondContact O-N 3.13Å; E206-L208 PolarHBondContact O-N 3.07Å; E206-C209 WeakPolarHBondContact O-CB 3.49Å; E206-C209 PolarHBondContact O-N 2.89Å; E206-N210 PolarHBondContact O-N 3.38Å; E206-N210 PolarHBondContact O-ND2 3.26Å; E206-A230 HydrophobicContact CG-CB 4.35Å
207D96.8Very high90.3Very high68 Ų6856.4 Ų56.436%0.36428%0.282SS..Hα-helixtrans-64.6-41.1177.4-70.2-19.9000111.8Y144 T203 I204 N210 K211Y144-D207 HydrophobicContact CD1-CB 3.95Å; Y144-D207 HydrophobicContact CE1-CB 3.46Å; Y144-D207 VanDerWaalsContact CE1-CB 3.46Å; T203-D207 PolarHBondContact O-N 3.12Å; I204-D207 PolarHBondContact O-N 2.95Å; D207-N210 PolarHBondContact O-N 2.9Å; D207-K211 WeakPolarHBondContact O-CB 3.32Å; D207-K211 PolarHBondContact O-N 3.47Å
208L96Very high88.7Confident0 Ų056.2 Ų56.20%029%0.285CS..Hα-helixtrans-64.4-41.7173.5-73.7168.5000111.5I141 Y144 I204 F205 E206 N210 K211 Y212 F226I141-L208 HydrophobicContact CD1-CD1 3.54Å; Y144-L208 HydrophobicContact CD2-CD2 4.04Å; Y144-L208 HydrophobicContact CD2-CG 4.41Å; Y144-L208 HydrophobicContact CE2-CD2 3.56Å; Y144-L208 HydrophobicContact CE2-CG 4.19Å; I204-L208 HydrophobicContact CG2-CD1 3.95Å; I204-L208 WeakPolarHBondContact O-CB 3.47Å; I204-L208 VanDerWaalsContact O-CG 3.3Å; I204-L208 WeakPolarHBondContact O-CG 3.43Å; I204-L208 PolarHBondContact O-N 3.41Å; F205-L208 HydrophobicContact CD1-CD1 4.35Å; E206-L208 PolarHBondContact O-N 3.07Å; L208-N210 VanDerWaalsContact C-N 3.29Å; L208-N210 PolarHBondContact O-N 3.45Å; L208-K211 PolarHBondContact O-N 3.05Å; L208-Y212 HydrophobicContact CD2-CD2 4.42Å; L208-Y212 HydrophobicContact CD2-CE2 4.03Å; L208-Y212 WeakPolarHBondContact O-CD2 3.21Å; L208-Y212 PolarHBondContact O-N 3.18Å; L208-F226 HydrophobicContact CB-CB 4.32Å; L208-F226 HydrophobicContact CB-CD1 4.31Å; L208-F226 HydrophobicContact CB-CD2 3.63Å; L208-F226 HydrophobicContact CB-CE2 3.89Å; L208-F226 HydrophobicContact CB-CG 3.85Å; L208-F226 HydrophobicContact CB-CZ 4.34Å; L208-F226 HydrophobicContact CD1-CD1 4.43Å; L208-F226 HydrophobicContact CD1-CE1 4.34Å
209C95.9Very high88.2Confident1 Ų158.5 Ų58.51%0.00730%0.297CS..Hα-helixtrans-53.9-49174174.90000110.8F205 E206 F213 S223 F226F205-C209 VanDerWaalsContact O-CB 3.29Å; F205-C209 WeakPolarHBondContact O-CB 3.49Å; F205-C209 PolarHBondContact O-N 3.13Å; E206-C209 WeakPolarHBondContact O-CB 3.49Å; E206-C209 PolarHBondContact O-N 2.89Å; C209-F213 WeakPolarHBondContact O-CB 3.33Å; C209-F213 PolarHBondContact O-N 3.46Å; C209-S223 WeakPolarHBondContact O-CB 3.48Å; C209-S223 PolarHBondContact O-OG 3.46Å; C209-S223 PolarHBondContact SG-OG 3.41Å; C209-S223 VanDerWaalsContact SG-OG 3.37Å; C209-F226 HydrophobicContact CB-CB 4.12Å
210N94.3Very high87.8Confident78 Ų7853.1 Ų53.142%0.41728%0.278SS..Hα-helixtrans-66.3-44.2178.6-69.7-42.9000112.2E206 D207 L208 Y212 F213 H290E206-N210 PolarHBondContact O-N 3.38Å; E206-N210 PolarHBondContact O-ND2 3.26Å; D207-N210 PolarHBondContact O-N 2.9Å; L208-N210 VanDerWaalsContact C-N 3.29Å; L208-N210 PolarHBondContact O-N 3.45Å; N210-Y212 PolarHBondContact O-N 2.95Å; N210-F213 PolarHBondContact O-N 2.56Å; N210-H290 PolarHBondContact OD1-CE1 3.4Å; N210-H290 PolarHBondContact OD1-NE2 3.46Å
211K93.2Very high87.5Confident89 Ų8953.1 Ų53.139%0.38728%0.277SS..Hα-helixtrans-61.5-41.1-179.7174.4171.31731720112.4E140 Y144 D207 L208 F213 T214E140-K211 WeakPolarHBondContact OE1-CD 3.42Å; E140-K211 VanDerWaalsContact OE1-CE 3.24Å; E140-K211 WeakPolarHBondContact OE1-CE 3.42Å; E140-K211 IonicContact OE1-NZ 2.62Å; E140-K211 PolarHBondContact OE1-NZ 3.34Å; E140-K211 IonicContact OE2-NZ 3.2Å; E140-K211 PolarHBondContact OE2-NZ 3.33Å; Y144-K211 WeakPolarHBondContact OH-CD 3.12Å; D207-K211 WeakPolarHBondContact O-CB 3.32Å; D207-K211 PolarHBondContact O-N 3.47Å; L208-K211 PolarHBondContact O-N 3.05Å; K211-F213 VanDerWaalsContact C-N 3.31Å; K211-T214 VanDerWaalsContact O-CG2 3.25Å; K211-T214 WeakPolarHBondContact O-CG2 3.43Å
212Y91.7Very high87.3Confident39 Ų3953.5 Ų53.515%0.15328%0.279CS..Hα-helixtrans-85.2-6.3-176.9-79.2-95.7000113.5L136 L208 N210 T214 H219 L222 F226L136-Y212 HydrophobicContact CD1-CE1 4.33Å; L136-Y212 HydrophobicContact CD1-CE2 4.05Å; L136-Y212 WeakPolarHBondContact CD1-OH 3.37Å; L208-Y212 HydrophobicContact CD2-CD2 4.42Å; L208-Y212 HydrophobicContact CD2-CE2 4.03Å; L208-Y212 WeakPolarHBondContact O-CD2 3.21Å; L208-Y212 PolarHBondContact O-N 3.18Å; N210-Y212 PolarHBondContact O-N 2.95Å; Y212-T214 PolarHBondContact O-N 2.95Å; Y212-H219 HydrophobicContact CD1-CB 3.94Å; Y212-H219 AromaticContact CD1-CD2 3.91Å; Y212-H219 PolarHBondContact O-N 3.04Å; Y212-H219 VanDerWaalsContact O-N 3.1Å; Y212-L222 HydrophobicContact CD1-CD2 3.64Å; Y212-L222 HydrophobicContact CE1-CD2 3.69Å; Y212-L222 HydrophobicContact CG-CD2 4.22Å; Y212-F226 HydrophobicContact CD1-CE2 4.46Å; Y212-F226 HydrophobicContact CD2-CD2 4.31Å; Y212-F226 AromaticContact CD2-CE2 3.5Å; Y212-F226 HydrophobicContact CD2-CE2 3.5Å; Y212-F226 VanDerWaalsContact CD2-CE2 3.5Å; Y212-F226 HydrophobicContact CD2-CZ 4.34Å; Y212-F226 HydrophobicContact CE2-CE2 4.03Å; Y212-F226 HydrophobicContact CE2-CZ 4.46Å; Y212-F226 AromaticContact CG-CE2 3.75Å; Y212-F226 HydrophobicContact CG-CE2 3.75Å
213F91.6Very high87.1Confident15 Ų1552.4 Ų52.47%0.06627%0.274CS..  trans-95.653.6171.6-156.5-92.4000112.4C209 N210 K211 E220 F288 H290 Q292C209-F213 WeakPolarHBondContact O-CB 3.33Å; C209-F213 PolarHBondContact O-N 3.46Å; N210-F213 PolarHBondContact O-N 2.56Å; K211-F213 VanDerWaalsContact C-N 3.31Å; F213-E220 HydrophobicContact CD2-CG 4.27Å; F213-E220 HydrophobicContact CE2-CB 4.22Å; F213-E220 HydrophobicContact CE2-CG 3.75Å; F213-F288 HydrophobicContact CD2-CZ 4.21Å; F213-F288 HydrophobicContact CE2-CE1 4.48Å; F213-F288 HydrophobicContact CE2-CZ 4.49Å; F213-H290 WeakPolarHBondContact CB-CD2 3.44Å; F213-H290 WeakPolarHBondContact CB-NE2 3.28Å; F213-H290 HydrophobicContact CD1-CB 3.52Å; F213-H290 AromaticContact CD1-CD2 3.66Å; F213-H290 AromaticContact CD1-CG 3.31Å; F213-H290 AromaticContact CD1-ND1 3.63Å; F213-H290 HydrophobicContact CD2-CB 3.93Å; F213-H290 AromaticContact CD2-CD2 3.77Å; F213-H290 AromaticContact CD2-CG 3.99Å; F213-H290 HydrophobicContact CE1-CB 3.5Å; F213-H290 VanDerWaalsContact CE1-CB 3.5Å; F213-H290 AromaticContact CE1-CG 3.85Å; F213-H290 HydrophobicContact CE2-CB 3.89Å; F213-H290 HydrophobicContact CG-CB 3.78Å; F213-H290 AromaticContact CG-CD2 3.26Å; F213-H290 WeakPolarHBondContact CG-CD2 3.44Å; F213-H290 AromaticContact CG-CG 3.43Å; F213-H290 VanDerWaalsContact CG-CG 3.43Å; F213-H290 AromaticContact CG-NE2 3.81Å; F213-H290 HydrophobicContact CZ-CB 3.68Å; F213-Q292 HydrophobicContact CE1-CG 3.79Å; F213-Q292 HydrophobicContact CZ-CG 4.2Å
214T78.5Confident87Confident56 Ų5649.7 Ų49.734%0.34426%0.258SS..  trans-95.5120.5178.5450000111.8K211 Y212 H216 L217 T218K211-T214 VanDerWaalsContact O-CG2 3.25Å; K211-T214 WeakPolarHBondContact O-CG2 3.43Å; Y212-T214 PolarHBondContact O-N 2.95Å; T214-H216 PolarHBondContact O-N 3.04Å; T214-L217 CarbonylContact O-C 3.59Å; T214-L217 VanDerWaalsContact O-C 3.32Å; T214-L217 PolarHBondContact O-N 2.83Å; T214-T218 VanDerWaalsContact C-CG2 3.42Å; T214-T218 VanDerWaalsContact O-CA 3.3Å; T214-T218 WeakPolarHBondContact O-CA 3.44Å; T214-T218 WeakPolarHBondContact O-CG2 3.49Å; T214-T218 PolarHBondContact O-N 2.83Å
215P60.9Low86.9Confident100 Ų10049.8 Ų49.865%0.64926%0.258SS*.THydrogen-bonded Turntrans-49.2-30.5-170.9-31.735.3000117.1
216H62.2Low86.8Confident178 Ų17849.8 Ų49.882%0.82426%0.258SS*.THydrogen-bonded Turntrans-98.4-7.5-176.1-49.8-56.5000113.9T214T214-H216 PolarHBondContact O-N 3.04Å
217L63.6Low86.8Confident130 Ų13046.5 Ų46.568%0.68124%0.243SC*.SBendtrans-143.231.7-174.8-64.3171.4000110.2T214 H219T214-L217 CarbonylContact O-C 3.59Å; T214-L217 VanDerWaalsContact O-C 3.32Å; T214-L217 PolarHBondContact O-N 2.83Å; L217-H219 PolarHBondContact O-CD2 3.36Å; L217-H219 PolarHBondContact O-N 3.15Å; L217-H219 VanDerWaalsContact O-N 3.12Å
218T59.2Low86.9Confident54 Ų5443.5 Ų43.533%0.33123%0.227SC..  trans-65118.4-16642.60000111.5T214 E220T214-T218 VanDerWaalsContact C-CG2 3.42Å; T214-T218 VanDerWaalsContact O-CA 3.3Å; T214-T218 WeakPolarHBondContact O-CA 3.44Å; T214-T218 WeakPolarHBondContact O-CG2 3.49Å; T214-T218 PolarHBondContact O-N 2.83Å; T218-E220 VanDerWaalsContact C-N 3.32Å; T218-E220 HydrophobicContact CG2-CG 4.09Å
219H85.2Confident87Confident67 Ų6743.9 Ų43.931%0.3123%0.228SC..  trans-98.860.3161.5-62.9-80.7000108.1Y212 L217 P221 L222 S223Y212-H219 HydrophobicContact CD1-CB 3.94Å; Y212-H219 AromaticContact CD1-CD2 3.91Å; Y212-H219 PolarHBondContact O-N 3.04Å; Y212-H219 VanDerWaalsContact O-N 3.1Å; L217-H219 PolarHBondContact O-CD2 3.36Å; L217-H219 PolarHBondContact O-N 3.15Å; L217-H219 VanDerWaalsContact O-N 3.12Å; H219-P221 VanDerWaalsContact C-N 3.29Å; H219-L222 HydrophobicContact CB-CB 4.17Å; H219-L222 PolarHBondContact O-N 2.96Å; H219-S223 PolarHBondContact O-N 3.35Å
220E89.4Confident87.1Confident30 Ų3043.9 Ų43.914%0.1423%0.229CC..Hα-helixtrans-50.2-41.5-175.4-51.5-167.6-172.900113.8F213 T218 L222 S223 L224 S293 L295F213-E220 HydrophobicContact CD2-CG 4.27Å; F213-E220 HydrophobicContact CE2-CB 4.22Å; F213-E220 HydrophobicContact CE2-CG 3.75Å; T218-E220 VanDerWaalsContact C-N 3.32Å; T218-E220 HydrophobicContact CG2-CG 4.09Å; E220-L222 VanDerWaalsContact C-N 3.3Å; E220-L222 PolarHBondContact O-N 3.43Å; E220-S223 PolarHBondContact O-N 3.45Å; E220-L224 WeakPolarHBondContact O-CB 3.5Å; E220-L224 PolarHBondContact O-N 3.07Å; E220-S293 WeakPolarHBondContact OE2-CB 3.17Å; E220-S293 PolarHBondContact OE2-OG 2.94Å; E220-L295 HydrophobicContact CB-CB 4.4Å; E220-L295 HydrophobicContact CB-CD2 3.89Å; E220-L295 WeakPolarHBondContact OE2-CB 3.33Å; E220-L295 PolarHBondContact OE2-N 3.44Å
221P91.7Very high87.3Confident46 Ų4640.3 Ų40.330%0.29921%0.21SC..Hα-helixtrans-58.4-39.8176.1-24.834.7000113.5H219 K225 L295H219-P221 VanDerWaalsContact C-N 3.29Å; P221-K225 PolarHBondContact O-N 3.17Å; P221-L295 HydrophobicContact CB-CD2 4.45Å; P221-L295 HydrophobicContact CG-CD2 3.77Å
222L92.7Very high87.5Confident8 Ų836.2 Ų36.24%0.04219%0.192CC..Hα-helixtrans-75.2-40-178.3-163.567.8000111.2Y212 H219 E220 L224 K225 F226Y212-L222 HydrophobicContact CD1-CD2 3.64Å; Y212-L222 HydrophobicContact CE1-CD2 3.69Å; Y212-L222 HydrophobicContact CG-CD2 4.22Å; H219-L222 HydrophobicContact CB-CB 4.17Å; H219-L222 PolarHBondContact O-N 2.96Å; E220-L222 VanDerWaalsContact C-N 3.3Å; E220-L222 PolarHBondContact O-N 3.43Å; L222-L224 VanDerWaalsContact C-N 3.32Å; L222-L224 PolarHBondContact O-N 3.28Å; L222-K225 HydrophobicContact CD1-CD 4.18Å; L222-K225 WeakPolarHBondContact O-CB 3.32Å; L222-K225 PolarHBondContact O-N 3.14Å; L222-K225 VanDerWaalsContact O-N 3.14Å; L222-F226 HydrophobicContact CB-CE2 4.37Å; L222-F226 HydrophobicContact CD1-CE1 4.29Å; L222-F226 HydrophobicContact CD1-CE2 4.46Å; L222-F226 HydrophobicContact CD1-CZ 3.98Å; L222-F226 HydrophobicContact CD2-CE2 3.76Å; L222-F226 HydrophobicContact CD2-CZ 3.59Å; L222-F226 HydrophobicContact CG-CD2 4.28Å; L222-F226 HydrophobicContact CG-CE1 4.17Å; L222-F226 HydrophobicContact CG-CE2 3.5Å; L222-F226 VanDerWaalsContact CG-CE2 3.5Å; L222-F226 HydrophobicContact CG-CZ 3.44Å; L222-F226 VanDerWaalsContact CG-CZ 3.44Å; L222-F226 WeakPolarHBondContact O-CD2 3.44Å; L222-F226 VanDerWaalsContact O-CG 3.3Å; L222-F226 WeakPolarHBondContact O-CG 3.3Å; L222-F226 PolarHBondContact O-N 3.31Å
223S95Very high87.8Confident0 Ų034.5 Ų34.50%019%0.186CC..Hα-helixtrans-55.8-47170.6173.20000111.6C209 H219 E220 K225 F226 H227C209-S223 WeakPolarHBondContact O-CB 3.48Å; C209-S223 PolarHBondContact O-OG 3.46Å; C209-S223 PolarHBondContact SG-OG 3.41Å; C209-S223 VanDerWaalsContact SG-OG 3.37Å; H219-S223 PolarHBondContact O-N 3.35Å; E220-S223 PolarHBondContact O-N 3.45Å; S223-K225 VanDerWaalsContact C-N 3.32Å; S223-K225 PolarHBondContact O-N 3.16Å; S223-F226 PolarHBondContact O-N 3.02Å; S223-H227 PolarHBondContact O-N 2.61Å
224L95Very high88.1Confident3 Ų337.6 Ų37.62%0.01620%0.197CC..Hα-helixtrans-62-40.2176.2-174.762.1000112.1E220 L222 H227 L228 L285 F288 I299 L318 I322E220-L224 WeakPolarHBondContact O-CB 3.5Å; E220-L224 PolarHBondContact O-N 3.07Å; L222-L224 VanDerWaalsContact C-N 3.32Å; L222-L224 PolarHBondContact O-N 3.28Å; L224-H227 PolarHBondContact O-N 3.48Å; L224-L228 HydrophobicContact CG-CD1 4.48Å; L224-L228 WeakPolarHBondContact O-CG 3.36Å; L224-L228 PolarHBondContact O-N 3.49Å; L224-L285 HydrophobicContact CD1-CD2 3.86Å; L224-L285 HydrophobicContact CD2-CD2 4.37Å; L224-F288 HydrophobicContact CB-CE2 4.42Å; L224-F288 HydrophobicContact CD1-CD1 4.38Å; L224-F288 HydrophobicContact CD1-CD2 3.83Å; L224-F288 HydrophobicContact CD1-CE2 4.06Å; L224-F288 HydrophobicContact CD1-CG 4.01Å; L224-F288 HydrophobicContact CD1-CZ 4.41Å; L224-I299 HydrophobicContact CD2-CD1 3.39Å; L224-L318 HydrophobicContact CD2-CD2 3.93Å; L224-I322 HydrophobicContact CD2-CD1 4.43Å; L224-I322 HydrophobicContact CG-CD1 4.43Å
225K95.7Very high89Confident1 Ų137.4 Ų37.40%0.00419%0.192CC..Hα-helixtrans-60.7-46.5175.4-172.8-177.3-171175.30111.6N134 V162 Q164 I167 P221 L222 S223 H227 L228 L229 I322N134-K225 PolarHBondContact OD1-NZ 3.31Å; V162-K225 VanDerWaalsContact O-CE 3.28Å; V162-K225 WeakPolarHBondContact O-CE 3.47Å; V162-K225 PolarHBondContact O-NZ 3.05Å; Q164-K225 WeakPolarHBondContact O-CE 3.46Å; Q164-K225 PolarHBondContact O-NZ 3.37Å; I167-K225 HydrophobicContact CG2-CD 4.45Å; I167-K225 HydrophobicContact CG2-CG 4.15Å; P221-K225 PolarHBondContact O-N 3.17Å; L222-K225 HydrophobicContact CD1-CD 4.18Å; L222-K225 WeakPolarHBondContact O-CB 3.32Å; L222-K225 PolarHBondContact O-N 3.14Å; L222-K225 VanDerWaalsContact O-N 3.14Å; S223-K225 VanDerWaalsContact C-N 3.32Å; S223-K225 PolarHBondContact O-N 3.16Å; K225-H227 VanDerWaalsContact C-N 3.32Å; K225-H227 PolarHBondContact O-N 2.94Å; K225-L228 PolarHBondContact O-N 2.86Å; K225-L229 HydrophobicContact CG-CD1 4.37Å; K225-L229 WeakPolarHBondContact O-CG 3.48Å; K225-L229 PolarHBondContact O-N 2.87Å; K225-I322 HydrophobicContact CB-CD1 4.21Å; K225-I322 HydrophobicContact CB-CG2 4.14Å; K225-I322 HydrophobicContact CD-CG2 4.09Å; K225-I322 HydrophobicContact CG-CG2 4.35Å
226F97.4Very high90.7Very high0 Ų032.7 Ų32.70%016%0.161CC..Hα-helixtrans-60.8-42177.5-62-42000111.9L136 V162 F205 L208 C209 Y212 L222 S223 L228 L229 A230L136-F226 HydrophobicContact CD2-CE1 4.21Å; L136-F226 HydrophobicContact CD2-CZ 3.96Å; V162-F226 HydrophobicContact CB-CE1 4.41Å; V162-F226 HydrophobicContact CG1-CE1 3.77Å; V162-F226 HydrophobicContact CG1-CZ 4.4Å; V162-F226 HydrophobicContact CG2-CD1 4.33Å; V162-F226 HydrophobicContact CG2-CE1 3.79Å; F205-F226 HydrophobicContact CD1-CB 4.28Å; F205-F226 AromaticContact CD1-CD1 3.97Å; F205-F226 HydrophobicContact CD1-CD1 3.97Å; F205-F226 HydrophobicContact CE1-CD1 4.22Å; L208-F226 HydrophobicContact CB-CB 4.32Å; L208-F226 HydrophobicContact CB-CD1 4.31Å; L208-F226 HydrophobicContact CB-CD2 3.63Å; L208-F226 HydrophobicContact CB-CE2 3.89Å; L208-F226 HydrophobicContact CB-CG 3.85Å; L208-F226 HydrophobicContact CB-CZ 4.34Å; L208-F226 HydrophobicContact CD1-CD1 4.43Å; L208-F226 HydrophobicContact CD1-CE1 4.34Å; C209-F226 HydrophobicContact CB-CB 4.12Å; Y212-F226 HydrophobicContact CD1-CE2 4.46Å; Y212-F226 HydrophobicContact CD2-CD2 4.31Å; Y212-F226 AromaticContact CD2-CE2 3.5Å; Y212-F226 HydrophobicContact CD2-CE2 3.5Å; Y212-F226 VanDerWaalsContact CD2-CE2 3.5Å; Y212-F226 HydrophobicContact CD2-CZ 4.34Å; Y212-F226 HydrophobicContact CE2-CE2 4.03Å; Y212-F226 HydrophobicContact CE2-CZ 4.46Å; Y212-F226 AromaticContact CG-CE2 3.75Å; Y212-F226 HydrophobicContact CG-CE2 3.75Å; L222-F226 HydrophobicContact CB-CE2 4.37Å; L222-F226 HydrophobicContact CD1-CE1 4.29Å; L222-F226 HydrophobicContact CD1-CE2 4.46Å; L222-F226 HydrophobicContact CD1-CZ 3.98Å; L222-F226 HydrophobicContact CD2-CE2 3.76Å; L222-F226 HydrophobicContact CD2-CZ 3.59Å; L222-F226 HydrophobicContact CG-CD2 4.28Å; L222-F226 HydrophobicContact CG-CE1 4.17Å; L222-F226 HydrophobicContact CG-CE2 3.5Å; L222-F226 VanDerWaalsContact CG-CE2 3.5Å; L222-F226 HydrophobicContact CG-CZ 3.44Å; L222-F226 VanDerWaalsContact CG-CZ 3.44Å; L222-F226 WeakPolarHBondContact O-CD2 3.44Å; L222-F226 VanDerWaalsContact O-CG 3.3Å; L222-F226 WeakPolarHBondContact O-CG 3.3Å; L222-F226 PolarHBondContact O-N 3.31Å; S223-F226 PolarHBondContact O-N 3.02Å; F226-L228 PolarHBondContact O-N 2.93Å; F226-L229 PolarHBondContact O-N 3.06Å; F226-A230 WeakPolarHBondContact O-CB 3.37Å; F226-A230 PolarHBondContact O-N 3.04Å
227H97.7Very high92.2Very high14 Ų1424.2 Ų24.27%0.06512%0.122CC..Hα-helixtrans-60.2-44.2174.5179.770000113.2S223 L224 K225 L229 A230 C231 S284 S287 F288S223-H227 PolarHBondContact O-N 2.61Å; L224-H227 PolarHBondContact O-N 3.48Å; K225-H227 VanDerWaalsContact C-N 3.32Å; K225-H227 PolarHBondContact O-N 2.94Å; H227-L229 VanDerWaalsContact C-N 3.33Å; H227-L229 PolarHBondContact O-N 2.99Å; H227-A230 WeakPolarHBondContact O-CB 3.44Å; H227-A230 PolarHBondContact O-N 3.05Å; H227-C231 PolarHBondContact O-N 2.95Å; H227-C231 PolarHBondContact O-SG 3.25Å; H227-S284 PolarHBondContact CD2-O 3.17Å; H227-S284 VanDerWaalsContact CD2-O 3.31Å; H227-S284 PolarHBondContact NE2-O 2.75Å; H227-S287 PolarHBondContact CE1-O 2.76Å; H227-S287 PolarHBondContact CE1-OG 3.01Å; H227-S287 PolarHBondContact NE2-OG 3.4Å; H227-S287 VanDerWaalsContact NE2-OG 3.12Å; H227-F288 HydrophobicContact CB-CD2 3.64Å; H227-F288 HydrophobicContact CB-CE2 3.95Å; H227-F288 AromaticContact CD2-CD2 3.76Å; H227-F288 AromaticContact CG-CD2 3.6Å; H227-F288 WeakPolarHBondContact NE2-CA 3.16Å; H227-F288 PolarHBondContact NE2-N 2.95Å
228L97.9Very high93.7Very high5 Ų520.8 Ų20.83%0.02610%0.103CC..Hα-helixtrans-63.6-40.1176.6-68.4172.7000111.7I167 L224 K225 F226 C231 C232 L281 L318 I322I167-L228 HydrophobicContact CD1-CD1 4.32Å; L224-L228 HydrophobicContact CG-CD1 4.48Å; L224-L228 WeakPolarHBondContact O-CG 3.36Å; L224-L228 PolarHBondContact O-N 3.49Å; K225-L228 PolarHBondContact O-N 2.86Å; F226-L228 PolarHBondContact O-N 2.93Å; L228-C231 PolarHBondContact O-N 3.38Å; L228-C232 PolarHBondContact O-N 3.38Å; L228-C232 PolarHBondContact O-SG 2.98Å; L228-L281 HydrophobicContact CD2-CD2 4.37Å; L228-L318 HydrophobicContact CD1-CD1 4.02Å; L228-L318 HydrophobicContact CD1-CD2 4.17Å; L228-L318 HydrophobicContact CD2-CD1 4.41Å; L228-I322 HydrophobicContact CD1-CD1 3.87Å
229L98.1Very high95.3Very high7 Ų719.4 Ų19.44%0.0379%0.092CC..Hα-helixtrans-63.6-45.4173.8-71.1173.8000111.1V172 F205 K225 F226 H227 C231 C232 I233V172-L229 HydrophobicContact CG2-CD2 3.81Å; F205-L229 HydrophobicContact CD1-CB 3.97Å; F205-L229 HydrophobicContact CD1-CD1 4.23Å; F205-L229 HydrophobicContact CD2-CB 4.31Å; F205-L229 HydrophobicContact CE1-CB 3.9Å; F205-L229 HydrophobicContact CE1-CD1 3.54Å; F205-L229 HydrophobicContact CE1-CG 4.36Å; F205-L229 HydrophobicContact CE2-CB 4.24Å; F205-L229 HydrophobicContact CG-CB 4.19Å; F205-L229 HydrophobicContact CZ-CB 4.04Å; F205-L229 HydrophobicContact CZ-CD1 3.93Å; K225-L229 HydrophobicContact CG-CD1 4.37Å; K225-L229 WeakPolarHBondContact O-CG 3.48Å; K225-L229 PolarHBondContact O-N 2.87Å; F226-L229 PolarHBondContact O-N 3.06Å; H227-L229 VanDerWaalsContact C-N 3.33Å; H227-L229 PolarHBondContact O-N 2.99Å; L229-C231 VanDerWaalsContact C-N 3.33Å; L229-C231 PolarHBondContact O-N 3.25Å; L229-C232 WeakPolarHBondContact O-CB 3.33Å; L229-C232 PolarHBondContact O-N 3.19Å; L229-C232 VanDerWaalsContact O-N 3.08Å; L229-I233 WeakPolarHBondContact O-CG1 3.34Å; L229-I233 PolarHBondContact O-N 3.22Å
230A98.5Very high95.4Very high1 Ų117.9 Ų17.91%0.0088%0.084CC..Hα-helixtrans-54.4-50.2174.500000110.8H202 F205 E206 F226 H227 C232 I233 R234H202-A230 PolarHBondContact CD2-O 2.9Å; F205-A230 HydrophobicContact CB-CB 3.67Å; E206-A230 HydrophobicContact CG-CB 4.35Å; F226-A230 WeakPolarHBondContact O-CB 3.37Å; F226-A230 PolarHBondContact O-N 3.04Å; H227-A230 WeakPolarHBondContact O-CB 3.44Å; H227-A230 PolarHBondContact O-N 3.05Å; A230-C232 VanDerWaalsContact C-N 3.29Å; A230-C232 PolarHBondContact O-N 3.14Å; A230-I233 PolarHBondContact O-N 3.47Å; A230-R234 WeakPolarHBondContact O-CB 3.12Å; A230-R234 PolarHBondContact O-N 3.36Å
231C98.5Very high95.4Very high4 Ų419.9 Ų19.93%0.02710%0.095CC..Hα-helixtrans-57.4-41.7177-68.40000112H227 L228 L229 Q235 F280 S284H227-C231 PolarHBondContact O-N 2.95Å; H227-C231 PolarHBondContact O-SG 3.25Å; L228-C231 PolarHBondContact O-N 3.38Å; L229-C231 VanDerWaalsContact C-N 3.33Å; L229-C231 PolarHBondContact O-N 3.25Å; C231-Q235 VanDerWaalsContact O-CB 3.31Å; C231-Q235 WeakPolarHBondContact O-CB 3.12Å; C231-Q235 PolarHBondContact O-N 2.91Å; C231-F280 HydrophobicContact CB-CZ 3.96Å; C231-S284 WeakPolarHBondContact CB-OG 3.41Å
232C98.1Very high95.1Very high3 Ų325 Ų252%0.0211%0.112CC..Hα-helixtrans-65.4-47.3176.7-66.30000111.9V172 F173 L228 L229 A230 R234 Q235 A236V172-C232 HydrophobicContact CB-CB 4.09Å; V172-C232 HydrophobicContact CG1-CB 3.75Å; V172-C232 HydrophobicContact CG2-CB 4.3Å; F173-C232 HydrophobicContact CE1-CB 4.03Å; F173-C232 WeakPolarHBondContact CE1-O 3.46Å; L228-C232 PolarHBondContact O-N 3.38Å; L228-C232 PolarHBondContact O-SG 2.98Å; L229-C232 WeakPolarHBondContact O-CB 3.33Å; L229-C232 PolarHBondContact O-N 3.19Å; L229-C232 VanDerWaalsContact O-N 3.08Å; A230-C232 VanDerWaalsContact C-N 3.29Å; A230-C232 PolarHBondContact O-N 3.14Å; C232-R234 VanDerWaalsContact C-N 3.32Å; C232-R234 PolarHBondContact O-N 2.94Å; C232-Q235 PolarHBondContact O-N 3.46Å; C232-A236 WeakPolarHBondContact O-CB 3.45Å; C232-A236 PolarHBondContact O-N 3.2Å
233I97.8Very high93.8Very high2 Ų232.2 Ų32.21%0.0115%0.146CC..Hα-helixtrans-59.2-45.5178.3-65.5-54.4000110.5L161 V172 L176 W198 I201 H202 F205 L229 A230 A236 G237L161-I233 HydrophobicContact CD1-CD1 4.01Å; V172-I233 HydrophobicContact CG1-CD1 4.31Å; L176-I233 HydrophobicContact CD1-CD1 4Å; L176-I233 HydrophobicContact CD2-CD1 4.06Å; L176-I233 HydrophobicContact CG-CD1 4.49Å; W198-I233 HydrophobicContact CB-CG2 4.01Å; W198-I233 WeakPolarHBondContact O-CG2 3.25Å; I201-I233 HydrophobicContact CB-CG2 4.31Å; I201-I233 HydrophobicContact CG2-CG1 4.24Å; I201-I233 HydrophobicContact CG2-CG2 4.18Å; H202-I233 HydrophobicContact CB-CG2 4.31Å; F205-I233 HydrophobicContact CD2-CG1 4.1Å; F205-I233 HydrophobicContact CE2-CG1 3.96Å; L229-I233 WeakPolarHBondContact O-CG1 3.34Å; L229-I233 PolarHBondContact O-N 3.22Å; A230-I233 PolarHBondContact O-N 3.47Å; I233-A236 PolarHBondContact O-N 3.29Å; I233-G237 PolarHBondContact O-N 2.95Å
234R97.8Very high92Very high80 Ų8033.8 Ų33.830%0.30216%0.156SC..Hα-helixtrans-62.4-46.2176.8-178.9168.765.276.22.2112.3W198 A230 C232 A236 G237 E238W198-R234 HydrophobicContact CH2-CG 4.19Å; W198-R234 HydrophobicContact CZ3-CB 3.99Å; W198-R234 HydrophobicContact CZ3-CG 3.78Å; A230-R234 WeakPolarHBondContact O-CB 3.12Å; A230-R234 PolarHBondContact O-N 3.36Å; C232-R234 VanDerWaalsContact C-N 3.32Å; C232-R234 PolarHBondContact O-N 2.94Å; R234-A236 VanDerWaalsContact C-N 3.31Å; R234-A236 PolarHBondContact O-N 3.36Å; R234-G237 PolarHBondContact O-N 3.47Å; R234-E238 WeakPolarHBondContact CD-OE1 3.34Å; R234-E238 HydrophobicContact CG-CG 4.07Å; R234-E238 WeakPolarHBondContact CG-OE1 3.15Å; R234-E238 IonicContact CZ-OE1 2.82Å; R234-E238 IonicContact NH1-OE1 3.84Å; R234-E238 PolarHBondContact NH1-OE1 2.93Å; R234-E238 IonicContact NH1-OE2 3.05Å; R234-E238 WeakPolarHBondContact O-CB 3.41Å; R234-E238 WeakPolarHBondContact O-CG 3.27Å; R234-E238 PolarHBondContact O-N 2.86Å
235Q97Very high89.9Confident53 Ų5342.2 Ų42.225%0.24820%0.196CC..Hα-helixtrans-60.3-41.7178.1-177.862.634.900112.2F173 C231 C232 Y239 L260 F264 F280F173-Q235 HydrophobicContact CZ-CB 4.27Å; F173-Q235 HydrophobicContact CZ-CG 4Å; C231-Q235 VanDerWaalsContact O-CB 3.31Å; C231-Q235 WeakPolarHBondContact O-CB 3.12Å; C231-Q235 PolarHBondContact O-N 2.91Å; C232-Q235 PolarHBondContact O-N 3.46Å; Q235-Y239 WeakPolarHBondContact O-CB 3.39Å; Q235-Y239 PolarHBondContact O-N 3.23Å; Q235-L260 HydrophobicContact CG-CD1 4.37Å; Q235-L260 HydrophobicContact CG-CD2 4.29Å; Q235-F264 HydrophobicContact CG-CE2 4.43Å; Q235-F264 HydrophobicContact CG-CZ 4.02Å; Q235-F280 HydrophobicContact CB-CE2 3.67Å; Q235-F280 HydrophobicContact CB-CZ 4.08Å; Q235-F280 HydrophobicContact CG-CD2 4.29Å; Q235-F280 HydrophobicContact CG-CE2 3.81Å; Q235-F280 HydrophobicContact CG-CZ 4.48Å
236A95.6Very high87.8Confident0 Ų044.6 Ų44.60%021%0.21CC..Hα-helixtrans-68.6-44.7177.400000111.7F173 L176 L195 C232 I233 R234 Y239 Y240 L257 L260F173-A236 HydrophobicContact CD1-CB 3.99Å; F173-A236 HydrophobicContact CE1-CB 4.05Å; L176-A236 HydrophobicContact CD1-CB 3.53Å; L195-A236 HydrophobicContact CD2-CB 3.9Å; C232-A236 WeakPolarHBondContact O-CB 3.45Å; C232-A236 PolarHBondContact O-N 3.2Å; I233-A236 PolarHBondContact O-N 3.29Å; R234-A236 VanDerWaalsContact C-N 3.31Å; R234-A236 PolarHBondContact O-N 3.36Å; A236-Y239 PolarHBondContact O-N 3.06Å; A236-Y240 WeakPolarHBondContact O-CB 3.45Å; A236-Y240 PolarHBondContact O-N 3.39Å; A236-L257 HydrophobicContact CB-CD1 3.69Å; A236-L260 HydrophobicContact CB-CD2 4.44Å
237G94.9Very high85.4Confident0 Ų051 Ų510%025%0.25CC..Hα-helixtrans-66.4-47179.700000113.9W198 I233 R234 Y239 Y240 D241W198-G237 VanDerWaalsContact CD1-CA 3.47Å; W198-G237 VanDerWaalsContact CG-CA 3.47Å; I233-G237 PolarHBondContact O-N 2.95Å; R234-G237 PolarHBondContact O-N 3.47Å; G237-Y239 PolarHBondContact O-N 2.98Å; G237-Y240 WeakPolarHBondContact O-CB 3.24Å; G237-Y240 PolarHBondContact O-N 3.32Å; G237-Y240 VanDerWaalsContact O-N 3.11Å; G237-D241 PolarHBondContact O-N 3.37Å
238E94.4Very high83.1Confident58 Ų5855.1 Ų55.127%0.27127%0.272SS..Hα-helixtrans-62-33.6174.6-72.3178.5-163.300112.1W198 R234 K242W198-E238 HydrophobicContact CH2-CG 3.85Å; W198-E238 HydrophobicContact CZ2-CG 4.12Å; R234-E238 WeakPolarHBondContact CD-OE1 3.34Å; R234-E238 HydrophobicContact CG-CG 4.07Å; R234-E238 WeakPolarHBondContact CG-OE1 3.15Å; R234-E238 IonicContact CZ-OE1 2.82Å; R234-E238 IonicContact NH1-OE1 3.84Å; R234-E238 PolarHBondContact NH1-OE1 2.93Å; R234-E238 IonicContact NH1-OE2 3.05Å; R234-E238 WeakPolarHBondContact O-CB 3.41Å; R234-E238 WeakPolarHBondContact O-CG 3.27Å; R234-E238 PolarHBondContact O-N 2.86Å; E238-K242 WeakPolarHBondContact O-CD 3.39Å; E238-K242 WeakPolarHBondContact O-CG 3.17Å; E238-K242 PolarHBondContact O-N 2.92Å
239Y92.3Very high80.8Confident25 Ų2560.9 Ų60.910%0.09831%0.307CS..Hα-helixtrans-72-37.3174.6-164.2-84.5000111.9Q235 A236 G237 P244 P256 Q259 L260 K263Q235-Y239 WeakPolarHBondContact O-CB 3.39Å; Q235-Y239 PolarHBondContact O-N 3.23Å; A236-Y239 PolarHBondContact O-N 3.06Å; G237-Y239 PolarHBondContact O-N 2.98Å; Y239-P244 HydrophobicContact CE1-CB 4.49Å; Y239-P244 HydrophobicContact CE1-CG 3.88Å; Y239-P256 WeakPolarHBondContact CE1-O 3.46Å; Y239-Q259 HydrophobicContact CE1-CB 4.19Å; Y239-Q259 WeakPolarHBondContact OH-CB 3.48Å; Y239-Q259 PolarHBondContact OH-OE1 3.49Å; Y239-L260 HydrophobicContact CD1-CB 3.92Å; Y239-L260 HydrophobicContact CD2-CB 4.21Å; Y239-L260 HydrophobicContact CD2-CD1 3.78Å; Y239-L260 HydrophobicContact CD2-CG 4.47Å; Y239-L260 HydrophobicContact CE1-CB 4.11Å; Y239-L260 HydrophobicContact CE2-CB 4.35Å; Y239-L260 HydrophobicContact CE2-CD1 4.22Å; Y239-L260 HydrophobicContact CG-CB 3.99Å; Y239-L260 HydrophobicContact CG-CD1 4.15Å; Y239-L260 HydrophobicContact CG-CD2 4.37Å; Y239-L260 HydrophobicContact CG-CG 4.39Å; Y239-K263 HydrophobicContact CE2-CD 4.23Å; Y239-K263 PolarHBondContact OH-NZ 3.28Å
240Y88.7Confident78.5Confident36 Ų3668.4 Ų68.414%0.14134%0.342CS..Hα-helixtrans-63.1-49.1177.2-175-100.5000111.5I180 Y190 L195 A236 G237 K242 E243I180-Y240 HydrophobicContact CD1-CD2 4.19Å; I180-Y240 HydrophobicContact CD1-CE2 4.01Å; Y190-Y240 VanDerWaalsContact CE2-OH 3.29Å; Y190-Y240 WeakPolarHBondContact CE2-OH 3.39Å; Y190-Y240 PolarHBondContact OH-OH 2.69Å; L195-Y240 HydrophobicContact CB-CG 4.46Å; L195-Y240 HydrophobicContact CD1-CD2 4.38Å; A236-Y240 WeakPolarHBondContact O-CB 3.45Å; A236-Y240 PolarHBondContact O-N 3.39Å; G237-Y240 WeakPolarHBondContact O-CB 3.24Å; G237-Y240 PolarHBondContact O-N 3.32Å; G237-Y240 VanDerWaalsContact O-N 3.11Å; Y240-K242 VanDerWaalsContact C-N 3.27Å; Y240-K242 PolarHBondContact O-N 3.17Å; Y240-E243 PolarHBondContact O-N 3.11Å
241D88.5Confident76.1Confident71 Ų7170.1 Ų70.138%0.3835%0.351SS..Hα-helixtrans-66.5-26.4-178.5-71.1-3.8000113.5W198 R199 G237 E243W198-D241 PolarHBondContact NE1-OD1 3.37Å; W198-D241 PolarHBondContact NE1-OD2 2.78Å; R199-D241 IonicContact CZ-OD2 2.76Å; R199-D241 IonicContact NH1-OD2 2.61Å; R199-D241 PolarHBondContact NH1-OD2 3.28Å; R199-D241 IonicContact NH2-OD2 3.76Å; R199-D241 PolarHBondContact NH2-OD2 3.44Å; G237-D241 PolarHBondContact O-N 3.37Å; D241-E243 PolarHBondContact O-N 3.01Å
242K84.7Confident73.7Confident153 Ų15375.9 Ų75.967%0.66538%0.378SS*.THydrogen-bonded Turntrans-74.9-5.1-178.3-79.9172.8-1731690114.1E238 Y240E238-K242 WeakPolarHBondContact O-CD 3.39Å; E238-K242 WeakPolarHBondContact O-CG 3.17Å; E238-K242 PolarHBondContact O-N 2.92Å; Y240-K242 VanDerWaalsContact C-N 3.27Å; Y240-K242 PolarHBondContact O-N 3.17Å
243E66.3Low71.6Confident161 Ų16179.7 Ų79.775%0.75241%0.409SS*.  trans28.583-173.2-76.7-165168.900112.3Y240 D241 E245Y240-E243 PolarHBondContact O-N 3.11Å; D241-E243 PolarHBondContact O-N 3.01Å; E243-E245 PolarHBondContact O-N 3.33Å; E243-E245 VanDerWaalsContact O-N 3.08Å
244P56.4Low69.8Low33 Ų3382.7 Ų82.721%0.21442%0.422CS..  trans-57.3123.6-171.524.2-34000110.5Y239 T246 P256Y239-P244 HydrophobicContact CE1-CB 4.49Å; Y239-P244 HydrophobicContact CE1-CG 3.88Å; P244-T246 PolarHBondContact O-N 2.99Å; P244-P256 HydrophobicContact CG-CB 4.44Å
245E52.4Low68.5Low180 Ų18080.1 Ų80.184%0.84142%0.416SS*.  trans-51.7102.1169.4-70.2-179.4175.200108.5E243 T247E243-E245 PolarHBondContact O-N 3.33Å; E243-E245 VanDerWaalsContact O-N 3.08Å; E245-T247 PolarHBondContact O-N 3.28Å
246T50.2Low67.5Low50 Ų5079.5 Ų79.531%0.30742%0.417SS..  trans-71102.1177.643.30000107.9P244 H252P244-T246 PolarHBondContact O-N 2.99Å; T246-H252 PolarHBondContact OG1-CE1 2.93Å; T246-H252 PolarHBondContact OG1-ND1 2.72Å; T246-H252 VanDerWaalsContact OG1-ND1 3.1Å
247T48.5Very low67.1Low135 Ų13579.5 Ų79.583%0.82842%0.417SS*.  trans-80.7-16.7177.843.20000113.1E245E245-T247 PolarHBondContact O-N 3.28Å
248D47.6Very low66.7Low100 Ų10081.3 Ų81.354%0.53543%0.425SS..  trans-107.8124-179.2-112-33.3000111.8Q250 D251D248-Q250 PolarHBondContact O-N 3.05Å; D248-Q250 VanDerWaalsContact O-N 3.08Å; D248-D251 HydrophobicContact CB-CB 4.06Å; D248-D251 WeakPolarHBondContact O-CA 3.33Å; D248-D251 PolarHBondContact O-N 2.95Å
249V50.1Low66.3Low126 Ų12679.7 Ų79.776%0.76442%0.417SS*.THydrogen-bonded Turntrans-58.4-25.2178.9-176.20000111.7
250Q50.3Low66.2Low165 Ų16578.6 Ų78.677%0.77141%0.413SS*.THydrogen-bonded Turntrans-79.1-19.5174.5-64.9-173.7-1.200113.8D248D248-Q250 PolarHBondContact O-N 3.05Å; D248-Q250 VanDerWaalsContact O-N 3.08Å
251D48.2Very low66.4Low38 Ų3877 Ų7720%0.20341%0.407CS..G310 helixtrans-89.1-14.2-176.5-99.4-6.2000113.6D248 A253 F254 R262D248-D251 HydrophobicContact CB-CB 4.06Å; D248-D251 WeakPolarHBondContact O-CA 3.33Å; D248-D251 PolarHBondContact O-N 2.95Å; D251-A253 PolarHBondContact O-N 3.49Å; D251-F254 PolarHBondContact O-N 3.03Å; D251-F254 WeakPolarHBondContact OD1-CD2 3.48Å; D251-R262 IonicContact OD1-CZ 3.42Å; D251-R262 IonicContact OD1-NH1 2.8Å; D251-R262 PolarHBondContact OD1-NH1 3.44Å; D251-R262 IonicContact OD1-NH2 2.7Å; D251-R262 IonicContact OD2-NH1 3.16Å
252H47.9Very low66.3Low125 Ų12575.8 Ų75.858%0.57940%0.397SS*.G310 helixtrans-55.8-19.6169.3-71.3-60.4000113.5T246 F254T246-H252 PolarHBondContact OG1-CE1 2.93Å; T246-H252 PolarHBondContact OG1-ND1 2.72Å; T246-H252 VanDerWaalsContact OG1-ND1 3.1Å; H252-F254 VanDerWaalsContact C-N 3.26Å; H252-F254 PolarHBondContact O-N 3.1Å
253A54.7Low66.5Low82 Ų8274.4 Ų74.468%0.67839%0.391SS*.G310 helixtrans-77.8-4.617700000114.1D251D251-A253 PolarHBondContact O-N 3.49Å
254F58.2Low67.7Low66 Ų6667.5 Ų67.529%0.28936%0.358SS..SBendtrans-117.8133.9-173.4-60.8-58.6000112.7D251 H252 K258 R262D251-F254 PolarHBondContact O-N 3.03Å; D251-F254 WeakPolarHBondContact OD1-CD2 3.48Å; H252-F254 VanDerWaalsContact C-N 3.26Å; H252-F254 PolarHBondContact O-N 3.1Å; F254-K258 HydrophobicContact CB-CB 4.32Å; F254-K258 HydrophobicContact CB-CD 4.08Å; F254-K258 HydrophobicContact CB-CG 4.42Å; F254-K258 HydrophobicContact CD1-CD 3.45Å; F254-K258 VanDerWaalsContact CD1-CD 3.45Å; F254-K258 HydrophobicContact CD1-CG 4.45Å; F254-K258 HydrophobicContact CE1-CD 4.21Å; F254-K258 HydrophobicContact CG-CD 4Å; F254-R262 VanDerWaalsContact CZ-NH2 3.31Å
255S71.4Confident69.2Low25 Ų2566 Ų6618%0.17535%0.348CS..  trans-52.9147.2171.355.80000111.2N177 L257 K258N177-S255 PolarHBondContact OD1-OG 3.4Å; S255-L257 PolarHBondContact O-N 3.09Å; S255-L257 VanDerWaalsContact O-N 3.13Å; S255-K258 WeakPolarHBondContact O-CB 3.36Å; S255-K258 PolarHBondContact O-N 3.31Å; S255-K258 WeakPolarHBondContact OG-CB 3.21Å
256P75.8Confident70.6Confident40 Ų4061 Ų6126%0.2633%0.33SS..Hα-helixtrans-50-42.8179.2-2934.5000112.6Y239 P244 K258 Q259 L260Y239-P256 WeakPolarHBondContact CE1-O 3.46Å; P244-P256 HydrophobicContact CG-CB 4.44Å; P256-K258 VanDerWaalsContact C-N 3.28Å; P256-K258 PolarHBondContact O-N 3.39Å; P256-Q259 WeakPolarHBondContact O-CB 3.47Å; P256-Q259 PolarHBondContact O-N 2.68Å; P256-Q259 VanDerWaalsContact O-N 3.1Å; P256-L260 PolarHBondContact O-N 3.03Å
257L87.9Confident71.6Confident1 Ų159.8 Ų59.81%0.00533%0.328CS..Hα-helixtrans-68.3-25.8-176.7-159.665000113.7F173 L176 N177 I180 L195 A236 S255 Q259 L260 I261F173-L257 HydrophobicContact CB-CD2 4.42Å; F173-L257 HydrophobicContact CB-CG 4.43Å; F173-L257 WeakPolarHBondContact O-CD2 3.34Å; L176-L257 HydrophobicContact CB-CD2 3.49Å; L176-L257 VanDerWaalsContact CB-CD2 3.49Å; L176-L257 HydrophobicContact CD1-CD2 4.48Å; N177-L257 HydrophobicContact CB-CB 4.47Å; N177-L257 HydrophobicContact CB-CD2 3.97Å; I180-L257 HydrophobicContact CD1-CB 4.49Å; L195-L257 HydrophobicContact CD1-CD2 3.88Å; A236-L257 HydrophobicContact CB-CD1 3.69Å; S255-L257 PolarHBondContact O-N 3.09Å; S255-L257 VanDerWaalsContact O-N 3.13Å; L257-Q259 VanDerWaalsContact C-N 3.27Å; L257-Q259 PolarHBondContact O-N 3.15Å; L257-L260 HydrophobicContact CD1-CB 4.23Å; L257-L260 HydrophobicContact CD1-CD2 3.59Å; L257-L260 WeakPolarHBondContact O-CB 3.19Å; L257-L260 PolarHBondContact O-N 3.35Å; L257-I261 WeakPolarHBondContact O-CG1 3.35Å; L257-I261 PolarHBondContact O-N 3.05Å
258K85.7Confident72.6Confident37 Ų3754.1 Ų54.116%0.16129%0.293CS..Hα-helixtrans-66.9-31174.6-171.6163.8176.4177.50112.1F254 S255 P256 R262F254-K258 HydrophobicContact CB-CB 4.32Å; F254-K258 HydrophobicContact CB-CD 4.08Å; F254-K258 HydrophobicContact CB-CG 4.42Å; F254-K258 HydrophobicContact CD1-CD 3.45Å; F254-K258 VanDerWaalsContact CD1-CD 3.45Å; F254-K258 HydrophobicContact CD1-CG 4.45Å; F254-K258 HydrophobicContact CE1-CD 4.21Å; F254-K258 HydrophobicContact CG-CD 4Å; S255-K258 WeakPolarHBondContact O-CB 3.36Å; S255-K258 PolarHBondContact O-N 3.31Å; S255-K258 WeakPolarHBondContact OG-CB 3.21Å; P256-K258 VanDerWaalsContact C-N 3.28Å; P256-K258 PolarHBondContact O-N 3.39Å; K258-R262 VanDerWaalsContact O-CG 3.32Å; K258-R262 WeakPolarHBondContact O-CG 3.44Å; K258-R262 PolarHBondContact O-N 2.94Å
259Q86.2Confident73.3Confident24 Ų2452.8 Ų52.811%0.11228%0.283CS..Hα-helixtrans-68.5-40.7172.4-58.7178.919.900111.5Y239 P256 L257 R262 K263Y239-Q259 HydrophobicContact CE1-CB 4.19Å; Y239-Q259 WeakPolarHBondContact OH-CB 3.48Å; Y239-Q259 PolarHBondContact OH-OE1 3.49Å; P256-Q259 WeakPolarHBondContact O-CB 3.47Å; P256-Q259 PolarHBondContact O-N 2.68Å; P256-Q259 VanDerWaalsContact O-N 3.1Å; L257-Q259 VanDerWaalsContact C-N 3.27Å; L257-Q259 PolarHBondContact O-N 3.15Å; Q259-R262 WeakPolarHBondContact O-CB 3.06Å; Q259-R262 PolarHBondContact O-N 3.49Å; Q259-K263 WeakPolarHBondContact O-CG 3.5Å; Q259-K263 PolarHBondContact O-N 2.92Å
260L91.5Very high73.9Confident3 Ų350.2 Ų50.22%0.01627%0.269CS..Hα-helixtrans-60.1-47.8172.7179.966.9000111.2F173 Q235 A236 Y239 P256 L257 R262 K263 F264F173-L260 HydrophobicContact CD1-CD2 4.39Å; F173-L260 HydrophobicContact CD2-CD2 4.07Å; F173-L260 HydrophobicContact CD2-CG 4.27Å; F173-L260 HydrophobicContact CE1-CD2 4.22Å; F173-L260 HydrophobicContact CE2-CD2 3.87Å; F173-L260 HydrophobicContact CE2-CG 4.09Å; F173-L260 HydrophobicContact CG-CD2 4.33Å; F173-L260 HydrophobicContact CZ-CD2 3.97Å; Q235-L260 HydrophobicContact CG-CD1 4.37Å; Q235-L260 HydrophobicContact CG-CD2 4.29Å; A236-L260 HydrophobicContact CB-CD2 4.44Å; Y239-L260 HydrophobicContact CD1-CB 3.92Å; Y239-L260 HydrophobicContact CD2-CB 4.21Å; Y239-L260 HydrophobicContact CD2-CD1 3.78Å; Y239-L260 HydrophobicContact CD2-CG 4.47Å; Y239-L260 HydrophobicContact CE1-CB 4.11Å; Y239-L260 HydrophobicContact CE2-CB 4.35Å; Y239-L260 HydrophobicContact CE2-CD1 4.22Å; Y239-L260 HydrophobicContact CG-CB 3.99Å; Y239-L260 HydrophobicContact CG-CD1 4.15Å; Y239-L260 HydrophobicContact CG-CD2 4.37Å; Y239-L260 HydrophobicContact CG-CG 4.39Å; P256-L260 PolarHBondContact O-N 3.03Å; L257-L260 HydrophobicContact CD1-CB 4.23Å; L257-L260 HydrophobicContact CD1-CD2 3.59Å; L257-L260 WeakPolarHBondContact O-CB 3.19Å; L257-L260 PolarHBondContact O-N 3.35Å; L260-R262 VanDerWaalsContact C-N 3.29Å; L260-R262 PolarHBondContact O-N 2.86Å; L260-K263 WeakPolarHBondContact O-CB 3.34Å; L260-K263 PolarHBondContact O-N 3.34Å; L260-K263 VanDerWaalsContact O-N 3.12Å; L260-F264 HydrophobicContact CD1-CD2 3.86Å; L260-F264 HydrophobicContact CD1-CE2 3.57Å; L260-F264 HydrophobicContact CG-CD2 4.27Å; L260-F264 HydrophobicContact CG-CE2 4.29Å; L260-F264 WeakPolarHBondContact O-CD2 3.47Å; L260-F264 PolarHBondContact O-N 2.97Å
261I91.5Very high74.6Confident1 Ų150.7 Ų50.71%0.00527%0.266CS..Hα-helixtrans-55.4-46.3176.4-72162.6000110.4I170 F173 L174 N177 L257 K263 F264 L265 L370I170-I261 HydrophobicContact CD1-CG2 4.18Å; F173-I261 HydrophobicContact CB-CD1 4.03Å; F173-I261 HydrophobicContact CB-CG1 3.6Å; F173-I261 HydrophobicContact CD2-CG1 4.37Å; F173-I261 HydrophobicContact CG-CG1 4.48Å; L174-I261 HydrophobicContact CD2-CD1 3.97Å; L174-I261 HydrophobicContact CG-CD1 4.3Å; N177-I261 HydrophobicContact CB-CD1 4.2Å; L257-I261 WeakPolarHBondContact O-CG1 3.35Å; L257-I261 PolarHBondContact O-N 3.05Å; I261-K263 PolarHBondContact O-N 3.12Å; I261-F264 PolarHBondContact O-N 3.33Å; I261-F264 VanDerWaalsContact O-N 3.16Å; I261-L265 HydrophobicContact CG2-CD1 3.67Å; I261-L265 HydrophobicContact CG2-CG 4.27Å; I261-L265 VanDerWaalsContact O-CG 3.28Å; I261-L265 WeakPolarHBondContact O-CG 3.4Å; I261-L265 PolarHBondContact O-N 3.46Å; I261-L370 HydrophobicContact CG2-CD1 3.67Å; I261-L370 HydrophobicContact CG2-CD2 4.08Å; I261-L370 HydrophobicContact CG2-CG 4.49Å
262R87.7Confident75.8Confident47 Ų4749.5 Ų49.518%0.17726%0.262CS..Hα-helixtrans-56.4-49.6176-74.7174.1180-176.23.1111.7D251 F254 K258 Q259 L260 F264 L265 V266 F373D251-R262 IonicContact OD1-CZ 3.42Å; D251-R262 IonicContact OD1-NH1 2.8Å; D251-R262 PolarHBondContact OD1-NH1 3.44Å; D251-R262 IonicContact OD1-NH2 2.7Å; D251-R262 IonicContact OD2-NH1 3.16Å; F254-R262 VanDerWaalsContact CZ-NH2 3.31Å; K258-R262 VanDerWaalsContact O-CG 3.32Å; K258-R262 WeakPolarHBondContact O-CG 3.44Å; K258-R262 PolarHBondContact O-N 2.94Å; Q259-R262 WeakPolarHBondContact O-CB 3.06Å; Q259-R262 PolarHBondContact O-N 3.49Å; L260-R262 VanDerWaalsContact C-N 3.29Å; L260-R262 PolarHBondContact O-N 2.86Å; R262-F264 PolarHBondContact O-N 2.92Å; R262-L265 PolarHBondContact O-N 3.33Å; R262-V266 WeakPolarHBondContact O-CG2 3.29Å; R262-V266 PolarHBondContact O-N 2.65Å; R262-F373 HydrophobicContact CG-CD1 4.48Å; R262-F373 HydrophobicContact CG-CD2 4.07Å; R262-F373 HydrophobicContact CG-CE1 4.11Å; R262-F373 HydrophobicContact CG-CE2 3.69Å; R262-F373 HydrophobicContact CG-CG 4.47Å; R262-F373 HydrophobicContact CG-CZ 3.72Å
263K87.8Confident77.4Confident124 Ų12444.2 Ų44.254%0.53924%0.238SC..Hα-helixtrans-54.5-40178-72.9173.2174.4169.70111.6Y239 Q259 L260 I261Y239-K263 HydrophobicContact CE2-CD 4.23Å; Y239-K263 PolarHBondContact OH-NZ 3.28Å; Q259-K263 WeakPolarHBondContact O-CG 3.5Å; Q259-K263 PolarHBondContact O-N 2.92Å; L260-K263 WeakPolarHBondContact O-CB 3.34Å; L260-K263 PolarHBondContact O-N 3.34Å; L260-K263 VanDerWaalsContact O-N 3.12Å; I261-K263 PolarHBondContact O-N 3.12Å
264F91.5Very high78.9Confident15 Ų1540.6 Ų40.67%0.06621%0.207CC..Hα-helixtrans-76.6-16.2178.6-86.3-120.6000114.3P169 I170 F173 Q235 L260 I261 R262 P274 Q277 F280P169-F264 HydrophobicContact CB-CD1 4.01Å; P169-F264 HydrophobicContact CB-CE1 3.98Å; I170-F264 HydrophobicContact CD1-CB 3.5Å; I170-F264 VanDerWaalsContact CD1-CB 3.5Å; F173-F264 HydrophobicContact CD2-CD1 4.48Å; F173-F264 AromaticContact CE2-CD1 3.61Å; F173-F264 HydrophobicContact CE2-CD1 3.61Å; F173-F264 HydrophobicContact CE2-CD2 4.16Å; F173-F264 AromaticContact CE2-CE1 3.62Å; F173-F264 HydrophobicContact CE2-CE1 3.62Å; F173-F264 HydrophobicContact CE2-CE2 4.18Å; F173-F264 AromaticContact CE2-CG 3.9Å; F173-F264 HydrophobicContact CE2-CG 3.9Å; F173-F264 AromaticContact CE2-CZ 3.92Å; F173-F264 HydrophobicContact CE2-CZ 3.92Å; F173-F264 HydrophobicContact CZ-CD1 4.42Å; F173-F264 AromaticContact CZ-CE1 3.99Å; F173-F264 HydrophobicContact CZ-CE1 3.99Å; F173-F264 HydrophobicContact CZ-CZ 4.15Å; Q235-F264 HydrophobicContact CG-CE2 4.43Å; Q235-F264 HydrophobicContact CG-CZ 4.02Å; L260-F264 HydrophobicContact CD1-CD2 3.86Å; L260-F264 HydrophobicContact CD1-CE2 3.57Å; L260-F264 HydrophobicContact CG-CD2 4.27Å; L260-F264 HydrophobicContact CG-CE2 4.29Å; L260-F264 WeakPolarHBondContact O-CD2 3.47Å; L260-F264 PolarHBondContact O-N 2.97Å; I261-F264 PolarHBondContact O-N 3.33Å; I261-F264 VanDerWaalsContact O-N 3.16Å; R262-F264 PolarHBondContact O-N 2.92Å; F264-P274 WeakPolarHBondContact O-CB 3.45Å; F264-Q277 HydrophobicContact CB-CG 3.99Å; F264-Q277 HydrophobicContact CD1-CB 4.48Å; F264-Q277 HydrophobicContact CD1-CG 3.61Å; F264-Q277 HydrophobicContact CG-CG 4.25Å; F264-Q277 WeakPolarHBondContact O-CG 3.3Å; F264-Q277 PolarHBondContact O-NE2 3.02Å; F264-F280 HydrophobicContact CE1-CB 3.59Å; F264-F280 AromaticContact CE1-CD1 3.81Å; F264-F280 HydrophobicContact CE1-CD1 3.81Å; F264-F280 HydrophobicContact CE1-CD2 4.01Å; F264-F280 AromaticContact CE1-CG 3.5Å; F264-F280 HydrophobicContact CE1-CG 3.5Å; F264-F280 HydrophobicContact CZ-CB 3.84Å; F264-F280 HydrophobicContact CZ-CD1 4.39Å; F264-F280 AromaticContact CZ-CD2 3.75Å; F264-F280 HydrophobicContact CZ-CD2 3.75Å; F264-F280 HydrophobicContact CZ-CE2 4.44Å; F264-F280 AromaticContact CZ-CG 3.72Å; F264-F280 HydrophobicContact CZ-CG 3.72Å
265L87.5Confident80.2Confident1 Ų141 Ų411%0.00521%0.212CC..Hα-helixtrans-96-9.8178.4-66.7173.4000113.4I170 I261 R262 T268 T338 L370 F373 T374I170-L265 HydrophobicContact CD1-CD2 3.57Å; I170-L265 HydrophobicContact CD1-CG 3.7Å; I170-L265 HydrophobicContact CG1-CD2 3.7Å; I170-L265 HydrophobicContact CG1-CG 4.39Å; I170-L265 HydrophobicContact CG2-CD2 4.22Å; I261-L265 HydrophobicContact CG2-CD1 3.67Å; I261-L265 HydrophobicContact CG2-CG 4.27Å; I261-L265 VanDerWaalsContact O-CG 3.28Å; I261-L265 WeakPolarHBondContact O-CG 3.4Å; I261-L265 PolarHBondContact O-N 3.46Å; R262-L265 PolarHBondContact O-N 3.33Å; L265-T268 PolarHBondContact O-OG1 3.34Å; L265-T268 VanDerWaalsContact O-OG1 3.12Å; L265-T338 HydrophobicContact CD1-CG2 4.02Å; L265-T338 HydrophobicContact CD2-CG2 4.14Å; L265-L370 HydrophobicContact CD1-CB 3.87Å; L265-L370 HydrophobicContact CD1-CD1 4.38Å; L265-L370 HydrophobicContact CD1-CD2 4.32Å; L265-L370 HydrophobicContact CD1-CG 4.42Å; L265-F373 HydrophobicContact CB-CB 3.87Å; L265-F373 HydrophobicContact CD1-CB 4.47Å; L265-T374 HydrophobicContact CB-CG2 3.84Å; L265-T374 HydrophobicContact CD1-CG2 4.44Å; L265-T374 HydrophobicContact CD2-CG2 3.46Å; L265-T374 VanDerWaalsContact CD2-CG2 3.46Å; L265-T374 HydrophobicContact CG-CG2 4.08Å
266V82.1Confident81Confident75 Ų7540.9 Ų40.946%0.45522%0.215SC..THydrogen-bonded Turntrans-69.6136.5-178.9179.60000111.5R262 P274R262-V266 WeakPolarHBondContact O-CG2 3.29Å; R262-V266 PolarHBondContact O-N 2.65Å; V266-P274 WeakPolarHBondContact O-CB 3.47Å
267G72.4Confident81.8Confident25 Ų2539.2 Ų39.226%0.25820%0.204SC..THydrogen-bonded Turntrans90.113.5165.200000115.3E269G267-E269 PolarHBondContact O-N 3.25Å
268T67.7Low81.9Confident17 Ų1739.1 Ų39.110%0.10420%0.203CC..  trans-55.3130.6176.1-250000111.8L265 G272 P274 T374 F378L265-T268 PolarHBondContact O-OG1 3.34Å; L265-T268 VanDerWaalsContact O-OG1 3.12Å; T268-G272 WeakPolarHBondContact CG2-O 3.33Å; T268-P274 HydrophobicContact CG2-CG 3.8Å; T268-P274 WeakPolarHBondContact OG1-CG 3.36Å; T268-T374 WeakPolarHBondContact OG1-CA 3.45Å; T268-F378 WeakPolarHBondContact O-CE2 3.48Å
269E64Low82.2Confident71 Ų7141.4 Ų41.433%0.33221%0.214SC..  trans-88.1163.2163.8-66.8-54.7138.800109.6G267 Y271 G272 K377G267-E269 PolarHBondContact O-N 3.25Å; E269-Y271 PolarHBondContact O-N 3.41Å; E269-G272 PolarHBondContact O-N 3.23Å; E269-G272 VanDerWaalsContact O-N 3.09Å; E269-K377 IonicContact OE1-NZ 3.99Å; E269-K377 PolarHBondContact OE1-NZ 3.14Å
270P62.4Low82.7Confident72 Ų7240.9 Ų40.947%0.46821%0.212SC..THydrogen-bonded Turntrans-57.8-32.3-169.1-1726.4000113.8F378P270-F378 HydrophobicContact CB-CD2 4.39Å; P270-F378 HydrophobicContact CB-CE1 4.45Å; P270-F378 HydrophobicContact CB-CE2 4.3Å; P270-F378 HydrophobicContact CB-CZ 4.37Å; P270-F378 HydrophobicContact CG-CD1 3.73Å; P270-F378 HydrophobicContact CG-CD2 4.22Å; P270-F378 HydrophobicContact CG-CE1 3.37Å; P270-F378 HydrophobicContact CG-CE2 3.87Å; P270-F378 HydrophobicContact CG-CG 4.17Å; P270-F378 HydrophobicContact CG-CZ 3.46Å; P270-F378 VanDerWaalsContact CG-CZ 3.46Å
271Y64.3Low82.9Confident176 Ų17640.8 Ų40.869%0.6921%0.211SC*.THydrogen-bonded Turntrans-117.6-0.8-178.4-52.5-68.8000111.6E269 M311E269-Y271 PolarHBondContact O-N 3.41Å; Y271-M311 WeakPolarHBondContact O-CG 3.49Å; Y271-M311 VanDerWaalsContact O-SD 3.33Å
272G73.1Confident83Confident13 Ų1343 Ų4313%0.13422%0.219CC..SBendtrans-93.8162.9-173.700000113.5T268 E269 G309T268-G272 WeakPolarHBondContact CG2-O 3.33Å; E269-G272 PolarHBondContact O-N 3.23Å; E269-G272 VanDerWaalsContact O-N 3.09Å; G272-G309 WeakPolarHBondContact CA-O 3.44Å
273L81.8Confident83.4Confident14 Ų1446.6 Ų46.67%0.07324%0.239CC..PPolyproline II helixtrans-83.6142.2164.2-166.366.6000109.1L275 Q277 E278 L281 T313 L315L273-L275 PolarHBondContact O-N 3.01Å; L273-Q277 HydrophobicContact CD1-CB 4.11Å; L273-Q277 HydrophobicContact CD2-CB 3.81Å; L273-Q277 HydrophobicContact CG-CB 3.67Å; L273-E278 HydrophobicContact CB-CB 4.42Å; L273-E278 HydrophobicContact CD2-CB 4.14Å; L273-E278 WeakPolarHBondContact CD2-OE2 3.37Å; L273-L281 HydrophobicContact CD2-CD1 3.67Å; L273-T313 HydrophobicContact CB-CG2 3.75Å; L273-L315 HydrophobicContact CD1-CB 4.33Å; L273-L315 HydrophobicContact CD1-CD2 3.81Å; L273-L315 HydrophobicContact CD2-CB 3.75Å
274P86.2Confident83.8Confident5 Ų540.9 Ų40.93%0.03221%0.214CC..PPolyproline II helixtrans-55.3142.8173.7-22.934.1000111F264 V266 T268 G276 Q277 E278F264-P274 WeakPolarHBondContact O-CB 3.45Å; V266-P274 WeakPolarHBondContact O-CB 3.47Å; T268-P274 HydrophobicContact CG2-CG 3.8Å; T268-P274 WeakPolarHBondContact OG1-CG 3.36Å; P274-G276 VanDerWaalsContact C-N 3.28Å; P274-G276 PolarHBondContact O-N 3.15Å; P274-Q277 VanDerWaalsContact CG-NE2 3.29Å; P274-Q277 WeakPolarHBondContact O-CB 3.26Å; P274-Q277 PolarHBondContact O-N 3.23Å; P274-E278 PolarHBondContact O-N 3.03Å
275L85.6Confident84Confident75 Ų7540.4 Ų40.439%0.39321%0.212SC..Hα-helixtrans-55.5-42.5-171.6-17763.1000112.7L273 Q277 E278 Q279 L308L273-L275 PolarHBondContact O-N 3.01Å; L275-Q277 PolarHBondContact O-N 3.02Å; L275-E278 PolarHBondContact O-N 3.48Å; L275-Q279 HydrophobicContact CD1-CG 4.23Å; L275-Q279 HydrophobicContact CG-CG 4.39Å; L275-Q279 WeakPolarHBondContact O-CB 3.46Å; L275-Q279 VanDerWaalsContact O-CG 3.29Å; L275-Q279 WeakPolarHBondContact O-CG 2.92Å; L275-Q279 PolarHBondContact O-N 3.4Å; L275-L308 HydrophobicContact CD1-CB 3.71Å; L275-L308 HydrophobicContact CD1-CD1 3.69Å; L275-L308 HydrophobicContact CD1-CG 4.23Å
276G88.6Confident84.2Confident22 Ų2244.7 Ų44.723%0.22724%0.239CC..Hα-helixtrans-63.6-38.6178.800000113.3P274 F280P274-G276 VanDerWaalsContact C-N 3.28Å; P274-G276 PolarHBondContact O-N 3.15Å; G276-F280 VanDerWaalsContact O-CB 3.23Å; G276-F280 WeakPolarHBondContact O-CB 3.27Å; G276-F280 PolarHBondContact O-N 2.73Å
277Q91.7Very high84.9Confident5 Ų543.9 Ų43.92%0.02324%0.236CC..Hα-helixtrans-67-45.2174.5-87.61788000112.1I170 F264 L273 P274 L275 F280 L281I170-Q277 HydrophobicContact CG1-CG 4.15Å; F264-Q277 HydrophobicContact CB-CG 3.99Å; F264-Q277 HydrophobicContact CD1-CB 4.48Å; F264-Q277 HydrophobicContact CD1-CG 3.61Å; F264-Q277 HydrophobicContact CG-CG 4.25Å; F264-Q277 WeakPolarHBondContact O-CG 3.3Å; F264-Q277 PolarHBondContact O-NE2 3.02Å; L273-Q277 HydrophobicContact CD1-CB 4.11Å; L273-Q277 HydrophobicContact CD2-CB 3.81Å; L273-Q277 HydrophobicContact CG-CB 3.67Å; P274-Q277 VanDerWaalsContact CG-NE2 3.29Å; P274-Q277 WeakPolarHBondContact O-CB 3.26Å; P274-Q277 PolarHBondContact O-N 3.23Å; L275-Q277 PolarHBondContact O-N 3.02Å; Q277-F280 PolarHBondContact O-N 3.23Å; Q277-L281 WeakPolarHBondContact O-CG 3.37Å; Q277-L281 PolarHBondContact O-N 2.94Å
278E90.9Very high86Confident0 Ų042.7 Ų42.70%022%0.224CC..Hα-helixtrans-62.4-45.2179.5-176.171.3-165.400111.2L273 P274 L275 L281 R282 L308 A314L273-E278 HydrophobicContact CB-CB 4.42Å; L273-E278 HydrophobicContact CD2-CB 4.14Å; L273-E278 WeakPolarHBondContact CD2-OE2 3.37Å; P274-E278 PolarHBondContact O-N 3.03Å; L275-E278 PolarHBondContact O-N 3.48Å; E278-L281 PolarHBondContact O-N 3.3Å; E278-R282 WeakPolarHBondContact O-CB 3.45Å; E278-R282 VanDerWaalsContact O-CG 3.3Å; E278-R282 WeakPolarHBondContact O-CG 3.44Å; E278-R282 PolarHBondContact O-N 3.35Å; E278-R282 IonicContact OE1-CZ 3.92Å; E278-R282 VanDerWaalsContact OE1-CZ 3.28Å; E278-R282 IonicContact OE1-NE 3.82Å; E278-R282 PolarHBondContact OE1-NE 3.42Å; E278-R282 IonicContact OE1-NH2 3.19Å; E278-R282 PolarHBondContact OE1-NH2 3.46Å; E278-L308 HydrophobicContact CB-CD2 4.38Å; E278-L308 HydrophobicContact CG-CD2 3.41Å; E278-L308 VanDerWaalsContact CG-CD2 3.41Å; E278-A314 VanDerWaalsContact OE1-CB 3.28Å; E278-A314 WeakPolarHBondContact OE1-CB 3.45Å; E278-A314 PolarHBondContact OE1-N 3Å; E278-A314 PolarHBondContact OE2-N 3.45Å
279Q92.7Very high87.3Confident84 Ų8445 Ų4539%0.39324%0.239SC..Hα-helixtrans-61.2-47175.4-74.7175.3-17.500111.6L275 L281 R282 Q283 L308L275-Q279 HydrophobicContact CD1-CG 4.23Å; L275-Q279 HydrophobicContact CG-CG 4.39Å; L275-Q279 WeakPolarHBondContact O-CB 3.46Å; L275-Q279 VanDerWaalsContact O-CG 3.29Å; L275-Q279 WeakPolarHBondContact O-CG 2.92Å; L275-Q279 PolarHBondContact O-N 3.4Å; Q279-L281 PolarHBondContact O-N 3.2Å; Q279-R282 PolarHBondContact O-N 3.19Å; Q279-Q283 WeakPolarHBondContact O-CB 3.49Å; Q279-Q283 VanDerWaalsContact O-CG 3.3Å; Q279-Q283 WeakPolarHBondContact O-CG 3.47Å; Q279-Q283 PolarHBondContact O-N 3.13Å; Q279-L308 HydrophobicContact CG-CD1 4.43Å
280F95.6Very high88.7Confident14 Ų1442.6 Ų42.66%0.06123%0.228CC..Hα-helixtrans-59.5-45.4178.9174-96.6000112.3P169 C231 Q235 F264 G276 Q277 Q283 S284P169-F280 HydrophobicContact CB-CD1 4.07Å; P169-F280 HydrophobicContact CB-CE1 4.09Å; P169-F280 HydrophobicContact CG-CD1 3.6Å; P169-F280 HydrophobicContact CG-CE1 3.84Å; C231-F280 HydrophobicContact CB-CZ 3.96Å; Q235-F280 HydrophobicContact CB-CE2 3.67Å; Q235-F280 HydrophobicContact CB-CZ 4.08Å; Q235-F280 HydrophobicContact CG-CD2 4.29Å; Q235-F280 HydrophobicContact CG-CE2 3.81Å; Q235-F280 HydrophobicContact CG-CZ 4.48Å; F264-F280 HydrophobicContact CE1-CB 3.59Å; F264-F280 AromaticContact CE1-CD1 3.81Å; F264-F280 HydrophobicContact CE1-CD1 3.81Å; F264-F280 HydrophobicContact CE1-CD2 4.01Å; F264-F280 AromaticContact CE1-CG 3.5Å; F264-F280 HydrophobicContact CE1-CG 3.5Å; F264-F280 HydrophobicContact CZ-CB 3.84Å; F264-F280 HydrophobicContact CZ-CD1 4.39Å; F264-F280 AromaticContact CZ-CD2 3.75Å; F264-F280 HydrophobicContact CZ-CD2 3.75Å; F264-F280 HydrophobicContact CZ-CE2 4.44Å; F264-F280 AromaticContact CZ-CG 3.72Å; F264-F280 HydrophobicContact CZ-CG 3.72Å; G276-F280 VanDerWaalsContact O-CB 3.23Å; G276-F280 WeakPolarHBondContact O-CB 3.27Å; G276-F280 PolarHBondContact O-N 2.73Å; Q277-F280 PolarHBondContact O-N 3.23Å; F280-Q283 PolarHBondContact O-N 3.32Å; F280-S284 WeakPolarHBondContact O-CB 3.26Å; F280-S284 PolarHBondContact O-N 3.4Å; F280-S284 PolarHBondContact O-OG 3.25Å
281L95.3Very high90.1Very high1 Ų143.8 Ų43.81%0.00523%0.227CC..Hα-helixtrans-64.9-41178.6-72.5173.5000111.9P169 L228 L273 Q277 E278 Q279 S284 L285 A314 L315 L318P169-L281 HydrophobicContact CG-CD2 3.82Å; P169-L281 HydrophobicContact CG-CG 4.05Å; L228-L281 HydrophobicContact CD2-CD2 4.37Å; L273-L281 HydrophobicContact CD2-CD1 3.67Å; Q277-L281 WeakPolarHBondContact O-CG 3.37Å; Q277-L281 PolarHBondContact O-N 2.94Å; E278-L281 PolarHBondContact O-N 3.3Å; Q279-L281 PolarHBondContact O-N 3.2Å; L281-S284 PolarHBondContact O-N 3.5Å; L281-L285 WeakPolarHBondContact O-CG 3.36Å; L281-L285 PolarHBondContact O-N 3.18Å; L281-A314 HydrophobicContact CB-CB 4.18Å; L281-L315 HydrophobicContact CD1-CB 3.62Å; L281-L315 HydrophobicContact CD1-CD1 4.14Å; L281-L315 HydrophobicContact CD1-CG 4.42Å; L281-L318 HydrophobicContact CB-CD1 4.38Å; L281-L318 HydrophobicContact CD2-CD1 4.16Å
282R94.9Very high91.3Very high46 Ų4640.7 Ų40.717%0.17422%0.219CC..Hα-helixtrans-64.3-42.5176.5-73.1173.9-179.5-116.35.9112E278 Q279 L285 T286 I303 L306 A314E278-R282 WeakPolarHBondContact O-CB 3.45Å; E278-R282 VanDerWaalsContact O-CG 3.3Å; E278-R282 WeakPolarHBondContact O-CG 3.44Å; E278-R282 PolarHBondContact O-N 3.35Å; E278-R282 IonicContact OE1-CZ 3.92Å; E278-R282 VanDerWaalsContact OE1-CZ 3.28Å; E278-R282 IonicContact OE1-NE 3.82Å; E278-R282 PolarHBondContact OE1-NE 3.42Å; E278-R282 IonicContact OE1-NH2 3.19Å; E278-R282 PolarHBondContact OE1-NH2 3.46Å; Q279-R282 PolarHBondContact O-N 3.19Å; R282-L285 WeakPolarHBondContact O-CB 3.37Å; R282-L285 PolarHBondContact O-N 3.47Å; R282-T286 PolarHBondContact O-N 3.19Å; R282-T286 VanDerWaalsContact O-N 3.08Å; R282-T286 PolarHBondContact O-OG1 2.91Å; R282-I303 HydrophobicContact CG-CG2 3.88Å; R282-I303 PolarHBondContact NH1-O 3.41Å; R282-I303 PolarHBondContact NH2-O 2.91Å; R282-L306 PolarHBondContact NH1-O 3.34Å; R282-L306 PolarHBondContact NH2-O 3.46Å; R282-A314 HydrophobicContact CG-CB 4.2Å
283Q95.4Very high92.2Very high124 Ų12440.1 Ų40.158%0.57921%0.213SC*.Hα-helixtrans-63.9-45174.8-72.9172.1-4.600111.6Q279 F280 L285 T286 S287Q279-Q283 WeakPolarHBondContact O-CB 3.49Å; Q279-Q283 VanDerWaalsContact O-CG 3.3Å; Q279-Q283 WeakPolarHBondContact O-CG 3.47Å; Q279-Q283 PolarHBondContact O-N 3.13Å; F280-Q283 PolarHBondContact O-N 3.32Å; Q283-L285 VanDerWaalsContact C-N 3.27Å; Q283-L285 PolarHBondContact O-N 3.17Å; Q283-T286 WeakPolarHBondContact CA-OG1 3.42Å; Q283-T286 PolarHBondContact O-N 3Å; Q283-T286 VanDerWaalsContact O-N 3.11Å; Q283-T286 PolarHBondContact O-OG1 3.05Å; Q283-S287 PolarHBondContact O-N 3.44Å; Q283-S287 VanDerWaalsContact O-N 3.09Å
284S97Very high92.6Very high4 Ų443.9 Ų43.93%0.02824%0.237CC..Hα-helixtrans-59.5-39.6176.2-56.90000111.2H227 C231 F280 L281 S287 F288H227-S284 PolarHBondContact CD2-O 3.17Å; H227-S284 VanDerWaalsContact CD2-O 3.31Å; H227-S284 PolarHBondContact NE2-O 2.75Å; C231-S284 WeakPolarHBondContact CB-OG 3.41Å; F280-S284 WeakPolarHBondContact O-CB 3.26Å; F280-S284 PolarHBondContact O-N 3.4Å; F280-S284 PolarHBondContact O-OG 3.25Å; L281-S284 PolarHBondContact O-N 3.5Å; S284-S287 PolarHBondContact O-N 3.44Å; S284-S287 PolarHBondContact O-OG 3.49Å; S284-F288 PolarHBondContact O-N 3.06Å
285L94.7Very high92.9Very high4 Ų445.8 Ų45.82%0.02125%0.246CC..Hα-helixtrans-63.6-42.3174.7-80.8169.7000112.6L224 L281 R282 Q283 S287 F288 W296 I299 I303 L318L224-L285 HydrophobicContact CD1-CD2 3.86Å; L224-L285 HydrophobicContact CD2-CD2 4.37Å; L281-L285 WeakPolarHBondContact O-CG 3.36Å; L281-L285 PolarHBondContact O-N 3.18Å; R282-L285 WeakPolarHBondContact O-CB 3.37Å; R282-L285 PolarHBondContact O-N 3.47Å; Q283-L285 VanDerWaalsContact C-N 3.27Å; Q283-L285 PolarHBondContact O-N 3.17Å; L285-S287 PolarHBondContact O-N 3.3Å; L285-F288 WeakPolarHBondContact O-CB 3.42Å; L285-F288 PolarHBondContact O-N 3.4Å; L285-W296 PolarHBondContact O-NE1 2.92Å; L285-I299 HydrophobicContact CD1-CG2 4.12Å; L285-I299 HydrophobicContact CD2-CG2 4.26Å; L285-I303 HydrophobicContact CD1-CD1 3.45Å; L285-I303 VanDerWaalsContact CD1-CD1 3.45Å; L285-L318 HydrophobicContact CD1-CD1 4.04Å; L285-L318 HydrophobicContact CD1-CD2 4.03Å; L285-L318 HydrophobicContact CD1-CG 4.24Å; L285-L318 HydrophobicContact CD2-CD2 3.61Å; L285-L318 HydrophobicContact CG-CD1 4.34Å; L285-L318 HydrophobicContact CG-CD2 4.19Å
286T92.6Very high93.2Very high92 Ų9243.7 Ų43.756%0.56423%0.233SC*.Hα-helixtrans-67.4-23178.652.60000113.2R282 Q283 F288R282-T286 PolarHBondContact O-N 3.19Å; R282-T286 VanDerWaalsContact O-N 3.08Å; R282-T286 PolarHBondContact O-OG1 2.91Å; Q283-T286 WeakPolarHBondContact CA-OG1 3.42Å; Q283-T286 PolarHBondContact O-N 3Å; Q283-T286 VanDerWaalsContact O-N 3.11Å; Q283-T286 PolarHBondContact O-OG1 3.05Å; T286-F288 VanDerWaalsContact C-N 3.34Å
287S95.8Very high93.5Very high57 Ų5747.7 Ų47.740%0.39924%0.242SC..THydrogen-bonded Turntrans-88.24.2176.3700000114.1H227 Q283 S284 L285H227-S287 PolarHBondContact CE1-O 2.76Å; H227-S287 PolarHBondContact CE1-OG 3.01Å; H227-S287 PolarHBondContact NE2-OG 3.4Å; H227-S287 VanDerWaalsContact NE2-OG 3.12Å; Q283-S287 PolarHBondContact O-N 3.44Å; Q283-S287 VanDerWaalsContact O-N 3.09Å; S284-S287 PolarHBondContact O-N 3.44Å; S284-S287 PolarHBondContact O-OG 3.49Å; L285-S287 PolarHBondContact O-N 3.3Å
288F96.2Very high93.6Very high1 Ų152 Ų520%0.00426%0.261CS..  trans-64.2122.2178.7-176.5-120000110.5F213 L224 H227 S284 L285 T286 H290 H291 W296F213-F288 HydrophobicContact CD2-CZ 4.21Å; F213-F288 HydrophobicContact CE2-CE1 4.48Å; F213-F288 HydrophobicContact CE2-CZ 4.49Å; L224-F288 HydrophobicContact CB-CE2 4.42Å; L224-F288 HydrophobicContact CD1-CD1 4.38Å; L224-F288 HydrophobicContact CD1-CD2 3.83Å; L224-F288 HydrophobicContact CD1-CE2 4.06Å; L224-F288 HydrophobicContact CD1-CG 4.01Å; L224-F288 HydrophobicContact CD1-CZ 4.41Å; H227-F288 HydrophobicContact CB-CD2 3.64Å; H227-F288 HydrophobicContact CB-CE2 3.95Å; H227-F288 AromaticContact CD2-CD2 3.76Å; H227-F288 AromaticContact CG-CD2 3.6Å; H227-F288 WeakPolarHBondContact NE2-CA 3.16Å; H227-F288 PolarHBondContact NE2-N 2.95Å; S284-F288 PolarHBondContact O-N 3.06Å; L285-F288 WeakPolarHBondContact O-CB 3.42Å; L285-F288 PolarHBondContact O-N 3.4Å; T286-F288 VanDerWaalsContact C-N 3.34Å; F288-H290 HydrophobicContact CD1-CB 4.22Å; F288-H290 HydrophobicContact CE1-CB 3.64Å; F288-H290 HydrophobicContact CZ-CB 3.97Å; F288-H290 AromaticContact CZ-CD2 3.73Å; F288-H290 PolarHBondContact O-N 2.82Å; F288-H290 VanDerWaalsContact O-N 3.13Å; F288-H291 PolarHBondContact O-CE1 3.45Å; F288-H291 PolarHBondContact O-ND1 3.4Å; F288-H291 VanDerWaalsContact O-ND1 3.13Å; F288-W296 HydrophobicContact CD1-CB 3.99Å; F288-W296 AromaticContact CD1-CD1 3.49Å; F288-W296 VanDerWaalsContact CD1-CD1 3.49Å; F288-W296 HydrophobicContact CD1-CD2 4.27Å; F288-W296 AromaticContact CD1-CG 3.65Å; F288-W296 HydrophobicContact CD1-CG 3.65Å; F288-W296 HydrophobicContact CE1-CB 4.11Å; F288-W296 HydrophobicContact CE1-CG 4.27Å; F288-W296 AromaticContact CG-CD1 3.95Å
289P94.5Very high93.7Very high66 Ų6652 Ų5243%0.42926%0.261SS..SBendtrans-70.2-13.8-168.426.2-35.3000114.5
290H93.5Very high93.7Very high19 Ų1950.2 Ų50.29%0.08826%0.256CS..  trans-107.667.1-172.8-51.6-56.1000113.1N210 F213 F288 Q292 S293N210-H290 PolarHBondContact OD1-CE1 3.4Å; N210-H290 PolarHBondContact OD1-NE2 3.46Å; F213-H290 WeakPolarHBondContact CB-CD2 3.44Å; F213-H290 WeakPolarHBondContact CB-NE2 3.28Å; F213-H290 HydrophobicContact CD1-CB 3.52Å; F213-H290 AromaticContact CD1-CD2 3.66Å; F213-H290 AromaticContact CD1-CG 3.31Å; F213-H290 AromaticContact CD1-ND1 3.63Å; F213-H290 HydrophobicContact CD2-CB 3.93Å; F213-H290 AromaticContact CD2-CD2 3.77Å; F213-H290 AromaticContact CD2-CG 3.99Å; F213-H290 HydrophobicContact CE1-CB 3.5Å; F213-H290 VanDerWaalsContact CE1-CB 3.5Å; F213-H290 AromaticContact CE1-CG 3.85Å; F213-H290 HydrophobicContact CE2-CB 3.89Å; F213-H290 HydrophobicContact CG-CB 3.78Å; F213-H290 AromaticContact CG-CD2 3.26Å; F213-H290 WeakPolarHBondContact CG-CD2 3.44Å; F213-H290 AromaticContact CG-CG 3.43Å; F213-H290 VanDerWaalsContact CG-CG 3.43Å; F213-H290 AromaticContact CG-NE2 3.81Å; F213-H290 HydrophobicContact CZ-CB 3.68Å; F288-H290 HydrophobicContact CD1-CB 4.22Å; F288-H290 HydrophobicContact CE1-CB 3.64Å; F288-H290 HydrophobicContact CZ-CB 3.97Å; F288-H290 AromaticContact CZ-CD2 3.73Å; F288-H290 PolarHBondContact O-N 2.82Å; F288-H290 VanDerWaalsContact O-N 3.13Å; H290-Q292 VanDerWaalsContact CA-OE1 3.29Å; H290-Q292 PolarHBondContact O-N 2.59Å; H290-S293 VanDerWaalsContact O-CB 3.24Å; H290-S293 WeakPolarHBondContact O-CB 3.5Å; H290-S293 PolarHBondContact O-N 3.36Å
291H90.8Very high93.6Very high97 Ų9756 Ų5645%0.44928%0.283SS..THydrogen-bonded Turntrans-62.9-13-180-56.4-42.2000114.6F288 S293 W296 R297F288-H291 PolarHBondContact O-CE1 3.45Å; F288-H291 PolarHBondContact O-ND1 3.4Å; F288-H291 VanDerWaalsContact O-ND1 3.13Å; H291-S293 PolarHBondContact O-N 2.9Å; H291-W296 HydrophobicContact CB-CE3 4.33Å; H291-W296 HydrophobicContact CB-CH2 4.06Å; H291-W296 HydrophobicContact CB-CZ3 3.69Å; H291-W296 AromaticContact CE1-CH2 3.96Å; H291-W296 AromaticContact CE1-CZ2 3.93Å; H291-W296 AromaticContact CG-CH2 3.82Å; H291-W296 AromaticContact CG-CZ3 3.97Å; H291-W296 AromaticContact ND1-CH2 3.12Å; H291-W296 WeakPolarHBondContact ND1-CH2 3.46Å; H291-W296 AromaticContact ND1-CZ2 3.34Å; H291-W296 VanDerWaalsContact ND1-CZ2 3.34Å; H291-W296 WeakPolarHBondContact ND1-CZ2 3.48Å; H291-W296 AromaticContact ND1-CZ3 3.59Å; H291-R297 PolarHBondContact O-NE 3.37Å
292Q90.8Very high93.4Very high111 Ų11159.6 Ų59.652%0.51930%0.3SS..THydrogen-bonded Turntrans-73.3-11.9171.271.5-83.923.100113.8F213 H290 T294 R297F213-Q292 HydrophobicContact CE1-CG 3.79Å; F213-Q292 HydrophobicContact CZ-CG 4.2Å; H290-Q292 VanDerWaalsContact CA-OE1 3.29Å; H290-Q292 PolarHBondContact O-N 2.59Å; Q292-T294 PolarHBondContact O-N 2.98Å; Q292-R297 VanDerWaalsContact CA-NH2 3.34Å; Q292-R297 PolarHBondContact O-NH2 3.26Å
293S91.7Very high93.2Very high2 Ų257.7 Ų57.71%0.01429%0.293CS..  trans-61.6121.2173.5169.40000110.9E220 H290 H291 L295 W296 R297E220-S293 WeakPolarHBondContact OE2-CB 3.17Å; E220-S293 PolarHBondContact OE2-OG 2.94Å; H290-S293 VanDerWaalsContact O-CB 3.24Å; H290-S293 WeakPolarHBondContact O-CB 3.5Å; H290-S293 PolarHBondContact O-N 3.36Å; H291-S293 PolarHBondContact O-N 2.9Å; S293-L295 VanDerWaalsContact C-N 3.3Å; S293-L295 PolarHBondContact OG-N 3.42Å; S293-W296 WeakPolarHBondContact OG-CB 3.49Å; S293-W296 PolarHBondContact OG-N 3.28Å; S293-R297 WeakPolarHBondContact O-CG 3.3Å; S293-R297 PolarHBondContact O-N 3.06Å; S293-R297 VanDerWaalsContact O-N 3.17Å
294T90.8Very high92.9Very high93 Ų9356 Ų5657%0.57130%0.296SS*.Hα-helixtrans-67.7-36.817352.70000110.6Q292 R297 H298Q292-T294 PolarHBondContact O-N 2.98Å; T294-R297 PolarHBondContact O-N 2.97Å; T294-H298 PolarHBondContact O-N 3.32Å
295L90.8Very high92.6Very high45 Ų4560.2 Ų60.224%0.23632%0.323CS..Hα-helixtrans-60.9-52.7176.5-17464.6000111.4E220 P221 S293 R297 H298 I299 T321E220-L295 HydrophobicContact CB-CB 4.4Å; E220-L295 HydrophobicContact CB-CD2 3.89Å; E220-L295 WeakPolarHBondContact OE2-CB 3.33Å; E220-L295 PolarHBondContact OE2-N 3.44Å; P221-L295 HydrophobicContact CB-CD2 4.45Å; P221-L295 HydrophobicContact CG-CD2 3.77Å; S293-L295 VanDerWaalsContact C-N 3.3Å; S293-L295 PolarHBondContact OG-N 3.42Å; L295-R297 PolarHBondContact O-N 3.01Å; L295-H298 WeakPolarHBondContact O-CB 3.42Å; L295-H298 PolarHBondContact O-N 2.89Å; L295-H298 VanDerWaalsContact O-N 3.17Å; L295-I299 HydrophobicContact CG-CD1 4.2Å; L295-I299 WeakPolarHBondContact O-CG1 3.44Å; L295-I299 PolarHBondContact O-N 3.32Å; L295-T321 HydrophobicContact CD1-CG2 3.53Å; L295-T321 HydrophobicContact CD2-CG2 3.83Å; L295-T321 HydrophobicContact CG-CG2 3.79Å
296W93.8Very high92.2Very high30 Ų3062 Ų6211%0.11433%0.332CS..Hα-helixtrans-58.7-45.2178.217183.8000111.7L285 F288 H291 S293 H298 I299 V300L285-W296 PolarHBondContact O-NE1 2.92Å; F288-W296 HydrophobicContact CD1-CB 3.99Å; F288-W296 AromaticContact CD1-CD1 3.49Å; F288-W296 VanDerWaalsContact CD1-CD1 3.49Å; F288-W296 HydrophobicContact CD1-CD2 4.27Å; F288-W296 AromaticContact CD1-CG 3.65Å; F288-W296 HydrophobicContact CD1-CG 3.65Å; F288-W296 HydrophobicContact CE1-CB 4.11Å; F288-W296 HydrophobicContact CE1-CG 4.27Å; F288-W296 AromaticContact CG-CD1 3.95Å; H291-W296 HydrophobicContact CB-CE3 4.33Å; H291-W296 HydrophobicContact CB-CH2 4.06Å; H291-W296 HydrophobicContact CB-CZ3 3.69Å; H291-W296 AromaticContact CE1-CH2 3.96Å; H291-W296 AromaticContact CE1-CZ2 3.93Å; H291-W296 AromaticContact CG-CH2 3.82Å; H291-W296 AromaticContact CG-CZ3 3.97Å; H291-W296 AromaticContact ND1-CH2 3.12Å; H291-W296 WeakPolarHBondContact ND1-CH2 3.46Å; H291-W296 AromaticContact ND1-CZ2 3.34Å; H291-W296 VanDerWaalsContact ND1-CZ2 3.34Å; H291-W296 WeakPolarHBondContact ND1-CZ2 3.48Å; H291-W296 AromaticContact ND1-CZ3 3.59Å; S293-W296 WeakPolarHBondContact OG-CB 3.49Å; S293-W296 PolarHBondContact OG-N 3.28Å; W296-H298 VanDerWaalsContact C-N 3.28Å; W296-H298 PolarHBondContact O-N 2.98Å; W296-I299 WeakPolarHBondContact O-CB 3.45Å; W296-I299 PolarHBondContact O-N 3.44Å; W296-I299 VanDerWaalsContact O-N 3.12Å; W296-V300 HydrophobicContact CD2-CG2 4.06Å; W296-V300 HydrophobicContact CG-CG2 4.44Å; W296-V300 HydrophobicContact CH2-CG2 4.44Å; W296-V300 HydrophobicContact CZ2-CG2 3.78Å; W296-V300 WeakPolarHBondContact O-CG2 3.46Å; W296-V300 PolarHBondContact O-N 3.3Å
297R93.6Very high91.8Very high107 Ų10764.7 Ų64.740%0.40434%0.338SS..Hα-helixtrans-58.1-42.4176.5-74.9-172.8-122.3115.4-9.1111.8H291 Q292 S293 T294 L295 V300 Q301H291-R297 PolarHBondContact O-NE 3.37Å; Q292-R297 VanDerWaalsContact CA-NH2 3.34Å; Q292-R297 PolarHBondContact O-NH2 3.26Å; S293-R297 WeakPolarHBondContact O-CG 3.3Å; S293-R297 PolarHBondContact O-N 3.06Å; S293-R297 VanDerWaalsContact O-N 3.17Å; T294-R297 PolarHBondContact O-N 2.97Å; L295-R297 PolarHBondContact O-N 3.01Å; R297-V300 PolarHBondContact O-N 3.28Å; R297-Q301 WeakPolarHBondContact O-CB 3.27Å; R297-Q301 VanDerWaalsContact O-CG 3.28Å; R297-Q301 WeakPolarHBondContact O-CG 3.49Å; R297-Q301 PolarHBondContact O-N 3.47Å
298H93.3Very high91.1Very high95 Ų9565.4 Ų65.444%0.4434%0.337SS..Hα-helixtrans-63.5-43.4176-174.368.1000112T294 L295 W296 Q301 Q302T294-H298 PolarHBondContact O-N 3.32Å; L295-H298 WeakPolarHBondContact O-CB 3.42Å; L295-H298 PolarHBondContact O-N 2.89Å; L295-H298 VanDerWaalsContact O-N 3.17Å; W296-H298 VanDerWaalsContact C-N 3.28Å; W296-H298 PolarHBondContact O-N 2.98Å; H298-Q301 PolarHBondContact O-N 3.12Å; H298-Q302 PolarHBondContact NE2-NE2 3.43Å; H298-Q302 WeakPolarHBondContact O-CG 3.37Å; H298-Q302 PolarHBondContact O-N 3.46Å
299I93.5Very high89.9Confident0 Ų065.9 Ų65.90%034%0.342CS..Hα-helixtrans-59.7-48.3175.6-66.3168000110.8L224 L285 L295 W296 Q301 Q302 I303 V317 L318 T321L224-I299 HydrophobicContact CD2-CD1 3.39Å; L285-I299 HydrophobicContact CD1-CG2 4.12Å; L285-I299 HydrophobicContact CD2-CG2 4.26Å; L295-I299 HydrophobicContact CG-CD1 4.2Å; L295-I299 WeakPolarHBondContact O-CG1 3.44Å; L295-I299 PolarHBondContact O-N 3.32Å; W296-I299 WeakPolarHBondContact O-CB 3.45Å; W296-I299 PolarHBondContact O-N 3.44Å; W296-I299 VanDerWaalsContact O-N 3.12Å; I299-Q301 VanDerWaalsContact C-N 3.31Å; I299-Q301 PolarHBondContact O-N 3.43Å; I299-Q302 PolarHBondContact O-N 2.87Å; I299-Q302 VanDerWaalsContact O-N 3.14Å; I299-I303 HydrophobicContact CG2-CD1 3.56Å; I299-I303 HydrophobicContact CG2-CG1 4.37Å; I299-I303 WeakPolarHBondContact O-CG1 3.34Å; I299-I303 PolarHBondContact O-N 3.26Å; I299-V317 HydrophobicContact CG2-CG1 4.26Å; I299-L318 HydrophobicContact CD1-CD2 4.43Å; I299-L318 HydrophobicContact CG2-CD2 4.02Å; I299-T321 HydrophobicContact CD1-CG2 3.52Å; I299-T321 HydrophobicContact CG1-CG2 3.94Å
300V93.6Very high89Confident46 Ų4668.3 Ų68.328%0.27935%0.347SS..Hα-helixtrans-60-43.1178.9170.70000110.7W296 R297 Q302 I303 S304W296-V300 HydrophobicContact CD2-CG2 4.06Å; W296-V300 HydrophobicContact CG-CG2 4.44Å; W296-V300 HydrophobicContact CH2-CG2 4.44Å; W296-V300 HydrophobicContact CZ2-CG2 3.78Å; W296-V300 WeakPolarHBondContact O-CG2 3.46Å; W296-V300 PolarHBondContact O-N 3.3Å; R297-V300 PolarHBondContact O-N 3.28Å; V300-Q302 VanDerWaalsContact C-N 3.34Å; V300-Q302 PolarHBondContact O-N 3.04Å; V300-I303 PolarHBondContact O-N 2.97Å; V300-S304 WeakPolarHBondContact O-CB 3.21Å; V300-S304 PolarHBondContact O-N 3.45Å
301Q93.1Very high88.3Confident135 Ų13572.1 Ų72.163%0.63137%0.366SS*.Hα-helixtrans-63.4-37175.7-74.7173.6-11.600112.9R297 H298 I299 P305R297-Q301 WeakPolarHBondContact O-CB 3.27Å; R297-Q301 VanDerWaalsContact O-CG 3.28Å; R297-Q301 WeakPolarHBondContact O-CG 3.49Å; R297-Q301 PolarHBondContact O-N 3.47Å; H298-Q301 PolarHBondContact O-N 3.12Å; I299-Q301 VanDerWaalsContact C-N 3.31Å; I299-Q301 PolarHBondContact O-N 3.43Å; Q301-P305 WeakPolarHBondContact O-CD 3.43Å
302Q90.7Very high88.1Confident77 Ų7769.9 Ų69.936%0.3636%0.36SS..Hα-helixtrans-69.2-37.9175.6-75.4-170.3-11.100112.5H298 I299 V300 L306 V317H298-Q302 PolarHBondContact NE2-NE2 3.43Å; H298-Q302 WeakPolarHBondContact O-CG 3.37Å; H298-Q302 PolarHBondContact O-N 3.46Å; I299-Q302 PolarHBondContact O-N 2.87Å; I299-Q302 VanDerWaalsContact O-N 3.14Å; V300-Q302 VanDerWaalsContact C-N 3.34Å; V300-Q302 PolarHBondContact O-N 3.04Å; Q302-L306 VanDerWaalsContact O-CD1 3.29Å; Q302-L306 WeakPolarHBondContact O-CD1 3.24Å; Q302-L306 VanDerWaalsContact O-CG 3.24Å; Q302-L306 WeakPolarHBondContact O-CG 3.43Å; Q302-V317 HydrophobicContact CB-CG1 4.36Å
303I91.2Very high87.9Confident6 Ų665.1 Ų65.13%0.03134%0.339CS..Hα-helixtrans-83.7-36-174.5-68.3172.9000112.4R282 L285 I299 V300 L306 A314 V317R282-I303 HydrophobicContact CG-CG2 3.88Å; R282-I303 PolarHBondContact NH1-O 3.41Å; R282-I303 PolarHBondContact NH2-O 2.91Å; L285-I303 HydrophobicContact CD1-CD1 3.45Å; L285-I303 VanDerWaalsContact CD1-CD1 3.45Å; I299-I303 HydrophobicContact CG2-CD1 3.56Å; I299-I303 HydrophobicContact CG2-CG1 4.37Å; I299-I303 WeakPolarHBondContact O-CG1 3.34Å; I299-I303 PolarHBondContact O-N 3.26Å; V300-I303 PolarHBondContact O-N 2.97Å; I303-L306 WeakPolarHBondContact O-CB 3.36Å; I303-L306 PolarHBondContact O-N 3.28Å; I303-A314 HydrophobicContact CD1-CB 3.98Å; I303-A314 HydrophobicContact CG2-CB 4.12Å; I303-V317 HydrophobicContact CD1-CB 4.14Å; I303-V317 HydrophobicContact CD1-CG1 4.12Å; I303-V317 HydrophobicContact CG1-CB 4.04Å; I303-V317 HydrophobicContact CG1-CG1 4.01Å; I303-V317 HydrophobicContact CG1-CG2 4.18Å
304S89.9Confident87.9Confident90 Ų9065 Ų6563%0.62934%0.338SS*.THydrogen-bonded Turntrans-49.7-48.7-177.3-176.10000114.6V300 L306V300-S304 WeakPolarHBondContact O-CB 3.21Å; V300-S304 PolarHBondContact O-N 3.45Å; S304-L306 VanDerWaalsContact C-N 3.27Å; S304-L306 PolarHBondContact O-N 3.08Å
305P89.1Confident87.9Confident92 Ų9261.8 Ų61.860%0.59732%0.317SS*.THydrogen-bonded Turntrans-76.8-6.8-178.931.8-37.1000114.4Q301Q301-P305 WeakPolarHBondContact O-CD 3.43Å
306L85.9Confident87.7Confident40 Ų4060.6 Ų60.621%0.20931%0.312CS..SBendtrans-82.8131.5-173.5-55.1174.7000111.5R282 Q302 I303 S304 P312 V317R282-L306 PolarHBondContact NH1-O 3.34Å; R282-L306 PolarHBondContact NH2-O 3.46Å; Q302-L306 VanDerWaalsContact O-CD1 3.29Å; Q302-L306 WeakPolarHBondContact O-CD1 3.24Å; Q302-L306 VanDerWaalsContact O-CG 3.24Å; Q302-L306 WeakPolarHBondContact O-CG 3.43Å; I303-L306 WeakPolarHBondContact O-CB 3.36Å; I303-L306 PolarHBondContact O-N 3.28Å; S304-L306 VanDerWaalsContact C-N 3.27Å; S304-L306 PolarHBondContact O-N 3.08Å; L306-P312 HydrophobicContact CD1-CB 4.36Å; L306-P312 HydrophobicContact CD1-CG 3.81Å; L306-P312 WeakPolarHBondContact CD1-O 3.35Å; L306-P312 HydrophobicContact CD2-CG 3.91Å; L306-V317 HydrophobicContact CD1-CG2 4.39Å
307H84.5Confident87.5Confident149 Ų14959.5 Ų59.569%0.6931%0.309SS*.PPolyproline II helixtrans-65.2134.1173.9-66.588.1000111.2G309 H310H307-G309 PolarHBondContact O-N 3.02Å; H307-H310 HydrophobicContact CB-CB 4.44Å; H307-H310 PolarHBondContact O-N 3.07Å
308L81.8Confident87.4Confident73 Ų7354.4 Ų54.438%0.38229%0.29SS..THydrogen-bonded Turntrans-57.7140.4176.3-61.5174.4000110.8L275 E278 Q279 H310L275-L308 HydrophobicContact CD1-CB 3.71Å; L275-L308 HydrophobicContact CD1-CD1 3.69Å; L275-L308 HydrophobicContact CD1-CG 4.23Å; E278-L308 HydrophobicContact CB-CD2 4.38Å; E278-L308 HydrophobicContact CG-CD2 3.41Å; E278-L308 VanDerWaalsContact CG-CD2 3.41Å; Q279-L308 HydrophobicContact CG-CD1 4.43Å; L308-H310 PolarHBondContact O-N 3.37Å; L308-H310 PolarHBondContact O-ND1 2.76Å
309G72Confident87.2Confident10 Ų1050.4 Ų50.410%0.10327%0.272CS..THydrogen-bonded Turntrans74.73.6178.400000115.5G272 H307G272-G309 WeakPolarHBondContact CA-O 3.44Å; H307-G309 PolarHBondContact O-N 3.02Å
310H75.6Confident86.8Confident117 Ų11754.9 Ų54.954%0.54229%0.292SS..SBendtrans-110.8163.1175.4-66.289.1000111.6H307 L308 P312 T313H307-H310 HydrophobicContact CB-CB 4.44Å; H307-H310 PolarHBondContact O-N 3.07Å; L308-H310 PolarHBondContact O-N 3.37Å; L308-H310 PolarHBondContact O-ND1 2.76Å; H310-P312 CarbonylContact O-C 3.49Å; H310-P312 VanDerWaalsContact O-O 3.1Å; H310-T313 WeakPolarHBondContact O-CG2 3.29Å
311M78.6Confident86.6Confident99 Ų9954.1 Ų54.149%0.48829%0.287SS..SBendtrans-86.8145.9171.8-67.6-167.373.800111.6Y271 T313 Y328Y271-M311 WeakPolarHBondContact O-CG 3.49Å; Y271-M311 VanDerWaalsContact O-SD 3.33Å; M311-T313 HydrophobicContact CG-CG2 4.43Å; M311-Y328 HydrophobicContact CE-CD1 3.26Å; M311-Y328 HydrophobicContact CE-CE1 3.26Å
312P85.1Confident86.4Confident51 Ų5148 Ų4833%0.33126%0.259SS..SBendcis-67.4144.5-8.423.4-26.8000112L306 H310 V317 Y328L306-P312 HydrophobicContact CD1-CB 4.36Å; L306-P312 HydrophobicContact CD1-CG 3.81Å; L306-P312 WeakPolarHBondContact CD1-O 3.35Å; L306-P312 HydrophobicContact CD2-CG 3.91Å; H310-P312 CarbonylContact O-C 3.49Å; H310-P312 VanDerWaalsContact O-O 3.1Å; P312-V317 HydrophobicContact CB-CG2 4.22Å; P312-Y328 HydrophobicContact CB-CE1 4.23Å; P312-Y328 VanDerWaalsContact CB-OH 3.23Å; P312-Y328 WeakPolarHBondContact CB-OH 3.41Å
313T87.7Confident86.2Confident11 Ų1144.4 Ų44.47%0.06724%0.242CC..PPolyproline II helixtrans-90.9158.7176.968.30000110.1L273 H310 M311 L315 S316 V317L273-T313 HydrophobicContact CB-CG2 3.75Å; H310-T313 WeakPolarHBondContact O-CG2 3.29Å; M311-T313 HydrophobicContact CG-CG2 4.43Å; T313-L315 PolarHBondContact O-N 3.39Å; T313-S316 WeakPolarHBondContact CA-OG 3.37Å; T313-S316 PolarHBondContact N-OG 3.16Å; T313-S316 PolarHBondContact O-N 3.28Å; T313-S316 VanDerWaalsContact O-N 3.07Å; T313-S316 PolarHBondContact O-OG 3.32Å; T313-S316 WeakPolarHBondContact OG1-CB 3.15Å; T313-S316 PolarHBondContact OG1-N 3.2Å; T313-S316 VanDerWaalsContact OG1-N 3.13Å; T313-S316 PolarHBondContact OG1-OG 2.95Å; T313-V317 PolarHBondContact O-N 3.25Å
314A91Very high85.6Confident0 Ų046.6 Ų46.60%027%0.266CS..Hα-helixtrans-54.7-43.3173.900000111.4E278 L281 R282 I303 S316 V317 L318E278-A314 VanDerWaalsContact OE1-CB 3.28Å; E278-A314 WeakPolarHBondContact OE1-CB 3.45Å; E278-A314 PolarHBondContact OE1-N 3Å; E278-A314 PolarHBondContact OE2-N 3.45Å; L281-A314 HydrophobicContact CB-CB 4.18Å; R282-A314 HydrophobicContact CG-CB 4.2Å; I303-A314 HydrophobicContact CD1-CB 3.98Å; I303-A314 HydrophobicContact CG2-CB 4.12Å; A314-S316 VanDerWaalsContact C-N 3.31Å; A314-S316 PolarHBondContact O-N 3.45Å; A314-V317 PolarHBondContact O-N 2.88Å; A314-L318 WeakPolarHBondContact O-CB 3.24Å; A314-L318 WeakPolarHBondContact O-CG 3.47Å; A314-L318 PolarHBondContact O-N 3.44Å
315L90.6Very high84.5Confident25 Ų2543.2 Ų43.213%0.13124%0.242CC..Hα-helixtrans-58.3-43.4177.3-179.760000112.1I167 L273 L281 T313 L318 T319I167-L315 HydrophobicContact CD1-CD1 4.48Å; I167-L315 HydrophobicContact CG1-CD1 3.83Å; L273-L315 HydrophobicContact CD1-CB 4.33Å; L273-L315 HydrophobicContact CD1-CD2 3.81Å; L273-L315 HydrophobicContact CD2-CB 3.75Å; L281-L315 HydrophobicContact CD1-CB 3.62Å; L281-L315 HydrophobicContact CD1-CD1 4.14Å; L281-L315 HydrophobicContact CD1-CG 4.42Å; T313-L315 PolarHBondContact O-N 3.39Å; L315-L318 PolarHBondContact O-N 2.99Å; L315-T319 VanDerWaalsContact O-CB 3.31Å; L315-T319 WeakPolarHBondContact O-CB 3.49Å; L315-T319 PolarHBondContact O-N 3.01Å; L315-T319 PolarHBondContact O-OG1 3.37Å
316S86.4Confident82.8Confident19 Ų1943.5 Ų43.513%0.13324%0.238CC..Hα-helixtrans-74.3-30.4-176.258.70000113.1T313 A314 K320 Y328T313-S316 WeakPolarHBondContact CA-OG 3.37Å; T313-S316 PolarHBondContact N-OG 3.16Å; T313-S316 PolarHBondContact O-N 3.28Å; T313-S316 VanDerWaalsContact O-N 3.07Å; T313-S316 PolarHBondContact O-OG 3.32Å; T313-S316 WeakPolarHBondContact OG1-CB 3.15Å; T313-S316 PolarHBondContact OG1-N 3.2Å; T313-S316 VanDerWaalsContact OG1-N 3.13Å; T313-S316 PolarHBondContact OG1-OG 2.95Å; A314-S316 VanDerWaalsContact C-N 3.31Å; A314-S316 PolarHBondContact O-N 3.45Å; S316-K320 WeakPolarHBondContact O-CB 3.17Å; S316-K320 PolarHBondContact O-N 2.95Å; S316-Y328 WeakPolarHBondContact CB-OH 3.41Å; S316-Y328 PolarHBondContact OG-OH 2.99Å
317V90Very high81.3Confident7 Ų742.9 Ų42.94%0.04223%0.234CC..Hα-helixtrans-67.5-47.4168.41750000110.2I299 Q302 I303 L306 P312 T313 A314 T319 K320 T321I299-V317 HydrophobicContact CG2-CG1 4.26Å; Q302-V317 HydrophobicContact CB-CG1 4.36Å; I303-V317 HydrophobicContact CD1-CB 4.14Å; I303-V317 HydrophobicContact CD1-CG1 4.12Å; I303-V317 HydrophobicContact CG1-CB 4.04Å; I303-V317 HydrophobicContact CG1-CG1 4.01Å; I303-V317 HydrophobicContact CG1-CG2 4.18Å; L306-V317 HydrophobicContact CD1-CG2 4.39Å; P312-V317 HydrophobicContact CB-CG2 4.22Å; T313-V317 PolarHBondContact O-N 3.25Å; A314-V317 PolarHBondContact O-N 2.88Å; V317-T319 PolarHBondContact O-N 2.91Å; V317-K320 PolarHBondContact O-N 2.94Å; V317-T321 PolarHBondContact O-N 3.38Å; V317-T321 PolarHBondContact O-OG1 2.93Å; V317-T321 VanDerWaalsContact O-OG1 3.06Å
318L91.6Very high79.6Confident0 Ų039.4 Ų39.40%022%0.215CC..Hα-helixtrans-61-46.4179.4-74.4170.1000112.6I167 L224 L228 L281 L285 I299 A314 L315 K320 T321 I322I167-L318 HydrophobicContact CD1-CB 3.79Å; L224-L318 HydrophobicContact CD2-CD2 3.93Å; L228-L318 HydrophobicContact CD1-CD1 4.02Å; L228-L318 HydrophobicContact CD1-CD2 4.17Å; L228-L318 HydrophobicContact CD2-CD1 4.41Å; L281-L318 HydrophobicContact CB-CD1 4.38Å; L281-L318 HydrophobicContact CD2-CD1 4.16Å; L285-L318 HydrophobicContact CD1-CD1 4.04Å; L285-L318 HydrophobicContact CD1-CD2 4.03Å; L285-L318 HydrophobicContact CD1-CG 4.24Å; L285-L318 HydrophobicContact CD2-CD2 3.61Å; L285-L318 HydrophobicContact CG-CD1 4.34Å; L285-L318 HydrophobicContact CG-CD2 4.19Å; I299-L318 HydrophobicContact CD1-CD2 4.43Å; I299-L318 HydrophobicContact CG2-CD2 4.02Å; A314-L318 WeakPolarHBondContact O-CB 3.24Å; A314-L318 WeakPolarHBondContact O-CG 3.47Å; A314-L318 PolarHBondContact O-N 3.44Å; L315-L318 PolarHBondContact O-N 2.99Å; L318-K320 VanDerWaalsContact C-N 3.31Å; L318-K320 PolarHBondContact O-N 2.92Å; L318-T321 PolarHBondContact O-N 2.91Å; L318-I322 WeakPolarHBondContact O-CB 3.38Å; L318-I322 WeakPolarHBondContact O-CG1 3.24Å; L318-I322 PolarHBondContact O-N 3.47Å
319T88.8Confident77.6Confident12 Ų1242.2 Ų42.27%0.07423%0.23CC..Hα-helixtrans-61.9-43.1179.9-560000110.2L315 V317 T321 N323 M327 L345L315-T319 VanDerWaalsContact O-CB 3.31Å; L315-T319 WeakPolarHBondContact O-CB 3.49Å; L315-T319 PolarHBondContact O-N 3.01Å; L315-T319 PolarHBondContact O-OG1 3.37Å; V317-T319 PolarHBondContact O-N 2.91Å; T319-T321 VanDerWaalsContact C-N 3.35Å; T319-T321 PolarHBondContact O-N 3Å; T319-N323 WeakPolarHBondContact CG2-ND2 3.34Å; T319-N323 WeakPolarHBondContact O-CB 3.19Å; T319-N323 PolarHBondContact O-N 3.35Å; T319-M327 HydrophobicContact CG2-CE 4.17Å; T319-M327 HydrophobicContact CG2-CG 3.71Å; T319-L345 HydrophobicContact CG2-CD2 4.41Å
320K86.1Confident76.6Confident93 Ų9343 Ų4340%0.40424%0.237SC..Hα-helixtrans-60.8-44.8175.4178.8-178.9175.9178.30111.9S316 V317 L318 G324 T325 I326S316-K320 WeakPolarHBondContact O-CB 3.17Å; S316-K320 PolarHBondContact O-N 2.95Å; V317-K320 PolarHBondContact O-N 2.94Å; L318-K320 VanDerWaalsContact C-N 3.31Å; L318-K320 PolarHBondContact O-N 2.92Å; K320-G324 VanDerWaalsContact O-CA 3.25Å; K320-G324 WeakPolarHBondContact O-CA 3.38Å; K320-G324 PolarHBondContact O-N 3.1Å; K320-T325 VanDerWaalsContact CA-O 3.32Å; K320-T325 WeakPolarHBondContact CA-O 3.48Å; K320-I326 HydrophobicContact CD-CG1 4.02Å; K320-I326 HydrophobicContact CG-CG1 4.38Å
321T89Confident75.4Confident31 Ų3146.3 Ų46.319%0.1924%0.244CC..Hα-helixtrans-69.6-41.5-178-60.70000112.4L295 I299 V317 L318 T319L295-T321 HydrophobicContact CD1-CG2 3.53Å; L295-T321 HydrophobicContact CD2-CG2 3.83Å; L295-T321 HydrophobicContact CG-CG2 3.79Å; I299-T321 HydrophobicContact CD1-CG2 3.52Å; I299-T321 HydrophobicContact CG1-CG2 3.94Å; V317-T321 PolarHBondContact O-N 3.38Å; V317-T321 PolarHBondContact O-OG1 2.93Å; V317-T321 VanDerWaalsContact O-OG1 3.06Å; L318-T321 PolarHBondContact O-N 2.91Å; T319-T321 VanDerWaalsContact C-N 3.35Å; T319-T321 PolarHBondContact O-N 3Å
322I89.7Confident74.1Confident6 Ų646 Ų463%0.03125%0.249CC..Hα-helixtrans-74.6-40.6-177.7-69.5168000111.4I167 L224 K225 L228 L318I167-I322 HydrophobicContact CD1-CD1 3.58Å; L224-I322 HydrophobicContact CD2-CD1 4.43Å; L224-I322 HydrophobicContact CG-CD1 4.43Å; K225-I322 HydrophobicContact CB-CD1 4.21Å; K225-I322 HydrophobicContact CB-CG2 4.14Å; K225-I322 HydrophobicContact CD-CG2 4.09Å; K225-I322 HydrophobicContact CG-CG2 4.35Å; L228-I322 HydrophobicContact CD1-CD1 3.87Å; L318-I322 WeakPolarHBondContact O-CB 3.38Å; L318-I322 WeakPolarHBondContact O-CG1 3.24Å; L318-I322 PolarHBondContact O-N 3.47Å
323N85.3Confident72.8Confident1 Ų147 Ų471%0.00525%0.252CS..Hα-helixtrans-92.5-18.4-175.7-64.2-20.5000113.3T130 N134 L165 T319 T325 M327T130-N323 WeakPolarHBondContact CB-O 3.46Å; T130-N323 HydrophobicContact CG2-CB 3.6Å; T130-N323 PolarHBondContact OG1-O 3.06Å; N134-N323 PolarHBondContact ND2-OD1 3.49Å; L165-N323 PolarHBondContact O-ND2 2.91Å; T319-N323 WeakPolarHBondContact CG2-ND2 3.34Å; T319-N323 WeakPolarHBondContact O-CB 3.19Å; T319-N323 PolarHBondContact O-N 3.35Å; N323-T325 PolarHBondContact O-N 3.2Å; N323-M327 HydrophobicContact CB-CE 4.39Å
324G78.5Confident72.2Confident53 Ų5349.7 Ų49.755%0.54626%0.263SS..SBendtrans75.48.1-176.500000114.5K320K320-G324 VanDerWaalsContact O-CA 3.25Å; K320-G324 WeakPolarHBondContact O-CA 3.38Å; K320-G324 PolarHBondContact O-N 3.1Å
325T67.7Low71.7Confident19 Ų1952.2 Ų52.212%0.11728%0.277CS..SBendtrans-123.1145.6-176.842.50000112.1H126 T130 K320 N323 M327H126-T325 HydrophobicContact CB-CG2 3.48Å; H126-T325 VanDerWaalsContact CB-CG2 3.48Å; T130-T325 WeakPolarHBondContact OG1-CG2 3.49Å; K320-T325 VanDerWaalsContact CA-O 3.32Å; K320-T325 WeakPolarHBondContact CA-O 3.48Å; N323-T325 PolarHBondContact O-N 3.2Å; T325-M327 PolarHBondContact O-N 3.3Å
326I53.7Low71.4Confident98 Ų9851.2 Ų51.250%0.50327%0.272SS..  trans-85.5101.7174.9-62.1177.3000107.7K320 Y328K320-I326 HydrophobicContact CD-CG1 4.02Å; K320-I326 HydrophobicContact CG-CG1 4.38Å; I326-Y328 HydrophobicContact CG2-CD2 3.67Å; I326-Y328 HydrophobicContact CG2-CG 4.1Å; I326-Y328 PolarHBondContact O-N 3.22Å; I326-Y328 VanDerWaalsContact O-N 3.12Å
327M53.8Low71.2Confident27 Ų2752 Ų5213%0.13328%0.28CS..G310 helixtrans-71.87.4173.2-59.7-73.5170.300113.5T319 N323 T325 E344 L345T319-M327 HydrophobicContact CG2-CE 4.17Å; T319-M327 HydrophobicContact CG2-CG 3.71Å; N323-M327 HydrophobicContact CB-CE 4.39Å; T325-M327 PolarHBondContact O-N 3.3Å; M327-E344 VanDerWaalsContact C-OE2 3.28Å; M327-E344 VanDerWaalsContact CA-OE2 3.31Å; M327-E344 WeakPolarHBondContact CA-OE2 3.37Å; M327-E344 HydrophobicContact SD-CB 3.8Å; M327-L345 HydrophobicContact CE-CD2 3.48Å; M327-L345 VanDerWaalsContact CE-CD2 3.48Å; M327-L345 HydrophobicContact CE-CG 4.26Å; M327-L345 HydrophobicContact SD-CD2 3.8Å; M327-L345 HydrophobicContact SD-CG 4.09Å
328Y48.8Very low71Confident75 Ų7552.1 Ų52.129%0.29428%0.28SS..G310 helixtrans-87.7-5.4-166.3-71.6-101.4000114M311 P312 S316 I326M311-Y328 HydrophobicContact CE-CD1 3.26Å; M311-Y328 HydrophobicContact CE-CE1 3.26Å; P312-Y328 HydrophobicContact CB-CE1 4.23Å; P312-Y328 VanDerWaalsContact CB-OH 3.23Å; P312-Y328 WeakPolarHBondContact CB-OH 3.41Å; S316-Y328 WeakPolarHBondContact CB-OH 3.41Å; S316-Y328 PolarHBondContact OG-OH 2.99Å; I326-Y328 HydrophobicContact CG2-CD2 3.67Å; I326-Y328 HydrophobicContact CG2-CG 4.1Å; I326-Y328 PolarHBondContact O-N 3.22Å; I326-Y328 VanDerWaalsContact O-N 3.12Å
329N40Very low70.7Confident132 Ų13252.3 Ų52.371%0.70628%0.281SS*.G310 helixtrans-84.3-3.1174.8-72.9-4.3000112.6R331N329-R331 PolarHBondContact O-N 3.39Å
330A49.8Very low70.5Confident28 Ų2852.8 Ų52.823%0.23129%0.289CS..  trans-54.8106.3176.800000110E334 L335 E344A330-E334 WeakPolarHBondContact CA-OE2 3.37Å; A330-E334 HydrophobicContact CB-CB 4.22Å; A330-L335 HydrophobicContact CB-CD1 3.82Å; A330-L335 HydrophobicContact CB-CD2 4.48Å; A330-L335 HydrophobicContact CB-CG 3.81Å; A330-E344 VanDerWaalsContact CA-OE1 3.24Å; A330-E344 WeakPolarHBondContact CA-OE1 3.25Å; A330-E344 PolarHBondContact N-OE1 3.11Å
331R52.2Low70.5Confident186 Ų18648.9 Ų48.970%0.70227%0.272SS*.  trans-62.5154174.5-64.1178.1177.3-175.90.6108.2N329 L333 E334N329-R331 PolarHBondContact O-N 3.39Å; R331-L333 PolarHBondContact O-N 3.4Å; R331-E334 HydrophobicContact CB-CG 4.3Å; R331-E334 PolarHBondContact N-OE2 2.94Å; R331-E334 WeakPolarHBondContact O-CB 3.3Å; R331-E334 PolarHBondContact O-N 3.09Å
332P50.8Low70Confident91 Ų9147.6 Ų47.659%0.59127%0.265SS*.THydrogen-bonded Turntrans-46.3132.7168.5-24.932.9000109.7
333L58Low69Low73 Ų7350.7 Ų50.738%0.38229%0.286SS..THydrogen-bonded Turntrans90.8-9.1-174.8-53.8159.6000117.3R331 L351 A353 K358 I359 S361R331-L333 PolarHBondContact O-N 3.4Å; L333-L351 WeakPolarHBondContact O-CD1 3.29Å; L333-A353 HydrophobicContact CD2-CB 4.09Å; L333-K358 WeakPolarHBondContact CD2-O 3.39Å; L333-I359 VanDerWaalsContact CD2-C 3.42Å; L333-S361 WeakPolarHBondContact CA-OG 3.22Å; L333-S361 WeakPolarHBondContact CB-OG 3.47Å; L333-S361 WeakPolarHBondContact CD2-OG 3.31Å; L333-S361 PolarHBondContact O-OG 3.31Å; L333-S361 VanDerWaalsContact O-OG 3.06Å
334E74.3Confident68.1Low67 Ų6752.9 Ų52.931%0.31330%0.296SS..SBendtrans-86-19.1-177.8-68177.7178.900113.8A330 R331 P343 L351A330-E334 WeakPolarHBondContact CA-OE2 3.37Å; A330-E334 HydrophobicContact CB-CB 4.22Å; R331-E334 HydrophobicContact CB-CG 4.3Å; R331-E334 PolarHBondContact N-OE2 2.94Å; R331-E334 WeakPolarHBondContact O-CB 3.3Å; R331-E334 PolarHBondContact O-N 3.09Å; E334-P343 WeakPolarHBondContact O-CD 3.4Å; E334-L351 WeakPolarHBondContact O-CD1 3.46Å
335L80.9Confident67.5Low54 Ų5451 Ų5128%0.28327%0.273SS..SBendtrans-117.8150.3173.6-57.8177.6000111.6A330 A337 D341A330-L335 HydrophobicContact CB-CD1 3.82Å; A330-L335 HydrophobicContact CB-CD2 4.48Å; A330-L335 HydrophobicContact CB-CG 3.81Å; L335-A337 PolarHBondContact O-N 3.07Å; L335-D341 CarbonylContact C-O 3.36Å
336C84.8Confident67Low4 Ų452.5 Ų52.53%0.02729%0.292CS..BIsolated β-bridgetrans-65.9120.4172.6177.20000109.8T338 C339 G340 D341 L351 S361 C363C336-T338 PolarHBondContact O-N 3.39Å; C336-C339 PolarHBondContact SG-SG 3.15Å; C336-G340 VanDerWaalsContact O-CA 3.24Å; C336-G340 WeakPolarHBondContact O-CA 3.4Å; C336-G340 PolarHBondContact O-N 3.41Å; C336-D341 HydrophobicContact CB-CB 4.33Å; C336-D341 VanDerWaalsContact CB-O 3.28Å; C336-D341 WeakPolarHBondContact CB-O 3.49Å; C336-D341 PolarHBondContact N-O 2.98Å; C336-L351 HydrophobicContact CB-CD2 4.33Å; C336-S361 CarbonylContact C-O 3.57Å; C336-S361 WeakPolarHBondContact CA-O 3.26Å; C336-C363 HydrophobicContact CB-CB 4.16Å
337A81Confident67.1Low36 Ų3651.6 Ų51.630%0.29829%0.288SS..THydrogen-bonded Turntrans-67.91.2-17900000114.8L335 T360 S361 T374L335-A337 PolarHBondContact O-N 3.07Å; A337-T360 HydrophobicContact CB-CG2 4.21Å; A337-S361 PolarHBondContact N-O 3.48Å; A337-T374 PolarHBondContact O-OG1 3.13Å; A337-T374 VanDerWaalsContact O-OG1 3.07Å
338T85.5Confident66.9Low9 Ų956.3 Ų56.36%0.05532%0.32CS..THydrogen-bonded Turntrans-112.5-58.9179.1-56.50000111.4I170 L265 C336 C367 L370I170-T338 HydrophobicContact CG2-CG2 4.31Å; I170-T338 WeakPolarHBondContact CG2-O 3.48Å; L265-T338 HydrophobicContact CD1-CG2 4.02Å; L265-T338 HydrophobicContact CD2-CG2 4.14Å; C336-T338 PolarHBondContact O-N 3.39Å; T338-C367 HydrophobicContact CG2-CB 4.35Å; T338-C367 PolarHBondContact OG1-O 3.32Å; T338-L370 HydrophobicContact CG2-CB 3.82Å; T338-L370 HydrophobicContact CG2-CD1 4.3Å
339C87.3Confident67.6Low3 Ų355 Ų552%0.0233%0.329CS..THydrogen-bonded Turntrans-102-12.2-176.665.50000113.8N166 S168 I170 K171 L174 C336 D341N166-C339 PolarHBondContact ND2-O 3.28Å; N166-C339 PolarHBondContact OD1-O 3.25Å; S168-C339 PolarHBondContact OG-O 3.17Å; I170-C339 HydrophobicContact CG2-CB 4.19Å; K171-C339 HydrophobicContact CB-CB 4.48Å; K171-C339 HydrophobicContact CD-CB 4.36Å; L174-C339 HydrophobicContact CD1-CB 3.85Å; C336-C339 PolarHBondContact SG-SG 3.15Å; C339-D341 PolarHBondContact SG-OD2 2.9Å
340G84.6Confident69.1Low23 Ų2358.5 Ų58.524%0.23734%0.339CS..  trans84.8-2.9-176.600000116C336 L345C336-G340 VanDerWaalsContact O-CA 3.24Å; C336-G340 WeakPolarHBondContact O-CA 3.4Å; C336-G340 PolarHBondContact O-N 3.41Å; G340-L345 WeakPolarHBondContact O-CD1 2.98Å
341D85.4Confident70.7Confident10 Ų1058.9 Ų58.95%0.05334%0.337CS..  trans-60.7143177.9-70.6-28.4000112.8N166 K171 L335 C336 C339 C363N166-D341 PolarHBondContact ND2-N 3.28Å; N166-D341 PolarHBondContact ND2-OD1 2.94Å; K171-D341 WeakPolarHBondContact CE-OD1 3.3Å; K171-D341 IonicContact NZ-OD1 3.19Å; K171-D341 PolarHBondContact NZ-OD1 3.07Å; K171-D341 IonicContact NZ-OD2 2.95Å; K171-D341 PolarHBondContact NZ-OD2 3.45Å; L335-D341 CarbonylContact C-O 3.36Å; C336-D341 HydrophobicContact CB-CB 4.33Å; C336-D341 VanDerWaalsContact CB-O 3.28Å; C336-D341 WeakPolarHBondContact CB-O 3.49Å; C336-D341 PolarHBondContact N-O 2.98Å; C339-D341 PolarHBondContact SG-OD2 2.9Å; D341-C363 HydrophobicContact CB-CB 4.25Å
342G78.7Confident72.2Confident4 Ų456 Ų564%0.04133%0.329CS..SBendtrans-175.7-179.3172.300000112.2E344 L345G342-E344 PolarHBondContact O-N 3.28Å; G342-L345 PolarHBondContact O-N 3.36Å
343P69.1Low73.8Confident71 Ų7153.3 Ų53.346%0.46131%0.314SS..G310 helixtrans-63.6-28.1-175.225.3-29.9000113E334 L345 G346 I347E334-P343 WeakPolarHBondContact O-CD 3.4Å; P343-L345 PolarHBondContact O-N 2.96Å; P343-G346 PolarHBondContact O-N 3.42Å; P343-G346 VanDerWaalsContact O-N 3.08Å; P343-I347 WeakPolarHBondContact CA-O 3.23Å
344E65.4Low75Confident48 Ų4850.2 Ų50.222%0.22430%0.299CS..G310 helixtrans-64.5-23.6175.1-60.8-164.4162.700113.4M327 A330 G342 G346M327-E344 VanDerWaalsContact C-OE2 3.28Å; M327-E344 VanDerWaalsContact CA-OE2 3.31Å; M327-E344 WeakPolarHBondContact CA-OE2 3.37Å; M327-E344 HydrophobicContact SD-CB 3.8Å; A330-E344 VanDerWaalsContact CA-OE1 3.24Å; A330-E344 WeakPolarHBondContact CA-OE1 3.25Å; A330-E344 PolarHBondContact N-OE1 3.11Å; G342-E344 PolarHBondContact O-N 3.28Å; E344-G346 PolarHBondContact O-N 2.9Å
345L65.9Low75.4Confident13 Ų1354 Ų547%0.06832%0.316CS..G310 helixtrans-90.619.5175.8-67.1161.1000112.1L165 N166 T319 M327 G340 G342 P343 I347L165-L345 HydrophobicContact CB-CB 4.46Å; L165-L345 HydrophobicContact CB-CD2 3.98Å; N166-L345 HydrophobicContact CB-CD1 4.03Å; T319-L345 HydrophobicContact CG2-CD2 4.41Å; M327-L345 HydrophobicContact CE-CD2 3.48Å; M327-L345 VanDerWaalsContact CE-CD2 3.48Å; M327-L345 HydrophobicContact CE-CG 4.26Å; M327-L345 HydrophobicContact SD-CD2 3.8Å; M327-L345 HydrophobicContact SD-CG 4.09Å; G340-L345 WeakPolarHBondContact O-CD1 2.98Å; G342-L345 PolarHBondContact O-N 3.36Å; P343-L345 PolarHBondContact O-N 2.96Å; L345-I347 PolarHBondContact O-N 3.46Å
346G57.8Low75.4Confident50 Ų5057.1 Ų57.152%0.51533%0.33SS..THydrogen-bonded Turntrans74.38.1177.500000114.7P343 E344 P348P343-G346 PolarHBondContact O-N 3.42Å; P343-G346 VanDerWaalsContact O-N 3.08Å; E344-G346 PolarHBondContact O-N 2.9Å; G346-P348 VanDerWaalsContact O-CD 3.23Å; G346-P348 WeakPolarHBondContact O-CD 3.42Å
347I54.5Low75Confident79 Ų7957.9 Ų57.941%0.40533%0.334SS..  trans-99.9105.6179.4-56.3177.7000109.4P343 L345 G349P343-I347 WeakPolarHBondContact CA-O 3.23Å; L345-I347 PolarHBondContact O-N 3.46Å; I347-G349 PolarHBondContact O-N 2.98Å; I347-G349 VanDerWaalsContact O-N 3.09Å
348P50.6Low75Confident126 Ų12661.7 Ų61.782%0.81834%0.344SS*.  trans-68.5108.217326.6-31.3000109.2G346G346-P348 VanDerWaalsContact O-CD 3.23Å; G346-P348 WeakPolarHBondContact O-CD 3.42Å
349G62.8Low74.5Confident47 Ų4766.3 Ų66.349%0.48537%0.368SS..  trans-158.7129.6-18000000112.4I347 L351I347-G349 PolarHBondContact O-N 2.98Å; I347-G349 VanDerWaalsContact O-N 3.09Å; G349-L351 PolarHBondContact O-N 3.21Å
350K71.9Confident74Confident207 Ų20767.2 Ų67.290%0.937%0.373SS*.  trans-71101.6172.4-71.5-175.2-179.1179.40108.9
351L82.7Confident73.9Confident36 Ų3666.4 Ų66.419%0.18836%0.364CS..PPolyproline II helixtrans-61.9139.6169.3-58.9178.4000109.6L333 E334 C336 G349 C363L333-L351 WeakPolarHBondContact O-CD1 3.29Å; E334-L351 WeakPolarHBondContact O-CD1 3.46Å; C336-L351 HydrophobicContact CB-CD2 4.33Å; G349-L351 PolarHBondContact O-N 3.21Å; L351-C363 HydrophobicContact CD2-CB 3.6Å
352K85.3Confident73.9Confident126 Ų12666.3 Ų66.355%0.54836%0.363SS..EExtended strand (participates in β ladder)trans-91.8123.3175.4-69.2179.9-177.3179.70108.7S361 Y362K352-S361 CarbonylContact O-C 3.53Å; K352-S361 WeakPolarHBondContact O-CA 3.32Å; K352-Y362 HydrophobicContact CB-CD2 3.77Å; K352-Y362 HydrophobicContact CB-CE2 3.38Å; K352-Y362 HydrophobicContact CD-CE2 4.3Å; K352-Y362 HydrophobicContact CG-CE2 4.45Å; K352-Y362 PolarHBondContact N-O 3.17Å; K352-Y362 WeakPolarHBondContact O-CD1 3.43Å; K352-Y362 WeakPolarHBondContact O-CE1 3.21Å; K352-Y362 PolarHBondContact O-N 3.42Å
353A84Confident74.2Confident33 Ų3368.5 Ų68.527%0.27338%0.377SS..EExtended strand (participates in β ladder)trans-73.1143.3175.300000111.2L333 Q355 K358 T360 Y362L333-A353 HydrophobicContact CD2-CB 4.09Å; A353-Q355 PolarHBondContact O-N 2.93Å; A353-K358 HydrophobicContact CB-CD 4.35Å; A353-T360 CarbonylContact C-O 3.57Å; A353-T360 WeakPolarHBondContact CA-O 3.48Å; A353-Y362 PolarHBondContact O-OH 2.87Å
354C82Confident75Confident9 Ų966.9 Ų66.96%0.06137%0.367CS..PPolyproline II helixtrans-52.5123.6172.11780000110.3Q356 K358 T360 Y362C354-Q356 PolarHBondContact O-N 3.46Å; C354-Q356 VanDerWaalsContact O-N 3.09Å; C354-K358 WeakPolarHBondContact O-CA 3.38Å; C354-K358 VanDerWaalsContact O-CD 3.3Å; C354-K358 WeakPolarHBondContact O-CD 3.02Å; C354-K358 PolarHBondContact O-N 2.89Å; C354-T360 PolarHBondContact N-O 3.32Å; C354-Y362 HydrophobicContact CB-CE1 4.31Å
355Q82.4Confident75.8Confident145 Ų14568.1 Ų68.168%0.67838%0.378SS*.THydrogen-bonded Turntrans-61.5-22.8-175.5-73.1-176.7-21.300113.6A353 K358A353-Q355 PolarHBondContact O-N 2.93Å; Q355-K358 VanDerWaalsContact O-CE 3.26Å; Q355-K358 WeakPolarHBondContact O-CE 3.23Å
356Q81.4Confident76.7Confident121 Ų12169.6 Ų69.657%0.56539%0.389SS*.THydrogen-bonded Turntrans-92-59.7-175.7-61.6-59.7-18.900112.7C354 V381C354-Q356 PolarHBondContact O-N 3.46Å; C354-Q356 VanDerWaalsContact O-N 3.09Å; Q356-V381 HydrophobicContact CB-CB 4.02Å; Q356-V381 HydrophobicContact CB-CG2 3.81Å; Q356-V381 HydrophobicContact CG-CB 4.11Å; Q356-V381 HydrophobicContact CG-CG1 4.09Å; Q356-V381 HydrophobicContact CG-CG2 4.15Å
357C77Confident78Confident19 Ų1967.3 Ų67.313%0.12837%0.365CS..THydrogen-bonded Turntrans-90.4-24.2-174.972.60000113.8I359 H375C357-I359 HydrophobicContact CB-CD1 4.29Å; C357-I359 WeakPolarHBondContact O-CG1 3.44Å; C357-I359 PolarHBondContact O-N 2.62Å; C357-I359 PolarHBondContact SG-N 3.37Å; C357-I359 VanDerWaalsContact SG-N 3.38Å; C357-H375 PolarHBondContact SG-NE2 3.37Å
358K81Confident79.5Confident116 Ų11667 Ų6750%0.50436%0.362SS..SBendtrans54.317.4-173.8-53.9-72.8173.8-179.20115.3L333 A353 C354 Q355L333-K358 WeakPolarHBondContact CD2-O 3.39Å; A353-K358 HydrophobicContact CB-CD 4.35Å; C354-K358 WeakPolarHBondContact O-CA 3.38Å; C354-K358 VanDerWaalsContact O-CD 3.3Å; C354-K358 WeakPolarHBondContact O-CD 3.02Å; C354-K358 PolarHBondContact O-N 2.89Å; Q355-K358 VanDerWaalsContact O-CE 3.26Å; Q355-K358 WeakPolarHBondContact O-CE 3.23Å
359I74.6Confident81Confident107 Ų10769.8 Ų69.855%0.54936%0.356SS..SBendtrans-102.4-19.5-178.5-65.1156.6000112.1L333 C357L333-I359 VanDerWaalsContact CD2-C 3.42Å; C357-I359 HydrophobicContact CB-CD1 4.29Å; C357-I359 WeakPolarHBondContact O-CG1 3.44Å; C357-I359 PolarHBondContact O-N 2.62Å; C357-I359 PolarHBondContact SG-N 3.37Å; C357-I359 VanDerWaalsContact SG-N 3.38Å
360T77Confident81.9Confident22 Ų2267.9 Ų67.914%0.13534%0.335CS..  trans-126.6152.3-179.550.20000111.2A337 A353 C354 H371 H375A337-T360 HydrophobicContact CB-CG2 4.21Å; A353-T360 CarbonylContact C-O 3.57Å; A353-T360 WeakPolarHBondContact CA-O 3.48Å; C354-T360 PolarHBondContact N-O 3.32Å; T360-H371 PolarHBondContact OG1-CE1 2.73Å; T360-H371 VanDerWaalsContact OG1-CE1 3.26Å; T360-H375 WeakPolarHBondContact CG2-CE1 3.38Å; T360-H375 WeakPolarHBondContact CG2-ND1 3.27Å; T360-H375 PolarHBondContact OG1-CD2 3.48Å; T360-H375 PolarHBondContact OG1-NE2 2.92Å
361S83.1Confident81.9Confident5 Ų558.6 Ų58.64%0.03530%0.295CS..EExtended strand (participates in β ladder)trans-126.9163-179.5-52.40000112.5L333 C336 A337 K352L333-S361 WeakPolarHBondContact CA-OG 3.22Å; L333-S361 WeakPolarHBondContact CB-OG 3.47Å; L333-S361 WeakPolarHBondContact CD2-OG 3.31Å; L333-S361 PolarHBondContact O-OG 3.31Å; L333-S361 VanDerWaalsContact O-OG 3.06Å; C336-S361 CarbonylContact C-O 3.57Å; C336-S361 WeakPolarHBondContact CA-O 3.26Å; A337-S361 PolarHBondContact N-O 3.48Å; K352-S361 CarbonylContact O-C 3.53Å; K352-S361 WeakPolarHBondContact O-CA 3.32Å
362Y84.9Confident81.4Confident9 Ų962.6 Ų62.64%0.03531%0.307CS..EExtended strand (participates in β ladder)trans-139.8146.117738.5-93.5000111.2K352 A353 C354 Q368K352-Y362 HydrophobicContact CB-CD2 3.77Å; K352-Y362 HydrophobicContact CB-CE2 3.38Å; K352-Y362 HydrophobicContact CD-CE2 4.3Å; K352-Y362 HydrophobicContact CG-CE2 4.45Å; K352-Y362 PolarHBondContact N-O 3.17Å; K352-Y362 WeakPolarHBondContact O-CD1 3.43Å; K352-Y362 WeakPolarHBondContact O-CE1 3.21Å; K352-Y362 PolarHBondContact O-N 3.42Å; A353-Y362 PolarHBondContact O-OH 2.87Å; C354-Y362 HydrophobicContact CB-CE1 4.31Å; Y362-Q368 HydrophobicContact CD1-CB 4.33Å; Y362-Q368 HydrophobicContact CD1-CG 4.28Å; Y362-Q368 HydrophobicContact CD2-CB 3.57Å; Y362-Q368 HydrophobicContact CD2-CG 3.94Å; Y362-Q368 HydrophobicContact CE1-CB 4.45Å; Y362-Q368 HydrophobicContact CE1-CG 3.93Å; Y362-Q368 HydrophobicContact CE2-CB 3.69Å; Y362-Q368 VanDerWaalsContact CE2-CD 3.47Å; Y362-Q368 HydrophobicContact CE2-CG 3.55Å; Y362-Q368 HydrophobicContact CG-CB 3.91Å; Y362-Q368 HydrophobicContact CG-CG 4.29Å; Y362-Q368 PolarHBondContact OH-NE2 3.47Å
363C85.6Confident80.7Confident49 Ų4958.3 Ų58.333%0.33129%0.289SS..SBendtrans-83.7-20-176.863.70000113.9C336 D341 L351 C367C336-C363 HydrophobicContact CB-CB 4.16Å; D341-C363 HydrophobicContact CB-CB 4.25Å; L351-C363 HydrophobicContact CD2-CB 3.6Å; C363-C367 VanDerWaalsContact SG-SG 3.65Å
364S85.5Confident80Confident37 Ų3757.2 Ų57.226%0.25928%0.279SS..SBendtrans-152168.3-17471.80000112.2S366 C367 Q368S364-S366 VanDerWaalsContact C-N 3.29Å; S364-S366 PolarHBondContact O-N 3.47Å; S364-S366 PolarHBondContact OG-N 3.13Å; S364-S366 PolarHBondContact OG-OG 3.26Å; S364-C367 PolarHBondContact O-N 2.92Å; S364-C367 PolarHBondContact OG-N 3.09Å; S364-Q368 WeakPolarHBondContact O-CB 3.07Å; S364-Q368 PolarHBondContact O-N 3.05Å
365V82.7Confident79.5Confident75 Ų7557.4 Ų57.446%0.45528%0.279SS..Hα-helixtrans-65-34172.1179.10000111.3Q368 R369V365-Q368 WeakPolarHBondContact O-CB 3.46Å; V365-Q368 PolarHBondContact O-N 2.67Å; V365-R369 WeakPolarHBondContact O-CG 3.37Å; V365-R369 PolarHBondContact O-N 2.95Å
366S83.4Confident78.8Confident43 Ų4353.2 Ų53.230%0.30126%0.258SS..Hα-helixtrans-63.8-46.1176.352.60000111.5S364 R369 L370S364-S366 VanDerWaalsContact C-N 3.29Å; S364-S366 PolarHBondContact O-N 3.47Å; S364-S366 PolarHBondContact OG-N 3.13Å; S364-S366 PolarHBondContact OG-OG 3.26Å; S366-R369 PolarHBondContact O-N 3.25Å; S366-L370 PolarHBondContact O-N 2.87Å
367C86.9Confident78Confident2 Ų251.5 Ų51.51%0.01425%0.249CC..Hα-helixtrans-63.4-41.5172.9-71.70000111.7T338 C363 S364 R369 L370 H371T338-C367 HydrophobicContact CG2-CB 4.35Å; T338-C367 PolarHBondContact OG1-O 3.32Å; C363-C367 VanDerWaalsContact SG-SG 3.65Å; S364-C367 PolarHBondContact O-N 2.92Å; S364-C367 PolarHBondContact OG-N 3.09Å; C367-R369 VanDerWaalsContact C-N 3.28Å; C367-R369 PolarHBondContact O-N 3.35Å; C367-L370 CarbonylContact O-C 3.59Å; C367-L370 PolarHBondContact O-N 3.23Å; C367-L370 VanDerWaalsContact O-N 3.08Å; C367-H371 PolarHBondContact O-N 3.49Å
368Q84.1Confident77.4Confident74 Ų7453.7 Ų53.735%0.34626%0.256SS..Hα-helixtrans-58.4-37.3175.2-172.3-176.32.100112.9Y362 S364 V365 L370 H371Y362-Q368 HydrophobicContact CD1-CB 4.33Å; Y362-Q368 HydrophobicContact CD1-CG 4.28Å; Y362-Q368 HydrophobicContact CD2-CB 3.57Å; Y362-Q368 HydrophobicContact CD2-CG 3.94Å; Y362-Q368 HydrophobicContact CE1-CB 4.45Å; Y362-Q368 HydrophobicContact CE1-CG 3.93Å; Y362-Q368 HydrophobicContact CE2-CB 3.69Å; Y362-Q368 VanDerWaalsContact CE2-CD 3.47Å; Y362-Q368 HydrophobicContact CE2-CG 3.55Å; Y362-Q368 HydrophobicContact CG-CB 3.91Å; Y362-Q368 HydrophobicContact CG-CG 4.29Å; Y362-Q368 PolarHBondContact OH-NE2 3.47Å; S364-Q368 WeakPolarHBondContact O-CB 3.07Å; S364-Q368 PolarHBondContact O-N 3.05Å; V365-Q368 WeakPolarHBondContact O-CB 3.46Å; V365-Q368 PolarHBondContact O-N 2.67Å; Q368-L370 VanDerWaalsContact C-N 3.28Å; Q368-L370 PolarHBondContact O-N 3.21Å; Q368-H371 WeakPolarHBondContact O-CB 3.41Å; Q368-H371 PolarHBondContact O-N 2.88Å
369R82.1Confident77Confident183 Ų18348.1 Ų48.169%0.69123%0.232SC*.Hα-helixtrans-71-26.2177.9-73173.4177.1-179.1-2.3112.6V365 S366 C367V365-R369 WeakPolarHBondContact O-CG 3.37Å; V365-R369 PolarHBondContact O-N 2.95Å; S366-R369 PolarHBondContact O-N 3.25Å; C367-R369 VanDerWaalsContact C-N 3.28Å; C367-R369 PolarHBondContact O-N 3.35Å
370L81.6Confident76.7Confident7 Ų747 Ų474%0.03723%0.232CC..Hα-helixtrans-92.5-16.8177.8-67.9169.6000113.3L174 I261 L265 T338 S366 C367 Q368 W372 F373L174-L370 HydrophobicContact CD2-CD1 3.65Å; I261-L370 HydrophobicContact CG2-CD1 3.67Å; I261-L370 HydrophobicContact CG2-CD2 4.08Å; I261-L370 HydrophobicContact CG2-CG 4.49Å; L265-L370 HydrophobicContact CD1-CB 3.87Å; L265-L370 HydrophobicContact CD1-CD1 4.38Å; L265-L370 HydrophobicContact CD1-CD2 4.32Å; L265-L370 HydrophobicContact CD1-CG 4.42Å; T338-L370 HydrophobicContact CG2-CB 3.82Å; T338-L370 HydrophobicContact CG2-CD1 4.3Å; S366-L370 PolarHBondContact O-N 2.87Å; C367-L370 CarbonylContact O-C 3.59Å; C367-L370 PolarHBondContact O-N 3.23Å; C367-L370 VanDerWaalsContact O-N 3.08Å; Q368-L370 VanDerWaalsContact C-N 3.28Å; Q368-L370 PolarHBondContact O-N 3.21Å; L370-W372 PolarHBondContact O-N 3.17Å; L370-F373 HydrophobicContact CD2-CD2 4.1Å; L370-F373 HydrophobicContact CD2-CE2 4.13Å; L370-F373 WeakPolarHBondContact O-CB 3.3Å; L370-F373 WeakPolarHBondContact O-CD2 3.04Å; L370-F373 PolarHBondContact O-N 3.47Å
371H73.5Confident76.2Confident13 Ų1348.2 Ų48.26%0.0624%0.239CC..Hα-helixtrans-47-35175.8169.973.9000113.5T360 C367 Q368 F373 T374 H375T360-H371 PolarHBondContact OG1-CE1 2.73Å; T360-H371 VanDerWaalsContact OG1-CE1 3.26Å; C367-H371 PolarHBondContact O-N 3.49Å; Q368-H371 WeakPolarHBondContact O-CB 3.41Å; Q368-H371 PolarHBondContact O-N 2.88Å; H371-F373 PolarHBondContact O-N 3.19Å; H371-T374 PolarHBondContact O-N 3.49Å; H371-T374 PolarHBondContact O-OG1 3.47Å; H371-H375 WeakPolarHBondContact CE1-CB 3.14Å; H371-H375 AromaticContact CE1-CD2 3.12Å; H371-H375 PolarHBondContact CE1-CD2 3.38Å; H371-H375 AromaticContact CE1-CG 3.29Å; H371-H375 AromaticContact NE2-CD2 3.26Å; H371-H375 PolarHBondContact NE2-CD2 3.26Å; H371-H375 VanDerWaalsContact NE2-CD2 3.26Å; H371-H375 AromaticContact NE2-CG 3.77Å; H371-H375 WeakPolarHBondContact O-CB 3.42Å; H371-H375 PolarHBondContact O-N 3.36Å
372W70.7Confident75.3Confident119 Ų11949 Ų4945%0.45124%0.243SC..Hα-helixtrans-57-35.6177.8-169.488.1000112.2L370 K376 I382L370-W372 PolarHBondContact O-N 3.17Å; W372-K376 HydrophobicContact CE3-CD 4.29Å; W372-K376 HydrophobicContact CH2-CD 4.27Å; W372-K376 HydrophobicContact CZ2-CD 4.5Å; W372-K376 HydrophobicContact CZ3-CD 4.16Å; W372-K376 WeakPolarHBondContact O-CB 3.43Å; W372-K376 VanDerWaalsContact O-CG 3.23Å; W372-K376 WeakPolarHBondContact O-CG 3.42Å; W372-K376 PolarHBondContact O-N 3.17Å; W372-I382 VanDerWaalsContact NE1-CG2 3.33Å
373F72.1Confident74.4Confident37 Ų3753.7 Ų53.716%0.16226%0.263CS..Hα-helixtrans-71.7-36.2-178.9-61.5-71.4000113.3R262 L265 L370 H371R262-F373 HydrophobicContact CG-CD1 4.48Å; R262-F373 HydrophobicContact CG-CD2 4.07Å; R262-F373 HydrophobicContact CG-CE1 4.11Å; R262-F373 HydrophobicContact CG-CE2 3.69Å; R262-F373 HydrophobicContact CG-CG 4.47Å; R262-F373 HydrophobicContact CG-CZ 3.72Å; L265-F373 HydrophobicContact CB-CB 3.87Å; L265-F373 HydrophobicContact CD1-CB 4.47Å; L370-F373 HydrophobicContact CD2-CD2 4.1Å; L370-F373 HydrophobicContact CD2-CE2 4.13Å; L370-F373 WeakPolarHBondContact O-CB 3.3Å; L370-F373 WeakPolarHBondContact O-CD2 3.04Å; L370-F373 PolarHBondContact O-N 3.47Å; H371-F373 PolarHBondContact O-N 3.19Å
374T68.3Low73.3Confident9 Ų958 Ų586%0.05528%0.276CS..Hα-helixtrans-87.3-37.4-178.858.20000113.1L265 T268 A337 H371L265-T374 HydrophobicContact CB-CG2 3.84Å; L265-T374 HydrophobicContact CD1-CG2 4.44Å; L265-T374 HydrophobicContact CD2-CG2 3.46Å; L265-T374 VanDerWaalsContact CD2-CG2 3.46Å; L265-T374 HydrophobicContact CG-CG2 4.08Å; T268-T374 WeakPolarHBondContact OG1-CA 3.45Å; A337-T374 PolarHBondContact O-OG1 3.13Å; A337-T374 VanDerWaalsContact O-OG1 3.07Å; H371-T374 PolarHBondContact O-N 3.49Å; H371-T374 PolarHBondContact O-OG1 3.47Å
375H71Confident72.2Confident13 Ų1361.1 Ų61.16%0.0629%0.287CS..Hα-helixtrans-102.9-9-167.6-166.952.4000114.7C357 T360 H371 K377 F378 C379C357-H375 PolarHBondContact SG-NE2 3.37Å; T360-H375 WeakPolarHBondContact CG2-CE1 3.38Å; T360-H375 WeakPolarHBondContact CG2-ND1 3.27Å; T360-H375 PolarHBondContact OG1-CD2 3.48Å; T360-H375 PolarHBondContact OG1-NE2 2.92Å; H371-H375 WeakPolarHBondContact CE1-CB 3.14Å; H371-H375 AromaticContact CE1-CD2 3.12Å; H371-H375 PolarHBondContact CE1-CD2 3.38Å; H371-H375 AromaticContact CE1-CG 3.29Å; H371-H375 AromaticContact NE2-CD2 3.26Å; H371-H375 PolarHBondContact NE2-CD2 3.26Å; H371-H375 VanDerWaalsContact NE2-CD2 3.26Å; H371-H375 AromaticContact NE2-CG 3.77Å; H371-H375 WeakPolarHBondContact O-CB 3.42Å; H371-H375 PolarHBondContact O-N 3.36Å; H375-K377 PolarHBondContact O-N 3.27Å; H375-F378 PolarHBondContact O-N 3.37Å; H375-C379 VanDerWaalsContact CD2-CB 3.43Å; H375-C379 WeakPolarHBondContact CD2-CB 3.45Å; H375-C379 WeakPolarHBondContact NE2-CB 3.18Å; H375-C379 PolarHBondContact O-N 3.31Å
376K68.4Low70.9Confident57 Ų5761.7 Ų61.725%0.24828%0.283CS..THydrogen-bonded Turntrans-53.3-31.4-179.559.9-178.6-176.8-178.60114.3W372 F378 I382W372-K376 HydrophobicContact CE3-CD 4.29Å; W372-K376 HydrophobicContact CH2-CD 4.27Å; W372-K376 HydrophobicContact CZ2-CD 4.5Å; W372-K376 HydrophobicContact CZ3-CD 4.16Å; W372-K376 WeakPolarHBondContact O-CB 3.43Å; W372-K376 VanDerWaalsContact O-CG 3.23Å; W372-K376 WeakPolarHBondContact O-CG 3.42Å; W372-K376 PolarHBondContact O-N 3.17Å; K376-F378 PolarHBondContact O-N 2.85Å; K376-I382 HydrophobicContact CB-CB 4.47Å; K376-I382 HydrophobicContact CB-CG2 3.49Å; K376-I382 VanDerWaalsContact CB-CG2 3.49Å
377K63.7Low69.6Low85 Ų8566.1 Ų66.137%0.3730%0.297SS..THydrogen-bonded Turntrans-71.1-12.2179.4-82.6-171.5176179.70113.8E269 H375 K383E269-K377 IonicContact OE1-NZ 3.99Å; E269-K377 PolarHBondContact OE1-NZ 3.14Å; H375-K377 PolarHBondContact O-N 3.27Å; K377-K383 WeakPolarHBondContact O-CE 3.48Å; K377-K383 PolarHBondContact O-NZ 2.82Å
378F65.7Low68Low65 Ų6570.5 Ų70.529%0.28532%0.317SS..THydrogen-bonded Turntrans-130.3-27.4-174-51.8-64.7000113.7T268 P270 H375 K376 P380T268-F378 WeakPolarHBondContact O-CE2 3.48Å; P270-F378 HydrophobicContact CB-CD2 4.39Å; P270-F378 HydrophobicContact CB-CE1 4.45Å; P270-F378 HydrophobicContact CB-CE2 4.3Å; P270-F378 HydrophobicContact CB-CZ 4.37Å; P270-F378 HydrophobicContact CG-CD1 3.73Å; P270-F378 HydrophobicContact CG-CD2 4.22Å; P270-F378 HydrophobicContact CG-CE1 3.37Å; P270-F378 HydrophobicContact CG-CE2 3.87Å; P270-F378 HydrophobicContact CG-CG 4.17Å; P270-F378 HydrophobicContact CG-CZ 3.46Å; P270-F378 VanDerWaalsContact CG-CZ 3.46Å; H375-F378 PolarHBondContact O-N 3.37Å; K376-F378 PolarHBondContact O-N 2.85Å; F378-P380 VanDerWaalsContact O-CD 3.3Å; F378-P380 WeakPolarHBondContact O-CD 3.31Å
379C72Confident66.3Low0 Ų074.3 Ų74.30%033%0.333CS..  trans-64.7119.7175.4-171.40000111H375 V381 I382 K383H375-C379 VanDerWaalsContact CD2-CB 3.43Å; H375-C379 WeakPolarHBondContact CD2-CB 3.45Å; H375-C379 WeakPolarHBondContact NE2-CB 3.18Å; H375-C379 PolarHBondContact O-N 3.31Å; C379-V381 PolarHBondContact O-N 3.44Å; C379-I382 HydrophobicContact CB-CB 3.88Å; C379-I382 HydrophobicContact CB-CD1 3.68Å; C379-I382 HydrophobicContact CB-CG1 3.74Å; C379-I382 PolarHBondContact O-N 2.83Å; C379-K383 WeakPolarHBondContact O-CG 3.47Å; C379-K383 PolarHBondContact O-N 3.07Å
380P69.2Low64.8Low83 Ų8370.9 Ų70.954%0.53933%0.325SS..Hα-helixtrans-56.6-39180-24.133.3000112.7F378 K384F378-P380 VanDerWaalsContact O-CD 3.3Å; F378-P380 WeakPolarHBondContact O-CD 3.31Å; P380-K384 PolarHBondContact O-N 2.72Å
381V65.5Low63.2Low48 Ų4879 Ų7929%0.29136%0.36SS..Hα-helixtrans-71.8-43.5-178.3177.90000111.7Q356 C379 K383 K384 H385Q356-V381 HydrophobicContact CB-CB 4.02Å; Q356-V381 HydrophobicContact CB-CG2 3.81Å; Q356-V381 HydrophobicContact CG-CB 4.11Å; Q356-V381 HydrophobicContact CG-CG1 4.09Å; Q356-V381 HydrophobicContact CG-CG2 4.15Å; C379-V381 PolarHBondContact O-N 3.44Å; V381-K383 VanDerWaalsContact C-N 3.33Å; V381-K383 PolarHBondContact O-N 2.71Å; V381-K384 PolarHBondContact O-N 2.7Å; V381-H385 PolarHBondContact O-N 3.17Å
382I63.5Low61.8Low22 Ų2282.2 Ų82.211%0.11339%0.389CS..Hα-helixtrans-66.9-38.4177.5-57.6172.5000110.4W372 K376 C379 K384 H385 K386W372-I382 VanDerWaalsContact NE1-CG2 3.33Å; K376-I382 HydrophobicContact CB-CB 4.47Å; K376-I382 HydrophobicContact CB-CG2 3.49Å; K376-I382 VanDerWaalsContact CB-CG2 3.49Å; C379-I382 HydrophobicContact CB-CB 3.88Å; C379-I382 HydrophobicContact CB-CD1 3.68Å; C379-I382 HydrophobicContact CB-CG1 3.74Å; C379-I382 PolarHBondContact O-N 2.83Å; I382-K384 VanDerWaalsContact C-N 3.29Å; I382-K384 PolarHBondContact O-N 3.02Å; I382-H385 PolarHBondContact O-N 2.94Å; I382-K386 PolarHBondContact O-N 3.5Å
383K66.8Low60.3Low107 Ų10788.2 Ų88.247%0.46542%0.418SS..Hα-helixtrans-57.2-42.5171.9-79.8-172.3-179.1179.10112K377 C379 V381 K386 K387K377-K383 WeakPolarHBondContact O-CE 3.48Å; K377-K383 PolarHBondContact O-NZ 2.82Å; C379-K383 WeakPolarHBondContact O-CG 3.47Å; C379-K383 PolarHBondContact O-N 3.07Å; V381-K383 VanDerWaalsContact C-N 3.33Å; V381-K383 PolarHBondContact O-N 2.71Å; K383-K386 PolarHBondContact O-N 3.19Å; K383-K387 PolarHBondContact O-N 3.01Å
384K63.4Low59.7Low138 Ų13890.8 Ų90.860%0.643%0.431SS*.Hα-helixtrans-65.2-49.6179.3-170.5-178.4175.1-174.40111.6P380 V381 I382 K386 K387 E388P380-K384 PolarHBondContact O-N 2.72Å; V381-K384 PolarHBondContact O-N 2.7Å; I382-K384 VanDerWaalsContact C-N 3.29Å; I382-K384 PolarHBondContact O-N 3.02Å; K384-K386 VanDerWaalsContact C-N 3.3Å; K384-K386 PolarHBondContact O-N 2.91Å; K384-K387 WeakPolarHBondContact O-CB 3.44Å; K384-K387 PolarHBondContact O-N 2.75Å; K384-K387 VanDerWaalsContact O-N 3.13Å; K384-E388 WeakPolarHBondContact CE-OE1 3.43Å; K384-E388 PolarHBondContact O-N 2.71Å; K384-E388 VanDerWaalsContact O-N 3.12Å
385H60.8Low59.2Low103 Ų10395.1 Ų95.148%0.47745%0.451SS..Hα-helixtrans-59.2-38.8176.3-89.3-57.6000112.9V381 I382 K387 E388 F389V381-H385 PolarHBondContact O-N 3.17Å; I382-H385 PolarHBondContact O-N 2.94Å; H385-K387 VanDerWaalsContact C-N 3.35Å; H385-K387 PolarHBondContact O-N 3.26Å; H385-E388 IonicContact CE1-OE2 3.16Å; H385-E388 IonicContact CG-OE2 3.28Å; H385-E388 IonicContact ND1-OE2 2.82Å; H385-E388 PolarHBondContact ND1-OE2 2.88Å; H385-E388 VanDerWaalsContact ND1-OE2 3.16Å; H385-E388 WeakPolarHBondContact O-CB 3.49Å; H385-E388 PolarHBondContact O-N 2.97Å; H385-F389 WeakPolarHBondContact O-CD2 3.43Å; H385-F389 PolarHBondContact O-N 3.12Å
386K55.9Low58.6Low88 Ų8899.7 Ų99.738%0.38347%0.473SS..Hα-helixtrans-62.4-41.8176.3-173.7173.8179.7-86.70112I382 K383 K384 E388 F389 E390I382-K386 PolarHBondContact O-N 3.5Å; K383-K386 PolarHBondContact O-N 3.19Å; K384-K386 VanDerWaalsContact C-N 3.3Å; K384-K386 PolarHBondContact O-N 2.91Å; K386-E388 VanDerWaalsContact C-N 3.31Å; K386-E388 PolarHBondContact O-N 2.64Å; K386-F389 PolarHBondContact O-N 2.85Å; K386-E390 VanDerWaalsContact CE-OE1 3.26Å; K386-E390 WeakPolarHBondContact CE-OE1 3.24Å; K386-E390 HydrophobicContact CG-CG 4.16Å; K386-E390 IonicContact NZ-OE1 3.99Å; K386-E390 PolarHBondContact NZ-OE1 3.06Å; K386-E390 IonicContact NZ-OE2 2.86Å; K386-E390 PolarHBondContact NZ-OE2 2.89Å; K386-E390 WeakPolarHBondContact O-CB 3.39Å; K386-E390 WeakPolarHBondContact O-CG 2.98Å; K386-E390 PolarHBondContact O-N 2.82Å
387K57Low58Low136 Ų136102.2 Ų102.259%0.59149%0.486SS*.Hα-helixtrans-58.5-46.4174.5-71.7-176.1177.4-172.20110.3K383 K384 H385 F389 E390 F391K383-K387 PolarHBondContact O-N 3.01Å; K384-K387 WeakPolarHBondContact O-CB 3.44Å; K384-K387 PolarHBondContact O-N 2.75Å; K384-K387 VanDerWaalsContact O-N 3.13Å; H385-K387 VanDerWaalsContact C-N 3.35Å; H385-K387 PolarHBondContact O-N 3.26Å; K387-F389 VanDerWaalsContact C-N 3.33Å; K387-F389 PolarHBondContact O-N 2.7Å; K387-E390 PolarHBondContact O-N 2.81Å; K387-F391 HydrophobicContact CB-CD2 4.39Å; K387-F391 HydrophobicContact CB-CE2 4.28Å; K387-F391 WeakPolarHBondContact O-CD2 3.2Å; K387-F391 PolarHBondContact O-N 3.07Å
388E52.1Low57.6Low94 Ų94103.3 Ų103.344%0.43949%0.493SS..Hα-helixtrans-58.5-40.6177.5-67.2165-177.200112.7K384 H385 K386 A392K384-E388 WeakPolarHBondContact CE-OE1 3.43Å; K384-E388 PolarHBondContact O-N 2.71Å; K384-E388 VanDerWaalsContact O-N 3.12Å; H385-E388 IonicContact CE1-OE2 3.16Å; H385-E388 IonicContact CG-OE2 3.28Å; H385-E388 IonicContact ND1-OE2 2.82Å; H385-E388 PolarHBondContact ND1-OE2 2.88Å; H385-E388 VanDerWaalsContact ND1-OE2 3.16Å; H385-E388 WeakPolarHBondContact O-CB 3.49Å; H385-E388 PolarHBondContact O-N 2.97Å; K386-E388 VanDerWaalsContact C-N 3.31Å; K386-E388 PolarHBondContact O-N 2.64Å; E388-A392 PolarHBondContact O-N 3.5Å
389F47.9Very low57.1Low153 Ų153105.8 Ų105.867%0.67151%0.507SS*.Hα-helixtrans-78.3-30.1177.4-85.7-80.7000114.5H385 K386 K387 A392H385-F389 WeakPolarHBondContact O-CD2 3.43Å; H385-F389 PolarHBondContact O-N 3.12Å; K386-F389 PolarHBondContact O-N 2.85Å; K387-F389 VanDerWaalsContact C-N 3.33Å; K387-F389 PolarHBondContact O-N 2.7Å; F389-A392 PolarHBondContact O-N 2.89Å
390E50.9Low56Low111 Ų111113.4 Ų113.452%0.51954%0.543SS..Hα-helixtrans-73.7-28.1174.3-75.6-176.2145.400112K386 K387 A392K386-E390 VanDerWaalsContact CE-OE1 3.26Å; K386-E390 WeakPolarHBondContact CE-OE1 3.24Å; K386-E390 HydrophobicContact CG-CG 4.16Å; K386-E390 IonicContact NZ-OE1 3.99Å; K386-E390 PolarHBondContact NZ-OE1 3.06Å; K386-E390 IonicContact NZ-OE2 2.86Å; K386-E390 PolarHBondContact NZ-OE2 2.89Å; K386-E390 WeakPolarHBondContact O-CB 3.39Å; K386-E390 WeakPolarHBondContact O-CG 2.98Å; K386-E390 PolarHBondContact O-N 2.82Å; K387-E390 PolarHBondContact O-N 2.81Å; E390-A392 VanDerWaalsContact C-N 3.29Å
391F48.7Very low55Low177 Ų177115.7 Ų115.778%0.77654%0.543SS*.THydrogen-bonded Turntrans-79-10.6170.8-75.2-65000113.6K387K387-F391 HydrophobicContact CB-CD2 4.39Å; K387-F391 HydrophobicContact CB-CE2 4.28Å; K387-F391 WeakPolarHBondContact O-CD2 3.2Å; K387-F391 PolarHBondContact O-N 3.07Å
392A43.8Very low54.1Low81 Ų81121.3 Ų121.367%0.66956%0.564SS**THydrogen-bonded Turntrans-98.12.3179.700000114E388 F389 E390E388-A392 PolarHBondContact O-N 3.5Å; F389-A392 PolarHBondContact O-N 2.89Å; E390-A392 VanDerWaalsContact C-N 3.29Å
393K38.5Very low53.3Low246 Ų246130.4 Ų130.4100%1.0761%0.605SS**  trans-1030167.2-74-170.8176.5-170.80109.2

Retrieved 393 of 393 residues in 97.6 ms (Link to these results)

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