X2JEL4_DROME Loading...

Ric8a, isoform B

AlphaFold DB (Q9W358), UniProt , Accession X2JEL4, Species DROME (Drosophila melanogaster, Fruit fly), Gene ric8a, Length 573 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M84Confident93.2Very high58 Ų5871.1 Ų71.129%0.28636%0.359SS..  0139.90175.7174.1-75.300107H5 L6 L9 F24 L42 L46M1-H5 HydrophobicContact CG-CB 4.07Å; M1-L6 HydrophobicContact SD-CB 4.17Å; M1-L6 HydrophobicContact SD-CD1 4.27Å; M1-L9 HydrophobicContact CE-CD1 4.01Å; M1-L9 HydrophobicContact SD-CD1 3.91Å; M1-F24 HydrophobicContact CE-CB 4.22Å; M1-F24 HydrophobicContact CE-CD2 3.46Å; M1-F24 VanDerWaalsContact CE-CD2 3.46Å; M1-F24 HydrophobicContact CE-CE2 4.08Å; M1-F24 HydrophobicContact CE-CG 3.99Å; M1-L42 HydrophobicContact CB-CD1 4.34Å; M1-L42 HydrophobicContact CB-CD2 4.35Å; M1-L46 HydrophobicContact CE-CD1 3.48Å; M1-L46 VanDerWaalsContact CE-CD1 3.48Å; M1-L46 HydrophobicContact CE-CD2 3.64Å; M1-L46 HydrophobicContact CE-CG 4.2Å; M1-L46 HydrophobicContact SD-CD1 3.65Å; M1-L46 HydrophobicContact SD-CD2 4.19Å; M1-L46 HydrophobicContact SD-CG 4.42Å
2E87.3Confident93.5Very high118 Ų11871.5 Ų71.555%0.55136%0.357SS*.  trans-69.8142.2178.6-61.1-173.517600110.6E4 H5 L6E2-E4 PolarHBondContact O-N 3.21Å; E2-H5 HydrophobicContact CB-CB 4.47Å; E2-H5 WeakPolarHBondContact O-CB 3.46Å; E2-H5 PolarHBondContact O-N 3.07Å; E2-L6 PolarHBondContact O-N 3.29Å; E2-L6 VanDerWaalsContact O-N 3.13Å
3T89.5Confident93.6Very high101 Ų10172.2 Ų72.262%0.6236%0.358SS*.Hα-helixtrans-59.1-32.7-177.8-47.90000112.2K7T3-K7 WeakPolarHBondContact O-CG 3.39Å; T3-K7 PolarHBondContact O-N 2.67Å; T3-K7 VanDerWaalsContact O-N 3.15Å
4E92.7Very high93.6Very high109 Ų10969.5 Ų69.551%0.50935%0.353SS..Hα-helixtrans-66.7-44.4175.6-175171.7-178.500111.6E2 L6 K7 R8E2-E4 PolarHBondContact O-N 3.21Å; E4-L6 VanDerWaalsContact C-N 3.32Å; E4-L6 PolarHBondContact O-N 3.15Å; E4-K7 PolarHBondContact O-N 3.1Å; E4-R8 WeakPolarHBondContact O-CG 3.41Å; E4-R8 PolarHBondContact O-N 3.31Å; E4-R8 VanDerWaalsContact O-N 3.1Å; E4-R8 IonicContact OE1-CZ 3.01Å; E4-R8 IonicContact OE1-NE 2.7Å; E4-R8 IonicContact OE1-NH2 3.75Å; E4-R8 PolarHBondContact OE1-NH2 3.24Å
5H95.2Very high93.7Very high33 Ų3375.1 Ų75.115%0.15338%0.384CS..Hα-helixtrans-59.9-44.6177.3-71.3-171.3000111.2M1 E2 K7 R8 L9 I20 E23M1-H5 HydrophobicContact CG-CB 4.07Å; E2-H5 HydrophobicContact CB-CB 4.47Å; E2-H5 WeakPolarHBondContact O-CB 3.46Å; E2-H5 PolarHBondContact O-N 3.07Å; H5-K7 PolarHBondContact O-N 3.31Å; H5-R8 PolarHBondContact O-N 2.92Å; H5-L9 WeakPolarHBondContact O-CG 3.47Å; H5-L9 PolarHBondContact O-N 3.1Å; H5-L9 VanDerWaalsContact O-N 3.08Å; H5-I20 HydrophobicContact CB-CD1 4.15Å; H5-I20 HydrophobicContact CB-CG1 4.2Å; H5-I20 HydrophobicContact CB-CG2 3.84Å; H5-E23 IonicContact CE1-OE2 3.03Å; H5-E23 PolarHBondContact CE1-OE2 3.02Å; H5-E23 IonicContact ND1-OE2 3.52Å
6L94.8Very high93.9Very high6 Ų675.3 Ų75.33%0.03138%0.383CS..Hα-helixtrans-60.1-46.6177.9-178.162.2000112.1M1 E2 E4 R8 L9 E10 L42 E45 L46 A49M1-L6 HydrophobicContact SD-CB 4.17Å; M1-L6 HydrophobicContact SD-CD1 4.27Å; E2-L6 PolarHBondContact O-N 3.29Å; E2-L6 VanDerWaalsContact O-N 3.13Å; E4-L6 VanDerWaalsContact C-N 3.32Å; E4-L6 PolarHBondContact O-N 3.15Å; L6-R8 VanDerWaalsContact C-N 3.28Å; L6-R8 PolarHBondContact O-N 3.48Å; L6-L9 WeakPolarHBondContact O-CB 3.38Å; L6-L9 PolarHBondContact O-N 3.42Å; L6-L9 VanDerWaalsContact O-N 3.08Å; L6-E10 WeakPolarHBondContact O-CG 3.25Å; L6-E10 PolarHBondContact O-N 3.13Å; L6-L42 HydrophobicContact CD2-CD1 3.83Å; L6-E45 HydrophobicContact CD1-CB 4.4Å; L6-E45 HydrophobicContact CD2-CB 3.84Å; L6-E45 VanDerWaalsContact CD2-OE2 3.28Å; L6-E45 WeakPolarHBondContact CD2-OE2 3.38Å; L6-L46 HydrophobicContact CD1-CB 4.19Å; L6-L46 HydrophobicContact CD1-CD1 4.34Å; L6-A49 HydrophobicContact CD1-CB 4.23Å
7K95.9Very high94Very high133 Ų13370.9 Ų70.958%0.57836%0.36SS*.Hα-helixtrans-59.3-38177.2-74.1178.7179.8-179.90112.9T3 E4 H5 L9 E10 A11T3-K7 WeakPolarHBondContact O-CG 3.39Å; T3-K7 PolarHBondContact O-N 2.67Å; T3-K7 VanDerWaalsContact O-N 3.15Å; E4-K7 PolarHBondContact O-N 3.1Å; H5-K7 PolarHBondContact O-N 3.31Å; K7-L9 VanDerWaalsContact C-N 3.35Å; K7-E10 PolarHBondContact O-N 3.24Å; K7-A11 VanDerWaalsContact O-CB 3.27Å; K7-A11 WeakPolarHBondContact O-CB 3.27Å; K7-A11 PolarHBondContact O-N 3.43Å
8R96.5Very high94.2Very high61 Ų6169.4 Ų69.423%0.2336%0.357CS..Hα-helixtrans-67.5-35.4176.5-65.3-172.9-172.7179.43.2112.2E4 H5 L6 K12 E13 H16 I20E4-R8 WeakPolarHBondContact O-CG 3.41Å; E4-R8 PolarHBondContact O-N 3.31Å; E4-R8 VanDerWaalsContact O-N 3.1Å; E4-R8 IonicContact OE1-CZ 3.01Å; E4-R8 IonicContact OE1-NE 2.7Å; E4-R8 IonicContact OE1-NH2 3.75Å; E4-R8 PolarHBondContact OE1-NH2 3.24Å; H5-R8 PolarHBondContact O-N 2.92Å; L6-R8 VanDerWaalsContact C-N 3.28Å; L6-R8 PolarHBondContact O-N 3.48Å; R8-K12 PolarHBondContact O-N 3.08Å; R8-E13 HydrophobicContact CB-CB 4.45Å; R8-E13 WeakPolarHBondContact CD-OE2 3.41Å; R8-E13 VanDerWaalsContact CG-OE2 3.25Å; R8-E13 WeakPolarHBondContact CG-OE2 3.45Å; R8-E13 PolarHBondContact O-N 3.18Å; R8-H16 PolarHBondContact NH1-ND1 2.94Å; R8-I20 HydrophobicContact CB-CD1 3.93Å
9L96.9Very high94.4Very high0 Ų069.4 Ų69.40%037%0.368CS..Hα-helixtrans-66.3-46.8172.9-64.1178.6000111.3M1 H5 L6 K7 A11 K12 I17 I20 L21 L46 A49 I50 I53M1-L9 HydrophobicContact CE-CD1 4.01Å; M1-L9 HydrophobicContact SD-CD1 3.91Å; H5-L9 WeakPolarHBondContact O-CG 3.47Å; H5-L9 PolarHBondContact O-N 3.1Å; H5-L9 VanDerWaalsContact O-N 3.08Å; L6-L9 WeakPolarHBondContact O-CB 3.38Å; L6-L9 PolarHBondContact O-N 3.42Å; L6-L9 VanDerWaalsContact O-N 3.08Å; K7-L9 VanDerWaalsContact C-N 3.35Å; L9-A11 VanDerWaalsContact C-N 3.31Å; L9-A11 PolarHBondContact O-N 3.08Å; L9-K12 WeakPolarHBondContact O-CA 3.39Å; L9-K12 PolarHBondContact O-N 3.41Å; L9-I17 HydrophobicContact CD2-CB 4.32Å; L9-I17 HydrophobicContact CD2-CG1 3.93Å; L9-I17 HydrophobicContact CD2-CG2 4.14Å; L9-I20 HydrophobicContact CD1-CG2 3.99Å; L9-I20 HydrophobicContact CD2-CB 4.37Å; L9-I20 HydrophobicContact CD2-CD1 4.48Å; L9-I20 HydrophobicContact CD2-CG2 4Å; L9-I20 HydrophobicContact CG-CG2 4.07Å; L9-L21 HydrophobicContact CD1-CD2 4.09Å; L9-L21 HydrophobicContact CD2-CD2 3.94Å; L9-L21 HydrophobicContact CD2-CG 4.35Å; L9-L46 HydrophobicContact CD1-CD1 3.67Å; L9-A49 HydrophobicContact CB-CB 4.06Å; L9-I50 HydrophobicContact CD1-CD1 4.18Å; L9-I53 HydrophobicContact CB-CD1 4.41Å; L9-I53 HydrophobicContact CD2-CD1 4.21Å
10E96.2Very high94.5Very high99 Ų9966.3 Ų66.346%0.46335%0.351SS..Hα-helixtrans-60.6-40176.9-69.4175162.400112.2L6 K7 K12 A49L6-E10 WeakPolarHBondContact O-CG 3.25Å; L6-E10 PolarHBondContact O-N 3.13Å; K7-E10 PolarHBondContact O-N 3.24Å; E10-K12 PolarHBondContact O-N 2.83Å; E10-A49 HydrophobicContact CG-CB 3.8Å
11A96.2Very high94.7Very high64 Ų6463.1 Ų63.153%0.52934%0.335SS..THydrogen-bonded Turntrans-74.2-5.6175.600000113.7K7 L9 E13K7-A11 VanDerWaalsContact O-CB 3.27Å; K7-A11 WeakPolarHBondContact O-CB 3.27Å; K7-A11 PolarHBondContact O-N 3.43Å; L9-A11 VanDerWaalsContact C-N 3.31Å; L9-A11 PolarHBondContact O-N 3.08Å; A11-E13 VanDerWaalsContact C-N 3.31Å; A11-E13 HydrophobicContact CB-CG 4.05Å; A11-E13 PolarHBondContact O-N 3.18Å
12K96.7Very high95.3Very high76 Ų7665 Ų6533%0.3335%0.346SS..THydrogen-bonded Turntrans56.440.5-178.9-57.3179.7176.8-170.40113.2R8 L9 E10 A14 G52 I53 D56 L59R8-K12 PolarHBondContact O-N 3.08Å; L9-K12 WeakPolarHBondContact O-CA 3.39Å; L9-K12 PolarHBondContact O-N 3.41Å; E10-K12 PolarHBondContact O-N 2.83Å; K12-A14 PolarHBondContact O-N 3.07Å; K12-G52 VanDerWaalsContact CE-C 3.49Å; K12-G52 WeakPolarHBondContact CE-O 3.28Å; K12-G52 PolarHBondContact NZ-O 3.33Å; K12-I53 HydrophobicContact CG-CG1 4.21Å; K12-D56 IonicContact NZ-OD2 3.18Å; K12-L59 HydrophobicContact CB-CD1 4.01Å; K12-L59 HydrophobicContact CD-CD1 4.36Å; K12-L59 HydrophobicContact CG-CD1 4.41Å
13E95.2Very high95.8Very high80 Ų8063.7 Ų63.737%0.37434%0.339SS..  trans-71.786.6178.9-67.8178.3-16800111.2R8 A11 D15 H16 I17R8-E13 HydrophobicContact CB-CB 4.45Å; R8-E13 WeakPolarHBondContact CD-OE2 3.41Å; R8-E13 VanDerWaalsContact CG-OE2 3.25Å; R8-E13 WeakPolarHBondContact CG-OE2 3.45Å; R8-E13 PolarHBondContact O-N 3.18Å; A11-E13 VanDerWaalsContact C-N 3.31Å; A11-E13 HydrophobicContact CB-CG 4.05Å; A11-E13 PolarHBondContact O-N 3.18Å; E13-D15 PolarHBondContact O-N 3Å; E13-H16 PolarHBondContact O-N 3.26Å; E13-H16 IonicContact OE2-CD2 3.49Å; E13-H16 PolarHBondContact OE2-CD2 3.33Å; E13-H16 VanDerWaalsContact OE2-CD2 3.24Å; E13-I17 WeakPolarHBondContact O-CG1 3.43Å; E13-I17 PolarHBondContact O-N 3.11Å
14A93.3Very high96.2Very high35 Ų3559.4 Ų59.429%0.28931%0.312SS..THydrogen-bonded Turntrans-48.5-37-170.900000114.8K12 H16 P18 L59K12-A14 PolarHBondContact O-N 3.07Å; A14-H16 VanDerWaalsContact C-N 3.28Å; A14-H16 PolarHBondContact O-N 3.29Å; A14-P18 WeakPolarHBondContact O-CD 3.34Å; A14-L59 HydrophobicContact CB-CD2 3.82Å
15D95.5Very high96.4Very high154 Ų15455.2 Ų55.282%0.82429%0.294SS*.THydrogen-bonded Turntrans-68.7-24.8-178.1-62.6-27.2000113.3E13E13-D15 PolarHBondContact O-N 3Å
16H95.7Very high96.5Very high78 Ų7858.4 Ų58.436%0.36132%0.315SS..THydrogen-bonded Turntrans-100.2-25.2-177.7-66.2-57.2000113.4R8 E13 A14 A19 I20R8-H16 PolarHBondContact NH1-ND1 2.94Å; E13-H16 PolarHBondContact O-N 3.26Å; E13-H16 IonicContact OE2-CD2 3.49Å; E13-H16 PolarHBondContact OE2-CD2 3.33Å; E13-H16 VanDerWaalsContact OE2-CD2 3.24Å; A14-H16 VanDerWaalsContact C-N 3.28Å; A14-H16 PolarHBondContact O-N 3.29Å; H16-A19 PolarHBondContact O-N 2.98Å; H16-I20 HydrophobicContact CB-CD1 4.01Å; H16-I20 WeakPolarHBondContact O-CG1 3.4Å; H16-I20 PolarHBondContact O-N 3.36Å
17I96.9Very high96.5Very high0 Ų065.8 Ų65.80%035%0.347CS..Hα-helixtrans-53.7-50.3-176.5-65.8167.8000112.3L9 E13 A19 I20 L21 I53 L59 L62L9-I17 HydrophobicContact CD2-CB 4.32Å; L9-I17 HydrophobicContact CD2-CG1 3.93Å; L9-I17 HydrophobicContact CD2-CG2 4.14Å; E13-I17 WeakPolarHBondContact O-CG1 3.43Å; E13-I17 PolarHBondContact O-N 3.11Å; I17-A19 VanDerWaalsContact C-N 3.34Å; I17-A19 PolarHBondContact O-N 3.02Å; I17-I20 PolarHBondContact O-N 3.25Å; I17-L21 HydrophobicContact CG2-CD1 3.56Å; I17-L21 HydrophobicContact CG2-CG 3.87Å; I17-L21 WeakPolarHBondContact O-CG 3.38Å; I17-L21 PolarHBondContact O-N 3.37Å; I17-I53 HydrophobicContact CD1-CD1 3.8Å; I17-I53 HydrophobicContact CD1-CG1 4.15Å; I17-I53 HydrophobicContact CG1-CD1 4.26Å; I17-I53 HydrophobicContact CG2-CD1 4.36Å; I17-L59 HydrophobicContact CD1-CD1 4.39Å; I17-L62 HydrophobicContact CB-CD1 3.96Å; I17-L62 HydrophobicContact CD1-CD1 3.88Å; I17-L62 HydrophobicContact CG2-CD1 3.85Å
18P97.2Very high96.6Very high45 Ų4560.2 Ų60.229%0.29232%0.324SS..Hα-helixtrans-56.2-44.9-176.2-25.632.2000113.6A14 D22 L62A14-P18 WeakPolarHBondContact O-CD 3.34Å; P18-D22 VanDerWaalsContact O-CB 3.22Å; P18-D22 WeakPolarHBondContact O-CB 3.49Å; P18-D22 PolarHBondContact O-N 2.91Å; P18-L62 HydrophobicContact CG-CD2 3.73Å
19A97.1Very high96.5Very high69 Ų6959.3 Ų59.357%0.5733%0.329SS*.Hα-helixtrans-69.1-42.3-178.300000111.7H16 I17 D22 E23H16-A19 PolarHBondContact O-N 2.98Å; I17-A19 VanDerWaalsContact C-N 3.34Å; I17-A19 PolarHBondContact O-N 3.02Å; A19-D22 PolarHBondContact O-N 2.74Å; A19-E23 WeakPolarHBondContact O-CB 3.44Å; A19-E23 PolarHBondContact O-N 2.93Å
20I97.6Very high96.3Very high7 Ų766.3 Ų66.34%0.03637%0.367CS..Hα-helixtrans-62-46.1177.9-67.5167.5000110.6H5 R8 L9 H16 I17 F24H5-I20 HydrophobicContact CB-CD1 4.15Å; H5-I20 HydrophobicContact CB-CG1 4.2Å; H5-I20 HydrophobicContact CB-CG2 3.84Å; R8-I20 HydrophobicContact CB-CD1 3.93Å; L9-I20 HydrophobicContact CD1-CG2 3.99Å; L9-I20 HydrophobicContact CD2-CB 4.37Å; L9-I20 HydrophobicContact CD2-CD1 4.48Å; L9-I20 HydrophobicContact CD2-CG2 4Å; L9-I20 HydrophobicContact CG-CG2 4.07Å; H16-I20 HydrophobicContact CB-CD1 4.01Å; H16-I20 WeakPolarHBondContact O-CG1 3.4Å; H16-I20 PolarHBondContact O-N 3.36Å; I17-I20 PolarHBondContact O-N 3.25Å; I20-F24 WeakPolarHBondContact O-CB 3.37Å; I20-F24 PolarHBondContact O-N 3.18Å
21L97.7Very high96.2Very high0 Ų063.3 Ų63.30%035%0.354CS..Hα-helixtrans-72.5-36.1-178.9-61.7-171000112.2L9 I17 F24 N25 I50 Q65 T69L9-L21 HydrophobicContact CD1-CD2 4.09Å; L9-L21 HydrophobicContact CD2-CD2 3.94Å; L9-L21 HydrophobicContact CD2-CG 4.35Å; I17-L21 HydrophobicContact CG2-CD1 3.56Å; I17-L21 HydrophobicContact CG2-CG 3.87Å; I17-L21 WeakPolarHBondContact O-CG 3.38Å; I17-L21 PolarHBondContact O-N 3.37Å; L21-F24 PolarHBondContact O-N 2.99Å; L21-N25 WeakPolarHBondContact O-CB 3.43Å; L21-N25 PolarHBondContact O-N 2.9Å; L21-N25 PolarHBondContact O-ND2 3.36Å; L21-N25 VanDerWaalsContact O-ND2 3.08Å; L21-I50 HydrophobicContact CD1-CD1 4.3Å; L21-I50 HydrophobicContact CD2-CD1 3.49Å; L21-I50 VanDerWaalsContact CD2-CD1 3.49Å; L21-Q65 HydrophobicContact CB-CB 4.49Å; L21-Q65 HydrophobicContact CD1-CB 4.18Å; L21-T69 HydrophobicContact CD2-CG2 4.49Å
22D97.5Very high96Very high97 Ų9766.9 Ų66.952%0.51936%0.363SS..Hα-helixtrans-63.5-44.8175.5-170.362.8000111.7P18 A19 N25 T26P18-D22 VanDerWaalsContact O-CB 3.22Å; P18-D22 WeakPolarHBondContact O-CB 3.49Å; P18-D22 PolarHBondContact O-N 2.91Å; A19-D22 PolarHBondContact O-N 2.74Å; D22-N25 PolarHBondContact O-N 3.41Å; D22-T26 VanDerWaalsContact O-CB 3.27Å; D22-T26 WeakPolarHBondContact O-CB 3.03Å; D22-T26 PolarHBondContact O-N 3.33Å; D22-T26 PolarHBondContact O-OG1 3.49Å
23E97.1Very high95.8Very high90 Ų9067.7 Ų67.742%0.42137%0.374SS..Hα-helixtrans-60.2-48.1173.6-171-163.7154.100110.9H5 A19 K27H5-E23 IonicContact CE1-OE2 3.03Å; H5-E23 PolarHBondContact CE1-OE2 3.02Å; H5-E23 IonicContact ND1-OE2 3.52Å; A19-E23 WeakPolarHBondContact O-CB 3.44Å; A19-E23 PolarHBondContact O-N 2.93Å; E23-K27 WeakPolarHBondContact O-CB 3.29Å; E23-K27 PolarHBondContact O-N 3.3Å
24F97.3Very high95.7Very high11 Ų1164 Ų645%0.04836%0.357CS..Hα-helixtrans-60-50.4178.8178.2-87.6000111.8M1 I20 L21 T26 K27 N28 F37 L46 T69 I72 L73M1-F24 HydrophobicContact CE-CB 4.22Å; M1-F24 HydrophobicContact CE-CD2 3.46Å; M1-F24 VanDerWaalsContact CE-CD2 3.46Å; M1-F24 HydrophobicContact CE-CE2 4.08Å; M1-F24 HydrophobicContact CE-CG 3.99Å; I20-F24 WeakPolarHBondContact O-CB 3.37Å; I20-F24 PolarHBondContact O-N 3.18Å; L21-F24 PolarHBondContact O-N 2.99Å; F24-T26 VanDerWaalsContact C-N 3.34Å; F24-T26 PolarHBondContact O-N 2.98Å; F24-K27 PolarHBondContact O-N 2.86Å; F24-N28 WeakPolarHBondContact CD2-ND2 3.2Å; F24-N28 HydrophobicContact CE1-CB 4.4Å; F24-N28 HydrophobicContact CZ-CB 4.35Å; F24-N28 WeakPolarHBondContact O-CB 3.41Å; F24-N28 PolarHBondContact O-N 3Å; F24-N28 PolarHBondContact O-ND2 3.24Å; F24-F37 AromaticContact CE2-CE1 3.68Å; F24-F37 HydrophobicContact CE2-CE1 3.68Å; F24-F37 AromaticContact CE2-CZ 3.79Å; F24-F37 HydrophobicContact CE2-CZ 3.79Å; F24-F37 HydrophobicContact CZ-CE1 4.37Å; F24-F37 HydrophobicContact CZ-CZ 4.4Å; F24-L46 HydrophobicContact CD2-CD2 4.3Å; F24-L46 HydrophobicContact CE2-CD2 3.66Å; F24-L46 HydrophobicContact CZ-CD2 3.88Å; F24-T69 HydrophobicContact CD1-CG2 3.72Å; F24-T69 HydrophobicContact CE1-CG2 3.6Å; F24-T69 HydrophobicContact CZ-CG2 4.36Å; F24-I72 HydrophobicContact CE1-CB 4.4Å; F24-I72 HydrophobicContact CE1-CD1 4.15Å; F24-I72 HydrophobicContact CE1-CG2 4.35Å; F24-L73 HydrophobicContact CZ-CD2 4.16Å
25N97.6Very high95.7Very high22 Ų2266.7 Ų66.712%0.11837%0.367CS..Hα-helixtrans-64.8-39.9-175.9-73.8-30.8000111.2L21 D22 A29 Q65 T69 I72L21-N25 WeakPolarHBondContact O-CB 3.43Å; L21-N25 PolarHBondContact O-N 2.9Å; L21-N25 PolarHBondContact O-ND2 3.36Å; L21-N25 VanDerWaalsContact O-ND2 3.08Å; D22-N25 PolarHBondContact O-N 3.41Å; N25-A29 WeakPolarHBondContact O-CA 3.23Å; N25-A29 WeakPolarHBondContact O-CB 3.2Å; N25-A29 PolarHBondContact O-N 3.07Å; N25-Q65 PolarHBondContact ND2-O 2.99Å; N25-T69 VanDerWaalsContact OD1-CA 3.27Å; N25-T69 WeakPolarHBondContact OD1-CA 3.39Å; N25-T69 PolarHBondContact OD1-N 3.2Å; N25-T69 PolarHBondContact OD1-OG1 3.11Å; N25-T69 VanDerWaalsContact OD1-OG1 3.13Å; N25-I72 HydrophobicContact CB-CD1 4.45Å
26T97.1Very high95.4Very high99 Ų9963.1 Ų63.161%0.60735%0.353SS*.Hα-helixtrans-67.4-47.2177.1-59.90000111.2D22 F24 N28D22-T26 VanDerWaalsContact O-CB 3.27Å; D22-T26 WeakPolarHBondContact O-CB 3.03Å; D22-T26 PolarHBondContact O-N 3.33Å; D22-T26 PolarHBondContact O-OG1 3.49Å; F24-T26 VanDerWaalsContact C-N 3.34Å; F24-T26 PolarHBondContact O-N 2.98Å; T26-N28 VanDerWaalsContact C-N 3.32Å; T26-N28 PolarHBondContact O-N 3.45Å
27K96.3Very high95.3Very high161 Ų16159.9 Ų59.970%0.734%0.338SS*.Hα-helixtrans-67.4-31.5-178-176.2174.7-179.41730113.3E23 F24E23-K27 WeakPolarHBondContact O-CB 3.29Å; E23-K27 PolarHBondContact O-N 3.3Å; F24-K27 PolarHBondContact O-N 2.86Å
28N96.1Very high95Very high16 Ų1664 Ų649%0.08635%0.354CS..THydrogen-bonded Turntrans-111.914.5-173.4-55.8-78.7000113.2F24 T26 D30 L31 I72F24-N28 WeakPolarHBondContact CD2-ND2 3.2Å; F24-N28 HydrophobicContact CE1-CB 4.4Å; F24-N28 HydrophobicContact CZ-CB 4.35Å; F24-N28 WeakPolarHBondContact O-CB 3.41Å; F24-N28 PolarHBondContact O-N 3Å; F24-N28 PolarHBondContact O-ND2 3.24Å; T26-N28 VanDerWaalsContact C-N 3.32Å; T26-N28 PolarHBondContact O-N 3.45Å; N28-D30 PolarHBondContact O-N 3.3Å; N28-D30 VanDerWaalsContact O-N 3.16Å; N28-L31 HydrophobicContact CB-CB 3.96Å; N28-L31 HydrophobicContact CB-CD2 4.12Å; N28-L31 VanDerWaalsContact O-CB 3.25Å; N28-L31 WeakPolarHBondContact O-CB 3.46Å; N28-L31 PolarHBondContact O-N 2.93Å; N28-I72 HydrophobicContact CB-CD1 4.39Å; N28-I72 HydrophobicContact CB-CG2 4.13Å
29A94.7Very high94.6Very high42 Ų4265.8 Ų65.835%0.34736%0.364SS..THydrogen-bonded Turntrans-53.5-38.7-176.200000113.3N25 R75N25-A29 WeakPolarHBondContact O-CA 3.23Å; N25-A29 WeakPolarHBondContact O-CB 3.2Å; N25-A29 PolarHBondContact O-N 3.07Å; A29-R75 PolarHBondContact O-NH1 2.98Å; A29-R75 PolarHBondContact O-NH2 3.1Å; A29-R75 VanDerWaalsContact O-NH2 3.07Å
30D94.4Very high94.2Very high148 Ų14869.3 Ų69.379%0.79137%0.373SS*.THydrogen-bonded Turntrans-107.916.1-179.7-59.9-42.9000113.1N28 L32N28-D30 PolarHBondContact O-N 3.3Å; N28-D30 VanDerWaalsContact O-N 3.16Å; D30-L32 PolarHBondContact O-N 3.41Å
31L93.2Very high93.9Very high35 Ų3574.1 Ų74.118%0.18340%0.399CS..  trans-65.3126.8-178.6-171.672.6000111.1N28 V33 F34 F37 I72 R75N28-L31 HydrophobicContact CB-CB 3.96Å; N28-L31 HydrophobicContact CB-CD2 4.12Å; N28-L31 VanDerWaalsContact O-CB 3.25Å; N28-L31 WeakPolarHBondContact O-CB 3.46Å; N28-L31 PolarHBondContact O-N 2.93Å; L31-V33 VanDerWaalsContact CD1-O 3.32Å; L31-V33 WeakPolarHBondContact CD1-O 3.43Å; L31-F34 HydrophobicContact CD2-CD1 3.76Å; L31-F34 HydrophobicContact CD2-CE1 3.5Å; L31-F34 HydrophobicContact CD2-CE2 4.45Å; L31-F34 HydrophobicContact CD2-CG 4.35Å; L31-F34 HydrophobicContact CD2-CZ 3.87Å; L31-F34 HydrophobicContact CG-CE1 4.25Å; L31-F34 HydrophobicContact CG-CE2 4.36Å; L31-F34 HydrophobicContact CG-CZ 4.12Å; L31-F37 HydrophobicContact CD2-CD2 3.89Å; L31-F37 HydrophobicContact CD2-CE2 3.42Å; L31-F37 VanDerWaalsContact CD2-CE2 3.42Å; L31-F37 HydrophobicContact CD2-CZ 4.3Å; L31-I72 HydrophobicContact CB-CG2 4.47Å; L31-R75 PolarHBondContact O-NH1 3.46Å
32L91.6Very high93.7Very high140 Ų14075.4 Ų75.473%0.73341%0.406SS*.  trans-123.9-15.2175.9-62.5177.6000113.4D30D30-L32 PolarHBondContact O-N 3.41Å
33V92.3Very high93.7Very high93 Ų9370.9 Ų70.956%0.56438%0.382SS*.  trans-117.2120.9-179.7-179.90000109L31 D35L31-V33 VanDerWaalsContact CD1-O 3.32Å; L31-V33 WeakPolarHBondContact CD1-O 3.43Å; V33-D35 WeakPolarHBondContact CG1-OD2 3.18Å
34F93.8Very high93.6Very high1 Ų169.1 Ų69.10%0.00437%0.373CS..  trans-110.514.6-168.8-71.2-98.3000114.1L31 S36 F37 R38 I72 R75 D76L31-F34 HydrophobicContact CD2-CD1 3.76Å; L31-F34 HydrophobicContact CD2-CE1 3.5Å; L31-F34 HydrophobicContact CD2-CE2 4.45Å; L31-F34 HydrophobicContact CD2-CG 4.35Å; L31-F34 HydrophobicContact CD2-CZ 3.87Å; L31-F34 HydrophobicContact CG-CE1 4.25Å; L31-F34 HydrophobicContact CG-CE2 4.36Å; L31-F34 HydrophobicContact CG-CZ 4.12Å; F34-S36 VanDerWaalsContact C-N 3.27Å; F34-S36 PolarHBondContact O-N 3.21Å; F34-F37 HydrophobicContact CB-CB 4.49Å; F34-F37 HydrophobicContact CD1-CB 4.47Å; F34-F37 HydrophobicContact CD1-CD2 4.11Å; F34-F37 HydrophobicContact CD1-CG 4.47Å; F34-F37 CarbonylContact O-C 3.41Å; F34-F37 WeakPolarHBondContact O-CA 3.43Å; F34-F37 WeakPolarHBondContact O-CB 3.42Å; F34-F37 PolarHBondContact O-N 3.4Å; F34-R38 WeakPolarHBondContact O-CG 3.27Å; F34-R38 PolarHBondContact O-N 3.46Å; F34-I72 HydrophobicContact CE1-CG2 4.36Å; F34-I72 HydrophobicContact CZ-CG2 4.32Å; F34-I72 VanDerWaalsContact CZ-O 3.3Å; F34-I72 WeakPolarHBondContact CZ-O 3.39Å; F34-R75 HydrophobicContact CE2-CB 4.02Å; F34-R75 HydrophobicContact CZ-CB 4.02Å; F34-D76 HydrophobicContact CB-CB 4.02Å; F34-D76 VanDerWaalsContact CB-CG 3.5Å; F34-D76 VanDerWaalsContact CB-OD2 3.29Å; F34-D76 WeakPolarHBondContact CB-OD2 3.4Å; F34-D76 HydrophobicContact CD1-CB 3.92Å; F34-D76 HydrophobicContact CD2-CB 3.6Å; F34-D76 HydrophobicContact CE1-CB 4.26Å; F34-D76 HydrophobicContact CE2-CB 3.98Å; F34-D76 HydrophobicContact CG-CB 3.57Å; F34-D76 HydrophobicContact CZ-CB 4.31Å
35D92.2Very high93.6Very high93 Ų9372.6 Ų72.650%0.49739%0.39SS..Hα-helixtrans-55.3-39.6-175.1-63.9-30.3000113.5V33 F37 R38 T39V33-D35 WeakPolarHBondContact CG1-OD2 3.18Å; D35-F37 PolarHBondContact O-N 3.45Å; D35-R38 PolarHBondContact O-N 2.85Å; D35-R38 IonicContact OD1-CZ 2.67Å; D35-R38 IonicContact OD1-NH1 3.86Å; D35-R38 PolarHBondContact OD1-NH1 2.69Å; D35-T39 PolarHBondContact O-N 2.55Å; D35-T39 PolarHBondContact O-OG1 2.94Å
36S90.4Very high93.5Very high78 Ų7871.5 Ų71.555%0.54538%0.384SS..Hα-helixtrans-67-24.1175.5600000113.7F34F34-S36 VanDerWaalsContact C-N 3.27Å; F34-S36 PolarHBondContact O-N 3.21Å
37F92.6Very high93.6Very high10 Ų1066.8 Ų66.84%0.04436%0.355CS..Hα-helixtrans-88.3-25.3176.8-69-82.2000112.2F24 L31 F34 D35 T39 L42 W43F24-F37 AromaticContact CE2-CE1 3.68Å; F24-F37 HydrophobicContact CE2-CE1 3.68Å; F24-F37 AromaticContact CE2-CZ 3.79Å; F24-F37 HydrophobicContact CE2-CZ 3.79Å; F24-F37 HydrophobicContact CZ-CE1 4.37Å; F24-F37 HydrophobicContact CZ-CZ 4.4Å; L31-F37 HydrophobicContact CD2-CD2 3.89Å; L31-F37 HydrophobicContact CD2-CE2 3.42Å; L31-F37 VanDerWaalsContact CD2-CE2 3.42Å; L31-F37 HydrophobicContact CD2-CZ 4.3Å; F34-F37 HydrophobicContact CB-CB 4.49Å; F34-F37 HydrophobicContact CD1-CB 4.47Å; F34-F37 HydrophobicContact CD1-CD2 4.11Å; F34-F37 HydrophobicContact CD1-CG 4.47Å; F34-F37 CarbonylContact O-C 3.41Å; F34-F37 WeakPolarHBondContact O-CA 3.43Å; F34-F37 WeakPolarHBondContact O-CB 3.42Å; F34-F37 PolarHBondContact O-N 3.4Å; D35-F37 PolarHBondContact O-N 3.45Å; F37-T39 VanDerWaalsContact C-N 3.28Å; F37-L42 HydrophobicContact CD1-CD2 3.84Å; F37-L42 HydrophobicContact CD1-CG 4.12Å; F37-L42 HydrophobicContact CE1-CD2 4.2Å; F37-L42 CarbonylContact O-C 3.3Å; F37-L42 PolarHBondContact O-N 3Å; F37-W43 HydrophobicContact CB-CB 4.08Å; F37-W43 WeakPolarHBondContact O-CB 3.4Å; F37-W43 PolarHBondContact O-N 3.42Å
38R91.5Very high93.6Very high87 Ų8762.8 Ų62.833%0.32834%0.341SS..Hα-helixtrans-73.4-24.5173.5-63.3167.3-168.7169.4-8.9112F34 D35 D76 F78F34-R38 WeakPolarHBondContact O-CG 3.27Å; F34-R38 PolarHBondContact O-N 3.46Å; D35-R38 PolarHBondContact O-N 2.85Å; D35-R38 IonicContact OD1-CZ 2.67Å; D35-R38 IonicContact OD1-NH1 3.86Å; D35-R38 PolarHBondContact OD1-NH1 2.69Å; R38-D76 IonicContact CZ-OD1 3.6Å; R38-D76 IonicContact NE-OD1 3.72Å; R38-D76 PolarHBondContact NE-OD1 2.72Å; R38-D76 IonicContact NE-OD2 3.35Å; R38-D76 PolarHBondContact NE-OD2 3.34Å; R38-D76 IonicContact NH2-OD1 3.24Å; R38-D76 PolarHBondContact NH2-OD1 2.8Å; R38-D76 IonicContact NH2-OD2 3.36Å; R38-F78 HydrophobicContact CG-CD1 4.13Å
39T88.9Confident93.7Very high82 Ų8262.4 Ų62.450%0.50334%0.34SS..G310 helixtrans-66.6137.3175.8-51.40000110.1D35 F37 N41 L42D35-T39 PolarHBondContact O-N 2.55Å; D35-T39 PolarHBondContact O-OG1 2.94Å; F37-T39 VanDerWaalsContact C-N 3.28Å; T39-N41 PolarHBondContact O-N 3.28Å; T39-N41 VanDerWaalsContact O-N 3.07Å; T39-L42 PolarHBondContact O-N 3.47Å
40D88Confident93.9Very high143 Ų14360.4 Ų60.477%0.76532%0.323SS*.G310 helixtrans52.328.7179.2-57.3-34000114.6L42D40-L42 PolarHBondContact O-N 3.49Å; D40-L42 VanDerWaalsContact O-N 3.1Å
41N90.9Very high94.1Very high108 Ų10853.5 Ų53.558%0.57829%0.286SS*.G310 helixtrans57.119.3-177.6-66.7-27.7000115.4T39 W43 H44 E45T39-N41 PolarHBondContact O-N 3.28Å; T39-N41 VanDerWaalsContact O-N 3.07Å; N41-W43 PolarHBondContact O-N 3.35Å; N41-W43 VanDerWaalsContact O-N 3.11Å; N41-H44 PolarHBondContact O-N 3.1Å; N41-E45 PolarHBondContact O-N 3.37Å
42L94.8Very high94.3Very high27 Ų2752.8 Ų52.814%0.14129%0.287CS..Hα-helixtrans-55.2-36.6-174.9178.163000113.3M1 L6 F37 T39 D40 H44 L46M1-L42 HydrophobicContact CB-CD1 4.34Å; M1-L42 HydrophobicContact CB-CD2 4.35Å; L6-L42 HydrophobicContact CD2-CD1 3.83Å; F37-L42 HydrophobicContact CD1-CD2 3.84Å; F37-L42 HydrophobicContact CD1-CG 4.12Å; F37-L42 HydrophobicContact CE1-CD2 4.2Å; F37-L42 CarbonylContact O-C 3.3Å; F37-L42 PolarHBondContact O-N 3Å; T39-L42 PolarHBondContact O-N 3.47Å; D40-L42 PolarHBondContact O-N 3.49Å; D40-L42 VanDerWaalsContact O-N 3.1Å; L42-H44 VanDerWaalsContact C-N 3.34Å; L42-L46 WeakPolarHBondContact O-CB 3.22Å; L42-L46 PolarHBondContact O-N 3.24Å
43W96Very high94.6Very high3 Ų346.1 Ų46.11%0.01125%0.253CS..Hα-helixtrans-59.2-46.6175.8-174.7101.9000110.9F37 N41 W47 L73 S79 L80 N83F37-W43 HydrophobicContact CB-CB 4.08Å; F37-W43 WeakPolarHBondContact O-CB 3.4Å; F37-W43 PolarHBondContact O-N 3.42Å; N41-W43 PolarHBondContact O-N 3.35Å; N41-W43 VanDerWaalsContact O-N 3.11Å; W43-W47 HydrophobicContact CE3-CB 4.12Å; W43-W47 HydrophobicContact CH2-CB 4.3Å; W43-W47 AromaticContact CH2-CD2 3.51Å; W43-W47 HydrophobicContact CH2-CD2 3.51Å; W43-W47 AromaticContact CH2-CE3 3.49Å; W43-W47 HydrophobicContact CH2-CE3 3.49Å; W43-W47 VanDerWaalsContact CH2-CE3 3.49Å; W43-W47 AromaticContact CH2-CG 3.89Å; W43-W47 HydrophobicContact CH2-CG 3.89Å; W43-W47 HydrophobicContact CH2-CZ3 4.02Å; W43-W47 HydrophobicContact CZ2-CD2 4.07Å; W43-W47 AromaticContact CZ2-CE3 3.54Å; W43-W47 HydrophobicContact CZ2-CE3 3.54Å; W43-W47 AromaticContact CZ2-CZ3 3.9Å; W43-W47 HydrophobicContact CZ2-CZ3 3.9Å; W43-W47 HydrophobicContact CZ3-CB 3.92Å; W43-W47 AromaticContact CZ3-CD2 3.98Å; W43-W47 HydrophobicContact CZ3-CD2 3.98Å; W43-W47 HydrophobicContact CZ3-CE3 4.28Å; W43-W47 AromaticContact CZ3-CG 3.83Å; W43-W47 HydrophobicContact CZ3-CG 3.83Å; W43-W47 WeakPolarHBondContact O-CB 3.19Å; W43-W47 PolarHBondContact O-N 3.03Å; W43-L73 HydrophobicContact CZ2-CB 4.26Å; W43-L73 PolarHBondContact NE1-O 3.28Å; W43-S79 VanDerWaalsContact CE2-CB 3.44Å; W43-L80 HydrophobicContact CH2-CD2 3.93Å; W43-L80 HydrophobicContact CZ2-CD2 3.92Å; W43-L80 HydrophobicContact CZ2-CG 4.41Å; W43-N83 HydrophobicContact CZ3-CB 4.17Å
44H96.2Very high94.8Very high52 Ų5242 Ų4224%0.24123%0.227CC..Hα-helixtrans-73.7-41-175.8-172.357.5000111.7N41 L42 W47 L48 N83N41-H44 PolarHBondContact O-N 3.1Å; L42-H44 VanDerWaalsContact C-N 3.34Å; H44-W47 WeakPolarHBondContact O-CB 3.32Å; H44-W47 PolarHBondContact O-N 3.47Å; H44-L48 WeakPolarHBondContact O-CG 3.15Å; H44-L48 PolarHBondContact O-N 2.79Å; H44-N83 PolarHBondContact ND1-OD1 3.37Å
45E96.4Very high95Very high84 Ų8447 Ų4739%0.39325%0.254SS..Hα-helixtrans-61.8-46.4175-64-176.7162.400111.1L6 N41 W47 L48 A49L6-E45 HydrophobicContact CD1-CB 4.4Å; L6-E45 HydrophobicContact CD2-CB 3.84Å; L6-E45 VanDerWaalsContact CD2-OE2 3.28Å; L6-E45 WeakPolarHBondContact CD2-OE2 3.38Å; N41-E45 PolarHBondContact O-N 3.37Å; E45-W47 PolarHBondContact O-N 2.92Å; E45-L48 PolarHBondContact O-N 3.13Å; E45-A49 WeakPolarHBondContact O-CB 3.2Å; E45-A49 PolarHBondContact O-N 3.23Å
46L96.9Very high95.1Very high0 Ų044 Ų440%024%0.238CC..Hα-helixtrans-62.2-44.4175177.955.9000111.5M1 L6 L9 F24 L42 L48 A49 I50 L73M1-L46 HydrophobicContact CE-CD1 3.48Å; M1-L46 VanDerWaalsContact CE-CD1 3.48Å; M1-L46 HydrophobicContact CE-CD2 3.64Å; M1-L46 HydrophobicContact CE-CG 4.2Å; M1-L46 HydrophobicContact SD-CD1 3.65Å; M1-L46 HydrophobicContact SD-CD2 4.19Å; M1-L46 HydrophobicContact SD-CG 4.42Å; L6-L46 HydrophobicContact CD1-CB 4.19Å; L6-L46 HydrophobicContact CD1-CD1 4.34Å; L9-L46 HydrophobicContact CD1-CD1 3.67Å; F24-L46 HydrophobicContact CD2-CD2 4.3Å; F24-L46 HydrophobicContact CE2-CD2 3.66Å; F24-L46 HydrophobicContact CZ-CD2 3.88Å; L42-L46 WeakPolarHBondContact O-CB 3.22Å; L42-L46 PolarHBondContact O-N 3.24Å; L46-L48 PolarHBondContact O-N 3.49Å; L46-A49 PolarHBondContact O-N 3.49Å; L46-I50 HydrophobicContact CD1-CD1 4.1Å; L46-I50 HydrophobicContact CD1-CG1 3.78Å; L46-I50 HydrophobicContact CG-CG1 4.34Å; L46-I50 VanDerWaalsContact O-CG1 3.23Å; L46-I50 WeakPolarHBondContact O-CG1 3.36Å; L46-I50 PolarHBondContact O-N 3.34Å; L46-L73 HydrophobicContact CD2-CD1 4.23Å; L46-L73 HydrophobicContact CD2-CD2 4.16Å; L46-L73 HydrophobicContact CG-CD1 4.09Å
47W97.7Very high95.3Very high0 Ų046.9 Ų46.90%024%0.243CC..Hα-helixtrans-53.7-53.8176.6-179-93000111W43 H44 E45 A49 I50 F51 V70 L73 T74 L80 I85 E88 L142W43-W47 HydrophobicContact CE3-CB 4.12Å; W43-W47 HydrophobicContact CH2-CB 4.3Å; W43-W47 AromaticContact CH2-CD2 3.51Å; W43-W47 HydrophobicContact CH2-CD2 3.51Å; W43-W47 AromaticContact CH2-CE3 3.49Å; W43-W47 HydrophobicContact CH2-CE3 3.49Å; W43-W47 VanDerWaalsContact CH2-CE3 3.49Å; W43-W47 AromaticContact CH2-CG 3.89Å; W43-W47 HydrophobicContact CH2-CG 3.89Å; W43-W47 HydrophobicContact CH2-CZ3 4.02Å; W43-W47 HydrophobicContact CZ2-CD2 4.07Å; W43-W47 AromaticContact CZ2-CE3 3.54Å; W43-W47 HydrophobicContact CZ2-CE3 3.54Å; W43-W47 AromaticContact CZ2-CZ3 3.9Å; W43-W47 HydrophobicContact CZ2-CZ3 3.9Å; W43-W47 HydrophobicContact CZ3-CB 3.92Å; W43-W47 AromaticContact CZ3-CD2 3.98Å; W43-W47 HydrophobicContact CZ3-CD2 3.98Å; W43-W47 HydrophobicContact CZ3-CE3 4.28Å; W43-W47 AromaticContact CZ3-CG 3.83Å; W43-W47 HydrophobicContact CZ3-CG 3.83Å; W43-W47 WeakPolarHBondContact O-CB 3.19Å; W43-W47 PolarHBondContact O-N 3.03Å; H44-W47 WeakPolarHBondContact O-CB 3.32Å; H44-W47 PolarHBondContact O-N 3.47Å; E45-W47 PolarHBondContact O-N 2.92Å; W47-A49 PolarHBondContact O-N 3.39Å; W47-I50 PolarHBondContact O-N 2.95Å; W47-F51 AromaticContact CD2-CD2 4Å; W47-F51 HydrophobicContact CD2-CD2 4Å; W47-F51 AromaticContact CD2-CE2 3.75Å; W47-F51 HydrophobicContact CD2-CE2 3.75Å; W47-F51 AromaticContact CE2-CD2 3.73Å; W47-F51 AromaticContact CE2-CE2 3.34Å; W47-F51 HydrophobicContact CE3-CE2 4.09Å; W47-F51 HydrophobicContact CG-CD2 4.2Å; W47-F51 HydrophobicContact CG-CE2 4.43Å; W47-F51 AromaticContact CH2-CE2 3.69Å; W47-F51 HydrophobicContact CH2-CE2 3.69Å; W47-F51 HydrophobicContact CH2-CZ 4.15Å; W47-F51 HydrophobicContact CZ2-CD2 4.15Å; W47-F51 AromaticContact CZ2-CE2 3.31Å; W47-F51 HydrophobicContact CZ2-CE2 3.31Å; W47-F51 AromaticContact CZ2-CZ 3.84Å; W47-F51 HydrophobicContact CZ2-CZ 3.84Å; W47-F51 HydrophobicContact CZ3-CE2 4.07Å; W47-F51 AromaticContact NE1-CD2 3.77Å; W47-F51 AromaticContact NE1-CE2 3.83Å; W47-F51 WeakPolarHBondContact O-CD2 3.25Å; W47-F51 PolarHBondContact O-N 3.37Å; W47-V70 HydrophobicContact CH2-CG1 3.94Å; W47-V70 HydrophobicContact CZ3-CG1 3.84Å; W47-L73 HydrophobicContact CE3-CB 3.9Å; W47-L73 HydrophobicContact CE3-CD1 4Å; W47-L73 HydrophobicContact CZ3-CB 4.01Å; W47-T74 HydrophobicContact CH2-CG2 3.8Å; W47-T74 HydrophobicContact CZ3-CG2 3.85Å; W47-L80 HydrophobicContact CH2-CD2 4.4Å; W47-I85 HydrophobicContact CZ2-CB 4.29Å; W47-I85 HydrophobicContact CZ2-CD1 4.17Å; W47-I85 HydrophobicContact CZ2-CG2 4.19Å; W47-E88 HydrophobicContact CZ2-CB 3.92Å; W47-E88 VanDerWaalsContact NE1-CG 3.32Å; W47-L142 HydrophobicContact CH2-CD2 4.41Å
48L97.5Very high95.5Very high77 Ų7756.5 Ų56.540%0.40328%0.279SS..Hα-helixtrans-63.8-39.7179.5-67.9179.7000112.8H44 E45 L46 I50 F51 G52H44-L48 WeakPolarHBondContact O-CG 3.15Å; H44-L48 PolarHBondContact O-N 2.79Å; E45-L48 PolarHBondContact O-N 3.13Å; L46-L48 PolarHBondContact O-N 3.49Å; L48-I50 VanDerWaalsContact C-N 3.34Å; L48-I50 PolarHBondContact O-N 3.28Å; L48-F51 PolarHBondContact O-N 3.41Å; L48-G52 PolarHBondContact O-N 2.98Å
49A97.7Very high95.7Very high8 Ų853.1 Ų53.17%0.06627%0.267CS..Hα-helixtrans-60.9-44177.300000111.5L6 L9 E10 E45 L46 W47 G52 I53L6-A49 HydrophobicContact CD1-CB 4.23Å; L9-A49 HydrophobicContact CB-CB 4.06Å; E10-A49 HydrophobicContact CG-CB 3.8Å; E45-A49 WeakPolarHBondContact O-CB 3.2Å; E45-A49 PolarHBondContact O-N 3.23Å; L46-A49 PolarHBondContact O-N 3.49Å; W47-A49 PolarHBondContact O-N 3.39Å; A49-G52 PolarHBondContact O-N 2.96Å; A49-I53 WeakPolarHBondContact O-CG1 3.44Å; A49-I53 PolarHBondContact O-N 3.46Å
50I98.3Very high96Very high0 Ų051.5 Ų51.50%026%0.259CS..Hα-helixtrans-67.3-44.7178.7-62-64.7000111.4L9 L21 L46 W47 L48 G52 I53 L54 C66 T69 V70L9-I50 HydrophobicContact CD1-CD1 4.18Å; L21-I50 HydrophobicContact CD1-CD1 4.3Å; L21-I50 HydrophobicContact CD2-CD1 3.49Å; L21-I50 VanDerWaalsContact CD2-CD1 3.49Å; L46-I50 HydrophobicContact CD1-CD1 4.1Å; L46-I50 HydrophobicContact CD1-CG1 3.78Å; L46-I50 HydrophobicContact CG-CG1 4.34Å; L46-I50 VanDerWaalsContact O-CG1 3.23Å; L46-I50 WeakPolarHBondContact O-CG1 3.36Å; L46-I50 PolarHBondContact O-N 3.34Å; W47-I50 PolarHBondContact O-N 2.95Å; L48-I50 VanDerWaalsContact C-N 3.34Å; L48-I50 PolarHBondContact O-N 3.28Å; I50-G52 VanDerWaalsContact C-N 3.29Å; I50-G52 PolarHBondContact O-N 3.46Å; I50-I53 WeakPolarHBondContact O-CB 3.46Å; I50-I53 PolarHBondContact O-N 2.8Å; I50-I53 VanDerWaalsContact O-N 3.08Å; I50-L54 HydrophobicContact CG2-CD1 4.27Å; I50-L54 HydrophobicContact CG2-CG 4.49Å; I50-L54 WeakPolarHBondContact O-CG 3.21Å; I50-L54 PolarHBondContact O-N 2.8Å; I50-C66 HydrophobicContact CG2-CB 3.78Å; I50-T69 HydrophobicContact CD1-CG2 3.99Å; I50-T69 HydrophobicContact CG1-CG2 3.96Å; I50-V70 HydrophobicContact CG2-CG2 3.59Å
51F98.3Very high96.3Very high3 Ų350.9 Ų50.91%0.01325%0.251CS..Hα-helixtrans-64.9-35.2176.5-86.7-81.9000112.4W47 L48 I53 L54 D55 V70 E88 T91 L92W47-F51 AromaticContact CD2-CD2 4Å; W47-F51 HydrophobicContact CD2-CD2 4Å; W47-F51 AromaticContact CD2-CE2 3.75Å; W47-F51 HydrophobicContact CD2-CE2 3.75Å; W47-F51 AromaticContact CE2-CD2 3.73Å; W47-F51 AromaticContact CE2-CE2 3.34Å; W47-F51 HydrophobicContact CE3-CE2 4.09Å; W47-F51 HydrophobicContact CG-CD2 4.2Å; W47-F51 HydrophobicContact CG-CE2 4.43Å; W47-F51 AromaticContact CH2-CE2 3.69Å; W47-F51 HydrophobicContact CH2-CE2 3.69Å; W47-F51 HydrophobicContact CH2-CZ 4.15Å; W47-F51 HydrophobicContact CZ2-CD2 4.15Å; W47-F51 AromaticContact CZ2-CE2 3.31Å; W47-F51 HydrophobicContact CZ2-CE2 3.31Å; W47-F51 AromaticContact CZ2-CZ 3.84Å; W47-F51 HydrophobicContact CZ2-CZ 3.84Å; W47-F51 HydrophobicContact CZ3-CE2 4.07Å; W47-F51 AromaticContact NE1-CD2 3.77Å; W47-F51 AromaticContact NE1-CE2 3.83Å; W47-F51 WeakPolarHBondContact O-CD2 3.25Å; W47-F51 PolarHBondContact O-N 3.37Å; L48-F51 PolarHBondContact O-N 3.41Å; F51-I53 PolarHBondContact O-N 2.93Å; F51-L54 HydrophobicContact CD1-CD1 3.94Å; F51-L54 HydrophobicContact CE1-CD1 3.92Å; F51-L54 HydrophobicContact CG-CD1 4.36Å; F51-L54 HydrophobicContact CZ-CD1 4.32Å; F51-L54 PolarHBondContact O-N 3.07Å; F51-L54 VanDerWaalsContact O-N 3.11Å; F51-D55 PolarHBondContact O-N 3.08Å; F51-V70 HydrophobicContact CD2-CG2 4.46Å; F51-V70 HydrophobicContact CE2-CG1 4.03Å; F51-V70 HydrophobicContact CE2-CG2 3.79Å; F51-V70 HydrophobicContact CZ-CG1 3.97Å; F51-V70 HydrophobicContact CZ-CG2 4.11Å; F51-E88 HydrophobicContact CB-CG 3.79Å; F51-E88 HydrophobicContact CD1-CB 3.61Å; F51-E88 HydrophobicContact CD1-CG 3.56Å; F51-E88 HydrophobicContact CD2-CB 3.84Å; F51-E88 HydrophobicContact CD2-CG 3.48Å; F51-E88 VanDerWaalsContact CD2-CG 3.48Å; F51-E88 HydrophobicContact CE1-CB 3.49Å; F51-E88 VanDerWaalsContact CE1-CB 3.49Å; F51-E88 HydrophobicContact CE1-CG 4Å; F51-E88 VanDerWaalsContact CE1-O 3.26Å; F51-E88 WeakPolarHBondContact CE1-O 3.23Å; F51-E88 HydrophobicContact CE2-CB 3.75Å; F51-E88 HydrophobicContact CE2-CG 3.95Å; F51-E88 HydrophobicContact CG-CB 3.78Å; F51-E88 HydrophobicContact CG-CG 3.29Å; F51-E88 HydrophobicContact CZ-CB 3.58Å; F51-E88 HydrophobicContact CZ-CG 4.18Å; F51-T91 HydrophobicContact CD1-CG2 3.99Å; F51-T91 HydrophobicContact CE1-CG2 4.16Å; F51-L92 HydrophobicContact CE1-CD2 4.24Å; F51-L92 HydrophobicContact CE1-CG 3.91Å; F51-L92 HydrophobicContact CZ-CD1 4.03Å; F51-L92 HydrophobicContact CZ-CD2 4.14Å; F51-L92 HydrophobicContact CZ-CG 3.86Å
52G97.4Very high96.6Very high20 Ų2045.9 Ų45.921%0.20623%0.225CC..Hα-helixtrans-56.9-37.4170.200000113.1K12 L48 A49 I50K12-G52 VanDerWaalsContact CE-C 3.49Å; K12-G52 WeakPolarHBondContact CE-O 3.28Å; K12-G52 PolarHBondContact NZ-O 3.33Å; L48-G52 PolarHBondContact O-N 2.98Å; A49-G52 PolarHBondContact O-N 2.96Å; I50-G52 VanDerWaalsContact C-N 3.29Å; I50-G52 PolarHBondContact O-N 3.46Å
53I98Very high96.8Very high0 Ų044.9 Ų44.90%022%0.219CC..Hα-helixtrans-72.8-41.7174.4-63.5159.7000111L9 K12 I17 A49 I50 F51 D55 D56 L59 H63 C66L9-I53 HydrophobicContact CB-CD1 4.41Å; L9-I53 HydrophobicContact CD2-CD1 4.21Å; K12-I53 HydrophobicContact CG-CG1 4.21Å; I17-I53 HydrophobicContact CD1-CD1 3.8Å; I17-I53 HydrophobicContact CD1-CG1 4.15Å; I17-I53 HydrophobicContact CG1-CD1 4.26Å; I17-I53 HydrophobicContact CG2-CD1 4.36Å; A49-I53 WeakPolarHBondContact O-CG1 3.44Å; A49-I53 PolarHBondContact O-N 3.46Å; I50-I53 WeakPolarHBondContact O-CB 3.46Å; I50-I53 PolarHBondContact O-N 2.8Å; I50-I53 VanDerWaalsContact O-N 3.08Å; F51-I53 PolarHBondContact O-N 2.93Å; I53-D55 VanDerWaalsContact C-N 3.26Å; I53-D55 PolarHBondContact O-N 3.03Å; I53-D56 PolarHBondContact O-N 3.16Å; I53-L59 HydrophobicContact CG1-CD1 4.47Å; I53-L59 HydrophobicContact CG2-CB 4Å; I53-L59 HydrophobicContact CG2-CD1 3.89Å; I53-H63 PolarHBondContact O-NE2 3.07Å; I53-C66 VanDerWaalsContact CG2-SG 3.53Å
54L98.1Very high96.8Very high5 Ų546.3 Ų46.33%0.02623%0.228CC..Hα-helixtrans-61.2-34.1177.7-70.8174.1000112.6I50 F51 D56 H63 C66 L67 V70 T91 L95I50-L54 HydrophobicContact CG2-CD1 4.27Å; I50-L54 HydrophobicContact CG2-CG 4.49Å; I50-L54 WeakPolarHBondContact O-CG 3.21Å; I50-L54 PolarHBondContact O-N 2.8Å; F51-L54 HydrophobicContact CD1-CD1 3.94Å; F51-L54 HydrophobicContact CE1-CD1 3.92Å; F51-L54 HydrophobicContact CG-CD1 4.36Å; F51-L54 HydrophobicContact CZ-CD1 4.32Å; F51-L54 PolarHBondContact O-N 3.07Å; F51-L54 VanDerWaalsContact O-N 3.11Å; L54-D56 VanDerWaalsContact C-N 3.28Å; L54-D56 PolarHBondContact O-N 3.13Å; L54-H63 HydrophobicContact CD2-CB 3.99Å; L54-H63 PolarHBondContact O-CE1 3.36Å; L54-H63 PolarHBondContact O-NE2 3.29Å; L54-H63 VanDerWaalsContact O-NE2 3.12Å; L54-C66 HydrophobicContact CD2-CB 3.54Å; L54-C66 HydrophobicContact CG-CB 3.94Å; L54-L67 HydrophobicContact CD1-CD2 4.03Å; L54-L67 HydrophobicContact CD2-CD2 4.22Å; L54-L67 HydrophobicContact CD2-CG 4.01Å; L54-V70 HydrophobicContact CD1-CG2 4.05Å; L54-T91 HydrophobicContact CB-CG2 4.22Å; L54-L95 HydrophobicContact CB-CD1 4.3Å; L54-L95 HydrophobicContact CD1-CD1 4.35Å; L54-L95 HydrophobicContact CD2-CD1 4Å; L54-L95 HydrophobicContact CG-CD1 4.45Å
55D96.4Very high96.9Very high107 Ų10746.4 Ų46.457%0.57223%0.229SC*.THydrogen-bonded Turntrans-76.1-12.5176.6-69.6-27.8000113.4F51 I53 T91F51-D55 PolarHBondContact O-N 3.08Å; I53-D55 VanDerWaalsContact C-N 3.26Å; I53-D55 PolarHBondContact O-N 3.03Å; D55-T91 VanDerWaalsContact OD1-CG2 3.23Å; D55-T91 WeakPolarHBondContact OD1-CG2 3.49Å; D55-T91 PolarHBondContact OD1-OG1 3.48Å
56D96.1Very high97Very high29 Ų2942.4 Ų42.416%0.15521%0.21CC..  trans-92.9105177.2-162.2-24.9000112K12 I53 L54 R58 L59 H63K12-D56 IonicContact NZ-OD2 3.18Å; I53-D56 PolarHBondContact O-N 3.16Å; L54-D56 VanDerWaalsContact C-N 3.28Å; L54-D56 PolarHBondContact O-N 3.13Å; D56-R58 PolarHBondContact O-N 3.08Å; D56-R58 VanDerWaalsContact O-N 3.12Å; D56-R58 VanDerWaalsContact OD1-CB 3.27Å; D56-R58 WeakPolarHBondContact OD1-CB 3.3Å; D56-R58 WeakPolarHBondContact OD1-CG 3.27Å; D56-R58 PolarHBondContact OD1-N 3.45Å; D56-R58 IonicContact OD1-NE 3.88Å; D56-L59 HydrophobicContact CB-CB 4.42Å; D56-L59 HydrophobicContact CB-CD1 4.19Å; D56-L59 HydrophobicContact CB-CG 4.27Å; D56-L59 PolarHBondContact O-N 3.09Å; D56-H63 PolarHBondContact O-NE2 2.91Å
57Q94.2Very high97.1Very high140 Ų14042.4 Ų42.465%0.65421%0.21SC*.G310 helixtrans-60.7-24.3179.9-165.860.432.900113.6L59 S60Q57-L59 PolarHBondContact O-N 3.07Å; Q57-S60 VanDerWaalsContact O-CB 3.26Å; Q57-S60 WeakPolarHBondContact O-CB 3.39Å; Q57-S60 PolarHBondContact O-N 3.31Å; Q57-S60 PolarHBondContact O-OG 2.99Å
58R96.1Very high97.1Very high212 Ų21244.1 Ų44.180%0.822%0.219SC*.G310 helixtrans-66.7-26.5176.1-58.3170.5-127.5-177.4-1.3111.4D56D56-R58 PolarHBondContact O-N 3.08Å; D56-R58 VanDerWaalsContact O-N 3.12Å; D56-R58 VanDerWaalsContact OD1-CB 3.27Å; D56-R58 WeakPolarHBondContact OD1-CB 3.3Å; D56-R58 WeakPolarHBondContact OD1-CG 3.27Å; D56-R58 PolarHBondContact OD1-N 3.45Å; D56-R58 IonicContact OD1-NE 3.88Å
59L96.4Very high97.1Very high15 Ų1540.4 Ų40.48%0.07920%0.2CC..G310 helixtrans-98.617.4179.1-57.2178.6000112.4K12 A14 I17 I53 D56 Q57 H61 L62 H63K12-L59 HydrophobicContact CB-CD1 4.01Å; K12-L59 HydrophobicContact CD-CD1 4.36Å; K12-L59 HydrophobicContact CG-CD1 4.41Å; A14-L59 HydrophobicContact CB-CD2 3.82Å; I17-L59 HydrophobicContact CD1-CD1 4.39Å; I53-L59 HydrophobicContact CG1-CD1 4.47Å; I53-L59 HydrophobicContact CG2-CB 4Å; I53-L59 HydrophobicContact CG2-CD1 3.89Å; D56-L59 HydrophobicContact CB-CB 4.42Å; D56-L59 HydrophobicContact CB-CD1 4.19Å; D56-L59 HydrophobicContact CB-CG 4.27Å; D56-L59 PolarHBondContact O-N 3.09Å; Q57-L59 PolarHBondContact O-N 3.07Å; L59-H61 PolarHBondContact O-N 3.01Å; L59-H61 VanDerWaalsContact O-N 3.11Å; L59-L62 HydrophobicContact CB-CD1 4.32Å; L59-L62 HydrophobicContact CD2-CD1 4.16Å; L59-L62 WeakPolarHBondContact O-CB 3.47Å; L59-L62 PolarHBondContact O-N 2.95Å; L59-H63 PolarHBondContact O-CD2 3.11Å; L59-H63 VanDerWaalsContact O-CD2 3.26Å
60S94.8Very high97.2Very high48 Ų4840 Ų4034%0.33620%0.197SC..G310 helixtrans-55-30.3-179.848.10000114.7Q57 L62 H63Q57-S60 VanDerWaalsContact O-CB 3.26Å; Q57-S60 WeakPolarHBondContact O-CB 3.39Å; Q57-S60 PolarHBondContact O-N 3.31Å; Q57-S60 PolarHBondContact O-OG 2.99Å; S60-L62 PolarHBondContact O-N 3.08Å; S60-H63 WeakPolarHBondContact O-CB 3.49Å; S60-H63 PolarHBondContact O-N 3.31Å; S60-H63 VanDerWaalsContact O-N 3.16Å
61H94.9Very high97.1Very high131 Ų13143 Ų4361%0.60621%0.208SC*.G310 helixtrans-65.3-17.7174.566.2-79.8000113.8L59L59-H61 PolarHBondContact O-N 3.01Å; L59-H61 VanDerWaalsContact O-N 3.11Å
62L96.9Very high97.1Very high3 Ų343.1 Ų43.12%0.01621%0.209CC..G310 helixtrans-96.6-8.7177.3-55.6176.8000112.7I17 P18 L59 S60 T64 Q65 C66I17-L62 HydrophobicContact CB-CD1 3.96Å; I17-L62 HydrophobicContact CD1-CD1 3.88Å; I17-L62 HydrophobicContact CG2-CD1 3.85Å; P18-L62 HydrophobicContact CG-CD2 3.73Å; L59-L62 HydrophobicContact CB-CD1 4.32Å; L59-L62 HydrophobicContact CD2-CD1 4.16Å; L59-L62 WeakPolarHBondContact O-CB 3.47Å; L59-L62 PolarHBondContact O-N 2.95Å; S60-L62 PolarHBondContact O-N 3.08Å; L62-T64 VanDerWaalsContact C-N 3.3Å; L62-T64 PolarHBondContact O-N 3.44Å; L62-Q65 PolarHBondContact O-N 3.43Å; L62-Q65 VanDerWaalsContact O-N 3.1Å; L62-C66 PolarHBondContact O-N 3.13Å; L62-C66 PolarHBondContact O-SG 3.27Å
63H97.9Very high97.1Very high5 Ų542.1 Ų42.12%0.02320%0.199CC..Hα-helixtrans-59-38.7-171.7-73.6-174.3000112.7I53 L54 D56 L59 S60 Q65 C66 L67 V131I53-H63 PolarHBondContact O-NE2 3.07Å; L54-H63 HydrophobicContact CD2-CB 3.99Å; L54-H63 PolarHBondContact O-CE1 3.36Å; L54-H63 PolarHBondContact O-NE2 3.29Å; L54-H63 VanDerWaalsContact O-NE2 3.12Å; D56-H63 PolarHBondContact O-NE2 2.91Å; L59-H63 PolarHBondContact O-CD2 3.11Å; L59-H63 VanDerWaalsContact O-CD2 3.26Å; S60-H63 WeakPolarHBondContact O-CB 3.49Å; S60-H63 PolarHBondContact O-N 3.31Å; S60-H63 VanDerWaalsContact O-N 3.16Å; H63-Q65 PolarHBondContact O-N 3.44Å; H63-C66 WeakPolarHBondContact O-CB 3.37Å; H63-C66 PolarHBondContact O-N 3.24Å; H63-L67 WeakPolarHBondContact O-CB 3.46Å; H63-L67 VanDerWaalsContact O-CG 3.24Å; H63-L67 WeakPolarHBondContact O-CG 3.34Å; H63-L67 PolarHBondContact O-N 3.03Å; H63-V131 HydrophobicContact CB-CG1 4.47Å; H63-V131 HydrophobicContact CB-CG2 4Å
64T97.3Very high97.1Very high34 Ų3442.1 Ų42.121%0.20920%0.199CC..Hα-helixtrans-59.9-45.9176.7-52.10000111.9L62 L67 N68 E134L62-T64 VanDerWaalsContact C-N 3.3Å; L62-T64 PolarHBondContact O-N 3.44Å; T64-L67 PolarHBondContact O-N 3.28Å; T64-N68 VanDerWaalsContact O-CG 3.31Å; T64-N68 PolarHBondContact O-N 3.3Å; T64-N68 PolarHBondContact O-OD1 2.52Å; T64-E134 HydrophobicContact CG2-CG 4.09Å
65Q97.3Very high97Very high53 Ų5345.1 Ų45.125%0.24821%0.21CC..Hα-helixtrans-67.6-38.7178.1-65.3-175.8-79.400112L21 N25 L62 H63 N68 T69L21-Q65 HydrophobicContact CB-CB 4.49Å; L21-Q65 HydrophobicContact CD1-CB 4.18Å; N25-Q65 PolarHBondContact ND2-O 2.99Å; L62-Q65 PolarHBondContact O-N 3.43Å; L62-Q65 VanDerWaalsContact O-N 3.1Å; H63-Q65 PolarHBondContact O-N 3.44Å; Q65-N68 PolarHBondContact O-N 3.33Å; Q65-T69 PolarHBondContact O-N 2.85Å; Q65-T69 PolarHBondContact O-OG1 3.32Å; Q65-T69 VanDerWaalsContact O-OG1 3.07Å
66C98.6Very high96.9Very high0 Ų040.2 Ų40.20%018%0.184CC..Hα-helixtrans-60-46172.1-71.80000111.1I50 I53 L54 L62 H63 N68 T69 V70I50-C66 HydrophobicContact CG2-CB 3.78Å; I53-C66 VanDerWaalsContact CG2-SG 3.53Å; L54-C66 HydrophobicContact CD2-CB 3.54Å; L54-C66 HydrophobicContact CG-CB 3.94Å; L62-C66 PolarHBondContact O-N 3.13Å; L62-C66 PolarHBondContact O-SG 3.27Å; H63-C66 WeakPolarHBondContact O-CB 3.37Å; H63-C66 PolarHBondContact O-N 3.24Å; C66-N68 VanDerWaalsContact C-N 3.34Å; C66-N68 PolarHBondContact O-N 3.06Å; C66-T69 WeakPolarHBondContact O-CA 3.39Å; C66-T69 WeakPolarHBondContact O-CB 3.37Å; C66-T69 PolarHBondContact O-N 3.05Å; C66-V70 WeakPolarHBondContact O-CG2 3.31Å; C66-V70 PolarHBondContact O-N 3.09Å
67L98.6Very high96.8Very high0 Ų043.3 Ų43.30%020%0.197CC..Hα-helixtrans-67.2-32.9179-70168.1000112.5L54 H63 T64 T69 V70 R71 L92 L95 V131 E134 A135 C138L54-L67 HydrophobicContact CD1-CD2 4.03Å; L54-L67 HydrophobicContact CD2-CD2 4.22Å; L54-L67 HydrophobicContact CD2-CG 4.01Å; H63-L67 WeakPolarHBondContact O-CB 3.46Å; H63-L67 VanDerWaalsContact O-CG 3.24Å; H63-L67 WeakPolarHBondContact O-CG 3.34Å; H63-L67 PolarHBondContact O-N 3.03Å; T64-L67 PolarHBondContact O-N 3.28Å; L67-T69 VanDerWaalsContact C-N 3.26Å; L67-T69 PolarHBondContact O-N 3.34Å; L67-V70 PolarHBondContact O-N 3.07Å; L67-R71 VanDerWaalsContact O-CB 3.3Å; L67-R71 WeakPolarHBondContact O-CB 3.44Å; L67-R71 PolarHBondContact O-N 3.24Å; L67-L92 HydrophobicContact CD2-CD2 3.44Å; L67-L92 VanDerWaalsContact CD2-CD2 3.44Å; L67-L95 HydrophobicContact CD2-CD1 4.12Å; L67-V131 HydrophobicContact CD1-CB 4.48Å; L67-V131 HydrophobicContact CD1-CG1 3.89Å; L67-V131 WeakPolarHBondContact CD1-O 3.16Å; L67-E134 HydrophobicContact CB-CB 3.63Å; L67-E134 HydrophobicContact CD1-CB 3.87Å; L67-E134 HydrophobicContact CG-CB 4.38Å; L67-A135 HydrophobicContact CD1-CB 4.21Å; L67-A135 HydrophobicContact CD2-CB 4.37Å; L67-C138 PolarHBondContact O-SG 3.17Å; L67-C138 VanDerWaalsContact O-SG 3.37Å
68N98.1Very high96.8Very high36 Ų3641.7 Ų41.719%0.19319%0.188CC..Hα-helixtrans-60.8-38.8170.2-64.4141.9000111.9T64 Q65 C66 R71 I72 E134T64-N68 VanDerWaalsContact O-CG 3.31Å; T64-N68 PolarHBondContact O-N 3.3Å; T64-N68 PolarHBondContact O-OD1 2.52Å; Q65-N68 PolarHBondContact O-N 3.33Å; C66-N68 VanDerWaalsContact C-N 3.34Å; C66-N68 PolarHBondContact O-N 3.06Å; N68-R71 WeakPolarHBondContact O-CB 3.31Å; N68-R71 PolarHBondContact O-N 2.83Å; N68-I72 PolarHBondContact O-N 3.43Å; N68-E134 PolarHBondContact ND2-OE2 2.93Å
69T98.3Very high96.8Very high0 Ų031.8 Ų31.80%015%0.151CC..Hα-helixtrans-64-50.6174.7-53.80000110.4L21 F24 N25 I50 Q65 C66 L67 R71 I72 L73L21-T69 HydrophobicContact CD2-CG2 4.49Å; F24-T69 HydrophobicContact CD1-CG2 3.72Å; F24-T69 HydrophobicContact CE1-CG2 3.6Å; F24-T69 HydrophobicContact CZ-CG2 4.36Å; N25-T69 VanDerWaalsContact OD1-CA 3.27Å; N25-T69 WeakPolarHBondContact OD1-CA 3.39Å; N25-T69 PolarHBondContact OD1-N 3.2Å; N25-T69 PolarHBondContact OD1-OG1 3.11Å; N25-T69 VanDerWaalsContact OD1-OG1 3.13Å; I50-T69 HydrophobicContact CD1-CG2 3.99Å; I50-T69 HydrophobicContact CG1-CG2 3.96Å; Q65-T69 PolarHBondContact O-N 2.85Å; Q65-T69 PolarHBondContact O-OG1 3.32Å; Q65-T69 VanDerWaalsContact O-OG1 3.07Å; C66-T69 WeakPolarHBondContact O-CA 3.39Å; C66-T69 WeakPolarHBondContact O-CB 3.37Å; C66-T69 PolarHBondContact O-N 3.05Å; L67-T69 VanDerWaalsContact C-N 3.26Å; L67-T69 PolarHBondContact O-N 3.34Å; T69-R71 VanDerWaalsContact C-N 3.27Å; T69-R71 PolarHBondContact O-N 3.23Å; T69-I72 WeakPolarHBondContact O-CB 3.37Å; T69-I72 PolarHBondContact O-N 2.86Å; T69-L73 HydrophobicContact CG2-CD1 4.37Å; T69-L73 WeakPolarHBondContact O-CG 3.46Å; T69-L73 PolarHBondContact O-N 3.38Å; T69-L73 VanDerWaalsContact O-N 3.08Å
70V98.4Very high96.7Very high0 Ų031.4 Ų31.40%015%0.149CC..Hα-helixtrans-56-42.3175.3175.70000110.9W47 I50 F51 L54 C66 L67 I72 L73 T74 L92 C138W47-V70 HydrophobicContact CH2-CG1 3.94Å; W47-V70 HydrophobicContact CZ3-CG1 3.84Å; I50-V70 HydrophobicContact CG2-CG2 3.59Å; F51-V70 HydrophobicContact CD2-CG2 4.46Å; F51-V70 HydrophobicContact CE2-CG1 4.03Å; F51-V70 HydrophobicContact CE2-CG2 3.79Å; F51-V70 HydrophobicContact CZ-CG1 3.97Å; F51-V70 HydrophobicContact CZ-CG2 4.11Å; L54-V70 HydrophobicContact CD1-CG2 4.05Å; C66-V70 WeakPolarHBondContact O-CG2 3.31Å; C66-V70 PolarHBondContact O-N 3.09Å; L67-V70 PolarHBondContact O-N 3.07Å; V70-I72 PolarHBondContact O-N 3.19Å; V70-L73 PolarHBondContact O-N 2.98Å; V70-L73 VanDerWaalsContact O-N 3.09Å; V70-T74 HydrophobicContact CG1-CG2 3.92Å; V70-T74 VanDerWaalsContact O-CG2 3.26Å; V70-T74 WeakPolarHBondContact O-CG2 3.49Å; V70-T74 PolarHBondContact O-N 2.72Å; V70-T74 PolarHBondContact O-OG1 3.42Å; V70-T74 VanDerWaalsContact O-OG1 3.05Å; V70-L92 HydrophobicContact CG1-CD1 4.4Å; V70-L92 HydrophobicContact CG1-CD2 4.45Å; V70-C138 HydrophobicContact CG1-CB 4.13Å
71R97.7Very high96.5Very high63 Ų6334.8 Ų34.824%0.23816%0.16CC..Hα-helixtrans-60.9-31.4178.6-172.6171.954.764.82.4113.1L67 N68 T69 T74 E134 K137 N141L67-R71 VanDerWaalsContact O-CB 3.3Å; L67-R71 WeakPolarHBondContact O-CB 3.44Å; L67-R71 PolarHBondContact O-N 3.24Å; N68-R71 WeakPolarHBondContact O-CB 3.31Å; N68-R71 PolarHBondContact O-N 2.83Å; T69-R71 VanDerWaalsContact C-N 3.27Å; T69-R71 PolarHBondContact O-N 3.23Å; R71-T74 WeakPolarHBondContact CA-OG1 3.27Å; R71-T74 PolarHBondContact O-OG1 3.38Å; R71-E134 IonicContact NE-OE2 3.97Å; R71-E134 PolarHBondContact NE-OE2 3.07Å; R71-K137 HydrophobicContact CG-CB 4.48Å; R71-N141 PolarHBondContact O-ND2 3.26Å; R71-N141 VanDerWaalsContact O-ND2 3.13Å
72I97.7Very high96.4Very high4 Ų432.3 Ų32.32%0.02115%0.154CC..Hα-helixtrans-72.7-48.9171.9-65.2166.9000109.7F24 N25 N28 L31 F34 N68 T69 V70 T74 R75F24-I72 HydrophobicContact CE1-CB 4.4Å; F24-I72 HydrophobicContact CE1-CD1 4.15Å; F24-I72 HydrophobicContact CE1-CG2 4.35Å; N25-I72 HydrophobicContact CB-CD1 4.45Å; N28-I72 HydrophobicContact CB-CD1 4.39Å; N28-I72 HydrophobicContact CB-CG2 4.13Å; L31-I72 HydrophobicContact CB-CG2 4.47Å; F34-I72 HydrophobicContact CE1-CG2 4.36Å; F34-I72 HydrophobicContact CZ-CG2 4.32Å; F34-I72 VanDerWaalsContact CZ-O 3.3Å; F34-I72 WeakPolarHBondContact CZ-O 3.39Å; N68-I72 PolarHBondContact O-N 3.43Å; T69-I72 WeakPolarHBondContact O-CB 3.37Å; T69-I72 PolarHBondContact O-N 2.86Å; V70-I72 PolarHBondContact O-N 3.19Å; I72-T74 VanDerWaalsContact C-N 3.3Å; I72-T74 PolarHBondContact O-N 3.41Å; I72-R75 VanDerWaalsContact O-CB 3.32Å; I72-R75 WeakPolarHBondContact O-CB 3.42Å; I72-R75 WeakPolarHBondContact O-CG 3.36Å; I72-R75 PolarHBondContact O-N 3.44Å; I72-R75 VanDerWaalsContact O-N 3.11Å
73L97.5Very high96.2Very high0 Ų033.9 Ų33.90%016%0.162CC..Hα-helixtrans-61.8-35.4-177.8-63.2177.4000113.3F24 W43 L46 W47 T69 V70 R75 D76F24-L73 HydrophobicContact CZ-CD2 4.16Å; W43-L73 HydrophobicContact CZ2-CB 4.26Å; W43-L73 PolarHBondContact NE1-O 3.28Å; L46-L73 HydrophobicContact CD2-CD1 4.23Å; L46-L73 HydrophobicContact CD2-CD2 4.16Å; L46-L73 HydrophobicContact CG-CD1 4.09Å; W47-L73 HydrophobicContact CE3-CB 3.9Å; W47-L73 HydrophobicContact CE3-CD1 4Å; W47-L73 HydrophobicContact CZ3-CB 4.01Å; T69-L73 HydrophobicContact CG2-CD1 4.37Å; T69-L73 WeakPolarHBondContact O-CG 3.46Å; T69-L73 PolarHBondContact O-N 3.38Å; T69-L73 VanDerWaalsContact O-N 3.08Å; V70-L73 PolarHBondContact O-N 2.98Å; V70-L73 VanDerWaalsContact O-N 3.09Å; L73-R75 PolarHBondContact O-N 2.82Å; L73-R75 VanDerWaalsContact O-N 3.09Å; L73-D76 PolarHBondContact O-N 3.16Å; L73-D76 VanDerWaalsContact O-N 3.13Å
74T96.8Very high96Very high0 Ų041.9 Ų41.90%019%0.193CC..THydrogen-bonded Turntrans-65.9-4.7176.551.70000114.6W47 V70 R71 I72 D76 L80 N141 L142W47-T74 HydrophobicContact CH2-CG2 3.8Å; W47-T74 HydrophobicContact CZ3-CG2 3.85Å; V70-T74 HydrophobicContact CG1-CG2 3.92Å; V70-T74 VanDerWaalsContact O-CG2 3.26Å; V70-T74 WeakPolarHBondContact O-CG2 3.49Å; V70-T74 PolarHBondContact O-N 2.72Å; V70-T74 PolarHBondContact O-OG1 3.42Å; V70-T74 VanDerWaalsContact O-OG1 3.05Å; R71-T74 WeakPolarHBondContact CA-OG1 3.27Å; R71-T74 PolarHBondContact O-OG1 3.38Å; I72-T74 VanDerWaalsContact C-N 3.3Å; I72-T74 PolarHBondContact O-N 3.41Å; T74-D76 VanDerWaalsContact C-N 3.34Å; T74-L80 WeakPolarHBondContact O-CD1 3.47Å; T74-N141 WeakPolarHBondContact OG1-CB 3.24Å; T74-N141 PolarHBondContact OG1-ND2 2.92Å; T74-L142 HydrophobicContact CG2-CD1 4.29Å; T74-L142 HydrophobicContact CG2-CD2 3.66Å; T74-L142 HydrophobicContact CG2-CG 3.72Å
75R96.1Very high95.9Very high68 Ų6840.7 Ų40.726%0.25719%0.186SC..THydrogen-bonded Turntrans-79.8-16.9172-60.7171.8-179.6168.1-2.5112.7A29 L31 F34 I72 L73 E77A29-R75 PolarHBondContact O-NH1 2.98Å; A29-R75 PolarHBondContact O-NH2 3.1Å; A29-R75 VanDerWaalsContact O-NH2 3.07Å; L31-R75 PolarHBondContact O-NH1 3.46Å; F34-R75 HydrophobicContact CE2-CB 4.02Å; F34-R75 HydrophobicContact CZ-CB 4.02Å; I72-R75 VanDerWaalsContact O-CB 3.32Å; I72-R75 WeakPolarHBondContact O-CB 3.42Å; I72-R75 WeakPolarHBondContact O-CG 3.36Å; I72-R75 PolarHBondContact O-N 3.44Å; I72-R75 VanDerWaalsContact O-N 3.11Å; L73-R75 PolarHBondContact O-N 2.82Å; L73-R75 VanDerWaalsContact O-N 3.09Å; R75-E77 PolarHBondContact O-N 3.32Å
76D95.6Very high95.7Very high4 Ų440.3 Ų40.32%0.02118%0.184CC..  trans-86.991.6-178.5-170.216000112.3F34 R38 L73 T74 F78 S79 L80F34-D76 HydrophobicContact CB-CB 4.02Å; F34-D76 VanDerWaalsContact CB-CG 3.5Å; F34-D76 VanDerWaalsContact CB-OD2 3.29Å; F34-D76 WeakPolarHBondContact CB-OD2 3.4Å; F34-D76 HydrophobicContact CD1-CB 3.92Å; F34-D76 HydrophobicContact CD2-CB 3.6Å; F34-D76 HydrophobicContact CE1-CB 4.26Å; F34-D76 HydrophobicContact CE2-CB 3.98Å; F34-D76 HydrophobicContact CG-CB 3.57Å; F34-D76 HydrophobicContact CZ-CB 4.31Å; R38-D76 IonicContact CZ-OD1 3.6Å; R38-D76 IonicContact NE-OD1 3.72Å; R38-D76 PolarHBondContact NE-OD1 2.72Å; R38-D76 IonicContact NE-OD2 3.35Å; R38-D76 PolarHBondContact NE-OD2 3.34Å; R38-D76 IonicContact NH2-OD1 3.24Å; R38-D76 PolarHBondContact NH2-OD1 2.8Å; R38-D76 IonicContact NH2-OD2 3.36Å; L73-D76 PolarHBondContact O-N 3.16Å; L73-D76 VanDerWaalsContact O-N 3.13Å; T74-D76 VanDerWaalsContact C-N 3.34Å; D76-F78 VanDerWaalsContact C-N 3.26Å; D76-F78 PolarHBondContact O-N 3.23Å; D76-F78 PolarHBondContact OD1-N 3.12Å; D76-S79 PolarHBondContact O-N 3.11Å; D76-S79 WeakPolarHBondContact OD2-CB 3.32Å; D76-S79 PolarHBondContact OD2-OG 2.96Å; D76-L80 VanDerWaalsContact O-CG 3.31Å; D76-L80 WeakPolarHBondContact O-CG 3.26Å; D76-L80 PolarHBondContact O-N 3.25Å
77E94.4Very high95.5Very high93 Ų9347 Ų4744%0.43522%0.215SC..Hα-helixtrans-53.1-42.6177.7-175.2-172.2179.600112.6R75 S79 L80 Q81R75-E77 PolarHBondContact O-N 3.32Å; E77-S79 PolarHBondContact O-N 3.33Å; E77-L80 PolarHBondContact O-N 3.38Å; E77-Q81 HydrophobicContact CG-CG 4.46Å; E77-Q81 WeakPolarHBondContact O-CG 3.3Å; E77-Q81 PolarHBondContact O-N 3.26Å; E77-Q81 PolarHBondContact OE1-NE2 2.81Å
78F93.8Very high95.4Very high107 Ų10748 Ų4847%0.46922%0.22SC..Hα-helixtrans-60.8-51.2-176.7-179.6-92.6000111.2R38 D76 L80 Q81 T82R38-F78 HydrophobicContact CG-CD1 4.13Å; D76-F78 VanDerWaalsContact C-N 3.26Å; D76-F78 PolarHBondContact O-N 3.23Å; D76-F78 PolarHBondContact OD1-N 3.12Å; F78-L80 VanDerWaalsContact C-N 3.28Å; F78-L80 PolarHBondContact O-N 3.36Å; F78-Q81 PolarHBondContact O-N 2.95Å; F78-Q81 VanDerWaalsContact O-N 3.1Å; F78-T82 HydrophobicContact CD1-CG2 4.13Å; F78-T82 HydrophobicContact CE1-CG2 3.74Å; F78-T82 HydrophobicContact CE2-CG2 4.24Å; F78-T82 HydrophobicContact CZ-CG2 3.8Å; F78-T82 WeakPolarHBondContact O-CG2 3.37Å; F78-T82 PolarHBondContact O-N 3.12Å; F78-T82 PolarHBondContact O-OG1 2.81Å
79S94.8Very high95.3Very high4 Ų446.2 Ų46.23%0.02821%0.21CC..Hα-helixtrans-65.5-32.9-179.4-64.90000112.5W43 D76 E77 Q81 T82 N83W43-S79 VanDerWaalsContact CE2-CB 3.44Å; D76-S79 PolarHBondContact O-N 3.11Å; D76-S79 WeakPolarHBondContact OD2-CB 3.32Å; D76-S79 PolarHBondContact OD2-OG 2.96Å; E77-S79 PolarHBondContact O-N 3.33Å; S79-Q81 VanDerWaalsContact C-N 3.3Å; S79-Q81 PolarHBondContact O-N 3.26Å; S79-T82 WeakPolarHBondContact CA-OG1 3.39Å; S79-T82 PolarHBondContact O-N 3.13Å; S79-T82 PolarHBondContact O-OG1 3.05Å; S79-N83 WeakPolarHBondContact O-CB 3.26Å; S79-N83 PolarHBondContact O-N 2.84Å; S79-N83 VanDerWaalsContact O-N 3.13Å; S79-N83 PolarHBondContact O-ND2 3.33Å
80L94.3Very high95.1Very high6 Ų648.9 Ų48.93%0.03122%0.224CC..Hα-helixtrans-67.9-28.5174.4-66.6174.9000113W43 W47 T74 D76 E77 F78 I85 L142 Q145W43-L80 HydrophobicContact CH2-CD2 3.93Å; W43-L80 HydrophobicContact CZ2-CD2 3.92Å; W43-L80 HydrophobicContact CZ2-CG 4.41Å; W47-L80 HydrophobicContact CH2-CD2 4.4Å; T74-L80 WeakPolarHBondContact O-CD1 3.47Å; D76-L80 VanDerWaalsContact O-CG 3.31Å; D76-L80 WeakPolarHBondContact O-CG 3.26Å; D76-L80 PolarHBondContact O-N 3.25Å; E77-L80 PolarHBondContact O-N 3.38Å; F78-L80 VanDerWaalsContact C-N 3.28Å; F78-L80 PolarHBondContact O-N 3.36Å; L80-I85 HydrophobicContact CD2-CD1 3.6Å; L80-L142 HydrophobicContact CD1-CD2 3.94Å; L80-L142 HydrophobicContact CD2-CD2 3.5Å; L80-L142 VanDerWaalsContact CD2-CD2 3.5Å; L80-L142 HydrophobicContact CG-CD2 4.38Å; L80-Q145 HydrophobicContact CD1-CB 3.83Å; L80-Q145 HydrophobicContact CD1-CG 4.32Å
81Q91.6Very high95Very high120 Ų12049.8 Ų49.856%0.56123%0.23SC*.Hα-helixtrans-84.5-28.9177-71.41762.700112.8E77 F78 S79E77-Q81 HydrophobicContact CG-CG 4.46Å; E77-Q81 WeakPolarHBondContact O-CG 3.3Å; E77-Q81 PolarHBondContact O-N 3.26Å; E77-Q81 PolarHBondContact OE1-NE2 2.81Å; F78-Q81 PolarHBondContact O-N 2.95Å; F78-Q81 VanDerWaalsContact O-N 3.1Å; S79-Q81 VanDerWaalsContact C-N 3.3Å; S79-Q81 PolarHBondContact O-N 3.26Å
82T92.7Very high95Very high79 Ų7946.8 Ų46.849%0.48522%0.219SC..Hα-helixtrans-84.6-25.4-179.755.40000113.6F78 S79F78-T82 HydrophobicContact CD1-CG2 4.13Å; F78-T82 HydrophobicContact CE1-CG2 3.74Å; F78-T82 HydrophobicContact CE2-CG2 4.24Å; F78-T82 HydrophobicContact CZ-CG2 3.8Å; F78-T82 WeakPolarHBondContact O-CG2 3.37Å; F78-T82 PolarHBondContact O-N 3.12Å; F78-T82 PolarHBondContact O-OG1 2.81Å; S79-T82 WeakPolarHBondContact CA-OG1 3.39Å; S79-T82 PolarHBondContact O-N 3.13Å; S79-T82 PolarHBondContact O-OG1 3.05Å
83N93.1Very high94.9Very high35 Ų3546.8 Ų46.819%0.18722%0.219CC..SBendtrans-106.9138.2-176.2-62.8-73.3000111.2W43 H44 S79 I85W43-N83 HydrophobicContact CZ3-CB 4.17Å; H44-N83 PolarHBondContact ND1-OD1 3.37Å; S79-N83 WeakPolarHBondContact O-CB 3.26Å; S79-N83 PolarHBondContact O-N 2.84Å; S79-N83 VanDerWaalsContact O-N 3.13Å; S79-N83 PolarHBondContact O-ND2 3.33Å; N83-I85 HydrophobicContact CB-CG2 4.19Å; N83-I85 PolarHBondContact O-N 3.3Å
84Y92.9Very high94.7Very high174 Ų17453 Ų5368%0.68225%0.246SC*.  trans-83.3111.1173.7178.6-105.8000109.9E86Y84-E86 HydrophobicContact CE1-CB 3.94Å; Y84-E86 HydrophobicContact CE2-CB 3.83Å; Y84-E86 VanDerWaalsContact CZ-CB 3.49Å; Y84-E86 PolarHBondContact OH-OE2 3.06Å
85I94.9Very high94.7Very high9 Ų954.4 Ų54.45%0.04625%0.253CS..  trans-117.225.2-170.160.7163.7000114.3W47 L80 N83 Q87 E88 V89 L142W47-I85 HydrophobicContact CZ2-CB 4.29Å; W47-I85 HydrophobicContact CZ2-CD1 4.17Å; W47-I85 HydrophobicContact CZ2-CG2 4.19Å; L80-I85 HydrophobicContact CD2-CD1 3.6Å; N83-I85 HydrophobicContact CB-CG2 4.19Å; N83-I85 PolarHBondContact O-N 3.3Å; I85-Q87 VanDerWaalsContact C-N 3.3Å; I85-Q87 PolarHBondContact O-N 3.25Å; I85-E88 VanDerWaalsContact C-OE2 3.23Å; I85-E88 WeakPolarHBondContact CA-OE2 3.43Å; I85-E88 PolarHBondContact O-N 3.49Å; I85-V89 HydrophobicContact CD1-CG2 4.14Å; I85-V89 HydrophobicContact CG1-CG2 4.22Å; I85-V89 VanDerWaalsContact O-CG2 3.31Å; I85-V89 WeakPolarHBondContact O-CG2 3.46Å; I85-V89 PolarHBondContact O-N 3.03Å; I85-L142 HydrophobicContact CD1-CD2 3.78Å
86E93.7Very high94.6Very high44 Ų4451.1 Ų51.121%0.20624%0.241CC..Hα-helixtrans-62-36.5-173.5174.2150.7-152.200112.3Y84 N90 Q152 R155Y84-E86 HydrophobicContact CE1-CB 3.94Å; Y84-E86 HydrophobicContact CE2-CB 3.83Å; Y84-E86 VanDerWaalsContact CZ-CB 3.49Å; Y84-E86 PolarHBondContact OH-OE2 3.06Å; E86-N90 VanDerWaalsContact O-CG 3.32Å; E86-N90 PolarHBondContact O-N 2.8Å; E86-N90 PolarHBondContact O-ND2 2.93Å; E86-N90 VanDerWaalsContact O-ND2 3.15Å; E86-Q152 PolarHBondContact O-NE2 3.45Å; E86-R155 IonicContact OE1-CZ 2.8Å; E86-R155 IonicContact OE1-NH1 3.47Å; E86-R155 PolarHBondContact OE1-NH1 3.49Å; E86-R155 IonicContact OE1-NH2 3.28Å; E86-R155 PolarHBondContact OE1-NH2 3.25Å
87Q94.8Very high94.4Very high141 Ų14156 Ų5666%0.65926%0.259SS*.Hα-helixtrans-67.7-43179-66.2-175.1-2.200111.3I85 V89 N90 T91I85-Q87 VanDerWaalsContact C-N 3.3Å; I85-Q87 PolarHBondContact O-N 3.25Å; Q87-V89 PolarHBondContact O-N 2.97Å; Q87-N90 WeakPolarHBondContact O-CA 3.27Å; Q87-N90 WeakPolarHBondContact O-CB 3.26Å; Q87-N90 PolarHBondContact O-N 3.15Å; Q87-T91 PolarHBondContact O-N 2.94Å
88E96.7Very high94.1Very high20 Ų2051.6 Ų51.69%0.09324%0.239CC..Hα-helixtrans-68.9-36-177.9-66.881.3-159.800112W47 F51 I85 N90 T91 L92W47-E88 HydrophobicContact CZ2-CB 3.92Å; W47-E88 VanDerWaalsContact NE1-CG 3.32Å; F51-E88 HydrophobicContact CB-CG 3.79Å; F51-E88 HydrophobicContact CD1-CB 3.61Å; F51-E88 HydrophobicContact CD1-CG 3.56Å; F51-E88 HydrophobicContact CD2-CB 3.84Å; F51-E88 HydrophobicContact CD2-CG 3.48Å; F51-E88 VanDerWaalsContact CD2-CG 3.48Å; F51-E88 HydrophobicContact CE1-CB 3.49Å; F51-E88 VanDerWaalsContact CE1-CB 3.49Å; F51-E88 HydrophobicContact CE1-CG 4Å; F51-E88 VanDerWaalsContact CE1-O 3.26Å; F51-E88 WeakPolarHBondContact CE1-O 3.23Å; F51-E88 HydrophobicContact CE2-CB 3.75Å; F51-E88 HydrophobicContact CE2-CG 3.95Å; F51-E88 HydrophobicContact CG-CB 3.78Å; F51-E88 HydrophobicContact CG-CG 3.29Å; F51-E88 HydrophobicContact CZ-CB 3.58Å; F51-E88 HydrophobicContact CZ-CG 4.18Å; I85-E88 VanDerWaalsContact C-OE2 3.23Å; I85-E88 WeakPolarHBondContact CA-OE2 3.43Å; I85-E88 PolarHBondContact O-N 3.49Å; E88-N90 VanDerWaalsContact C-N 3.3Å; E88-N90 PolarHBondContact O-N 3.06Å; E88-T91 PolarHBondContact O-N 3.23Å; E88-L92 WeakPolarHBondContact O-CG 3.38Å; E88-L92 PolarHBondContact O-N 3.48Å
89V95.7Very high93.1Very high0 Ų051.4 Ų51.40%024%0.239CC..Hα-helixtrans-60.6-40.71701740000110.8I85 Q87 L92 L93 L142 Q152I85-V89 HydrophobicContact CD1-CG2 4.14Å; I85-V89 HydrophobicContact CG1-CG2 4.22Å; I85-V89 VanDerWaalsContact O-CG2 3.31Å; I85-V89 WeakPolarHBondContact O-CG2 3.46Å; I85-V89 PolarHBondContact O-N 3.03Å; Q87-V89 PolarHBondContact O-N 2.97Å; V89-L92 PolarHBondContact O-N 3.27Å; V89-L93 HydrophobicContact CG1-CD1 4.11Å; V89-L93 HydrophobicContact CG1-CG 4.44Å; V89-L93 WeakPolarHBondContact O-CB 3.41Å; V89-L93 VanDerWaalsContact O-CG 3.29Å; V89-L93 WeakPolarHBondContact O-CG 3.4Å; V89-L93 PolarHBondContact O-N 3.47Å; V89-L142 HydrophobicContact CG2-CD1 4.17Å; V89-Q152 VanDerWaalsContact CG1-CD 3.46Å; V89-Q152 HydrophobicContact CG1-CG 4.06Å
90N94.8Very high91.5Very high55 Ų5553.4 Ų53.429%0.29426%0.256SS..Hα-helixtrans-66.4-38.7176.1-64.7-32.5000111.9E86 Q87 E88 L93 K94 Q152 Q156E86-N90 VanDerWaalsContact O-CG 3.32Å; E86-N90 PolarHBondContact O-N 2.8Å; E86-N90 PolarHBondContact O-ND2 2.93Å; E86-N90 VanDerWaalsContact O-ND2 3.15Å; Q87-N90 WeakPolarHBondContact O-CA 3.27Å; Q87-N90 WeakPolarHBondContact O-CB 3.26Å; Q87-N90 PolarHBondContact O-N 3.15Å; E88-N90 VanDerWaalsContact C-N 3.3Å; E88-N90 PolarHBondContact O-N 3.06Å; N90-L93 PolarHBondContact O-N 2.88Å; N90-K94 WeakPolarHBondContact O-CB 3.46Å; N90-K94 PolarHBondContact O-N 2.96Å; N90-Q152 PolarHBondContact OD1-NE2 3.49Å; N90-Q156 PolarHBondContact OD1-NE2 3.34Å
91T96.1Very high89.6Confident20 Ų2057 Ų5712%0.12330%0.295CS..Hα-helixtrans-60.3-44.7172.6-64.90000111.1F51 L54 D55 Q87 E88 K94 L95F51-T91 HydrophobicContact CD1-CG2 3.99Å; F51-T91 HydrophobicContact CE1-CG2 4.16Å; L54-T91 HydrophobicContact CB-CG2 4.22Å; D55-T91 VanDerWaalsContact OD1-CG2 3.23Å; D55-T91 WeakPolarHBondContact OD1-CG2 3.49Å; D55-T91 PolarHBondContact OD1-OG1 3.48Å; Q87-T91 PolarHBondContact O-N 2.94Å; E88-T91 PolarHBondContact O-N 3.23Å; T91-K94 PolarHBondContact O-N 3.22Å; T91-L95 HydrophobicContact CG2-CD1 4.01Å; T91-L95 HydrophobicContact CG2-CG 4.42Å; T91-L95 VanDerWaalsContact O-CG 3.32Å; T91-L95 WeakPolarHBondContact O-CG 3.37Å; T91-L95 PolarHBondContact O-N 3.45Å
92L97.5Very high87.8Confident0 Ų054.9 Ų54.90%029%0.293CS..Hα-helixtrans-63.7-42.2176.2-71.2175.4000112.8F51 L67 V70 E88 V89 K94 L95 A96 C138 L139 L142F51-L92 HydrophobicContact CE1-CD2 4.24Å; F51-L92 HydrophobicContact CE1-CG 3.91Å; F51-L92 HydrophobicContact CZ-CD1 4.03Å; F51-L92 HydrophobicContact CZ-CD2 4.14Å; F51-L92 HydrophobicContact CZ-CG 3.86Å; L67-L92 HydrophobicContact CD2-CD2 3.44Å; L67-L92 VanDerWaalsContact CD2-CD2 3.44Å; V70-L92 HydrophobicContact CG1-CD1 4.4Å; V70-L92 HydrophobicContact CG1-CD2 4.45Å; E88-L92 WeakPolarHBondContact O-CG 3.38Å; E88-L92 PolarHBondContact O-N 3.48Å; V89-L92 PolarHBondContact O-N 3.27Å; L92-K94 VanDerWaalsContact C-N 3.32Å; L92-K94 PolarHBondContact O-N 3.36Å; L92-L95 PolarHBondContact O-N 2.87Å; L92-A96 VanDerWaalsContact O-CB 3.26Å; L92-A96 WeakPolarHBondContact O-CB 3.49Å; L92-A96 PolarHBondContact O-N 3.32Å; L92-C138 HydrophobicContact CD1-CB 3.9Å; L92-C138 HydrophobicContact CD2-CB 3.98Å; L92-L139 HydrophobicContact CB-CD2 3.82Å; L92-L139 HydrophobicContact CB-CG 4.07Å; L92-L139 HydrophobicContact CD1-CD2 4.44Å; L92-L142 HydrophobicContact CD1-CD1 3.34Å
93L95.3Very high86.2Confident4 Ų453.8 Ų53.82%0.02128%0.284CS..Hα-helixtrans-59.2-44.5175.5-75.2170.6000111.1V89 N90 A96 R97 I98 L139 Q156V89-L93 HydrophobicContact CG1-CD1 4.11Å; V89-L93 HydrophobicContact CG1-CG 4.44Å; V89-L93 WeakPolarHBondContact O-CB 3.41Å; V89-L93 VanDerWaalsContact O-CG 3.29Å; V89-L93 WeakPolarHBondContact O-CG 3.4Å; V89-L93 PolarHBondContact O-N 3.47Å; N90-L93 PolarHBondContact O-N 2.88Å; L93-A96 CarbonylContact O-C 3.39Å; L93-A96 PolarHBondContact O-N 2.99Å; L93-R97 PolarHBondContact O-N 3.4Å; L93-I98 WeakPolarHBondContact CB-O 3.5Å; L93-I98 HydrophobicContact CD2-CB 4.04Å; L93-I98 HydrophobicContact CD2-CG2 3.81Å; L93-I98 PolarHBondContact O-N 2.64Å; L93-L139 HydrophobicContact CD2-CD1 4Å; L93-L139 HydrophobicContact CD2-CD2 4.08Å; L93-L139 HydrophobicContact CG-CD2 4.16Å; L93-Q156 HydrophobicContact CD1-CB 3.79Å; L93-Q156 HydrophobicContact CD1-CG 3.92Å
94K94.2Very high85.2Confident130 Ų13061.4 Ų61.457%0.56532%0.315SS*.Hα-helixtrans-62.4-46.8174.8-179.8176.1-178-1730112.7N90 T91 L92 A96 R97 E99N90-K94 WeakPolarHBondContact O-CB 3.46Å; N90-K94 PolarHBondContact O-N 2.96Å; T91-K94 PolarHBondContact O-N 3.22Å; L92-K94 VanDerWaalsContact C-N 3.32Å; L92-K94 PolarHBondContact O-N 3.36Å; K94-A96 VanDerWaalsContact C-N 3.25Å; K94-A96 PolarHBondContact O-N 3.18Å; K94-R97 WeakPolarHBondContact O-CA 3.32Å; K94-R97 PolarHBondContact O-N 2.64Å; K94-E99 HydrophobicContact CB-CG 4.29Å; K94-E99 HydrophobicContact CG-CG 4.44Å; K94-E99 WeakPolarHBondContact CG-OE1 3.34Å
95L95.5Very high84.6Confident29 Ų2954.2 Ų54.215%0.15229%0.289CS..Hα-helixtrans-63.1-33.4176.7-70.2172.7000112.1L54 L67 T91 L92 R97 V131 I132 A135L54-L95 HydrophobicContact CB-CD1 4.3Å; L54-L95 HydrophobicContact CD1-CD1 4.35Å; L54-L95 HydrophobicContact CD2-CD1 4Å; L54-L95 HydrophobicContact CG-CD1 4.45Å; L67-L95 HydrophobicContact CD2-CD1 4.12Å; T91-L95 HydrophobicContact CG2-CD1 4.01Å; T91-L95 HydrophobicContact CG2-CG 4.42Å; T91-L95 VanDerWaalsContact O-CG 3.32Å; T91-L95 WeakPolarHBondContact O-CG 3.37Å; T91-L95 PolarHBondContact O-N 3.45Å; L92-L95 PolarHBondContact O-N 2.87Å; L95-R97 PolarHBondContact O-N 2.91Å; L95-V131 HydrophobicContact CB-CG1 4.33Å; L95-V131 HydrophobicContact CD2-CG1 4.05Å; L95-I132 WeakPolarHBondContact O-CG1 3.44Å; L95-A135 HydrophobicContact CB-CB 3.87Å
96A94.4Very high84.1Confident0 Ų054.4 Ų54.40%029%0.29CS..THydrogen-bonded Turntrans-76.8-0.7172.800000113.6L92 L93 K94 I98 A135 L136 L139 R165L92-A96 VanDerWaalsContact O-CB 3.26Å; L92-A96 WeakPolarHBondContact O-CB 3.49Å; L92-A96 PolarHBondContact O-N 3.32Å; L93-A96 CarbonylContact O-C 3.39Å; L93-A96 PolarHBondContact O-N 2.99Å; K94-A96 VanDerWaalsContact C-N 3.25Å; K94-A96 PolarHBondContact O-N 3.18Å; A96-I98 VanDerWaalsContact C-N 3.25Å; A96-I98 HydrophobicContact CB-CD1 4.02Å; A96-I98 HydrophobicContact CB-CG1 4.02Å; A96-I98 PolarHBondContact O-N 3.18Å; A96-A135 HydrophobicContact CB-CB 3.94Å; A96-L136 HydrophobicContact CB-CD2 3.96Å; A96-L136 HydrophobicContact CB-CG 4.14Å; A96-L139 HydrophobicContact CB-CD1 3.73Å; A96-R165 PolarHBondContact O-NH1 2.81Å
97R91Very high83.5Confident105 Ų10555 Ų5540%0.39630%0.302SS..THydrogen-bonded Turntrans54.638.1-172.5-59.2-172.6179.1-175.32.7113.4L93 K94 L95 I132L93-R97 PolarHBondContact O-N 3.4Å; K94-R97 WeakPolarHBondContact O-CA 3.32Å; K94-R97 PolarHBondContact O-N 2.64Å; L95-R97 PolarHBondContact O-N 2.91Å; R97-I132 HydrophobicContact CG-CD1 4.05Å; R97-I132 HydrophobicContact CG-CG1 4.17Å
98I88Confident83.1Confident2 Ų250.8 Ų50.81%0.0129%0.286CS..  trans-110.177.2175.2-58.7178.6000107L93 A96 L136 L139 C158 A161 I162 L183L93-I98 WeakPolarHBondContact CB-O 3.5Å; L93-I98 HydrophobicContact CD2-CB 4.04Å; L93-I98 HydrophobicContact CD2-CG2 3.81Å; L93-I98 PolarHBondContact O-N 2.64Å; A96-I98 VanDerWaalsContact C-N 3.25Å; A96-I98 HydrophobicContact CB-CD1 4.02Å; A96-I98 HydrophobicContact CB-CG1 4.02Å; A96-I98 PolarHBondContact O-N 3.18Å; I98-L136 HydrophobicContact CD1-CD2 3.68Å; I98-L139 HydrophobicContact CD1-CD1 4.28Å; I98-C158 HydrophobicContact CG2-CB 3.92Å; I98-A161 HydrophobicContact CB-CB 4.42Å; I98-A161 HydrophobicContact CG2-CB 3.82Å; I98-I162 HydrophobicContact CD1-CD1 4.1Å; I98-I162 HydrophobicContact CD1-CG1 3.85Å; I98-I162 HydrophobicContact CG1-CG1 4.4Å; I98-L183 HydrophobicContact CD1-CD2 4.05Å
99E73.8Confident82.5Confident102 Ų10250.3 Ų50.348%0.47729%0.285SS..  trans-113.3134.4-178.4-68.1-176.3105.700111.3K94 G101 S102K94-E99 HydrophobicContact CB-CG 4.29Å; K94-E99 HydrophobicContact CG-CG 4.44Å; K94-E99 WeakPolarHBondContact CG-OE1 3.34Å; E99-G101 PolarHBondContact O-N 3.18Å; E99-G101 VanDerWaalsContact O-N 3.08Å; E99-S102 PolarHBondContact O-N 3.05Å
100A59.6Low82.1Confident47 Ų4755.8 Ų55.839%0.38831%0.314SS..THydrogen-bonded Turntrans-58.7-22.6-177.800000114.8S102 H157A100-S102 VanDerWaalsContact C-N 3.34Å; A100-S102 PolarHBondContact O-N 3.48Å; A100-H157 HydrophobicContact CB-CB 4.41Å
101G55.8Low81.7Confident82 Ų8257.2 Ų57.285%0.84532%0.319SS*.THydrogen-bonded Turntrans-77.6-14.2-173.800000114.9E99E99-G101 PolarHBondContact O-N 3.18Å; E99-G101 VanDerWaalsContact O-N 3.08Å
102S53.6Low81.2Confident74 Ų7456.3 Ų56.352%0.51731%0.314SS..SBendtrans-102.4106.5177.8-1170000110.4E99 A100E99-S102 PolarHBondContact O-N 3.05Å; A100-S102 VanDerWaalsContact C-N 3.34Å; A100-S102 PolarHBondContact O-N 3.48Å
103L58.9Low80.7Confident56 Ų5658.7 Ų58.729%0.29332%0.324SS..  trans86.3119.2156.7-72.895.5000119.8L105 K164L103-L105 PolarHBondContact O-N 3.18Å; L103-K164 HydrophobicContact CB-CD 3.73Å; L103-K164 HydrophobicContact CD1-CD 3.62Å; L103-K164 HydrophobicContact CD2-CD 3.59Å; L103-K164 VanDerWaalsContact CD2-CE 3.49Å; L103-K164 HydrophobicContact CG-CD 3.74Å; L103-K164 VanDerWaalsContact CG-NZ 3.28Å
104K72.1Confident80.2Confident195 Ų19564 Ų6485%0.84835%0.349SS*.  trans-56.7113.9136.5-68.6-178.3178-179.30106.7P106K104-P106 WeakPolarHBondContact O-CD 3.5Å
105L80.5Confident79.7Confident24 Ų2461.9 Ų61.913%0.12634%0.341CS..  trans-57.2128.9165-173.369.7000107.5L103 L163 K164 L202 Y207L103-L105 PolarHBondContact O-N 3.18Å; L105-L163 HydrophobicContact CD2-CB 4.27Å; L105-L163 HydrophobicContact CD2-CD2 3.39Å; L105-L163 HydrophobicContact CD2-CG 3.85Å; L105-K164 HydrophobicContact CD1-CB 3.77Å; L105-K164 HydrophobicContact CD1-CG 4.28Å; L105-L202 HydrophobicContact CD2-CB 4.38Å; L105-Y207 HydrophobicContact CD1-CE1 4.27Å; L105-Y207 HydrophobicContact CD1-CE2 4.37Å; L105-Y207 HydrophobicContact CD2-CD2 3.94Å; L105-Y207 HydrophobicContact CD2-CE2 3.51Å; L105-Y207 HydrophobicContact CG-CE2 3.84Å
106P84.6Confident79.2Confident13 Ų1361.5 Ų61.58%0.08434%0.338CS..  trans-57.9164.6175.4-28.739.4000111.9K104 T108 E111 L112 E115 Y207K104-P106 WeakPolarHBondContact O-CD 3.5Å; P106-T108 PolarHBondContact O-N 3.29Å; P106-E111 HydrophobicContact CB-CB 3.64Å; P106-L112 HydrophobicContact CB-CB 4.4Å; P106-L112 HydrophobicContact CG-CB 3.96Å; P106-L112 HydrophobicContact CG-CD1 4.06Å; P106-E115 WeakPolarHBondContact CG-OE2 3.39Å; P106-Y207 VanDerWaalsContact C-OH 3.3Å; P106-Y207 PolarHBondContact O-OH 3.33Å
107A81.1Confident78.7Confident55 Ų5571.6 Ų71.646%0.45538%0.377SS..SBendtrans-69.9-27.7-177.800000111.5E111 N203A107-E111 WeakPolarHBondContact CA-OE2 3.4Å; A107-E111 WeakPolarHBondContact CB-OE2 3.26Å; A107-E111 PolarHBondContact N-OE2 2.91Å; A107-N203 PolarHBondContact O-ND2 3.05Å
108T85.1Confident78.4Confident53 Ų5373.2 Ų73.233%0.32539%0.388SS..SBendtrans-135153.6-178.269.20000113.5P106 D110 E111 L112 Y207P106-T108 PolarHBondContact O-N 3.29Å; T108-D110 PolarHBondContact O-N 3.19Å; T108-E111 PolarHBondContact N-OE2 3.43Å; T108-E111 PolarHBondContact O-N 3.48Å; T108-E111 WeakPolarHBondContact OG1-CG 3.41Å; T108-E111 PolarHBondContact OG1-N 3.42Å; T108-L112 PolarHBondContact O-N 2.9Å; T108-Y207 VanDerWaalsContact C-OH 3.27Å; T108-Y207 PolarHBondContact O-OH 3.4Å
109P85.2Confident78.1Confident11 Ų1180.1 Ų80.17%0.07142%0.421CS..Hα-helixtrans-55.5-31.8172.7-22.930.6000114.6L112 K113 T206 Y207 K210P109-L112 PolarHBondContact O-N 3.3Å; P109-K113 WeakPolarHBondContact O-CG 3.49Å; P109-K113 PolarHBondContact O-N 3.3Å; P109-T206 HydrophobicContact CG-CG2 4.21Å; P109-Y207 HydrophobicContact CB-CD1 4.05Å; P109-Y207 HydrophobicContact CB-CE1 3.99Å; P109-Y207 HydrophobicContact CG-CD1 3.59Å; P109-Y207 HydrophobicContact CG-CE1 3.77Å; P109-Y207 HydrophobicContact CG-CG 4.18Å; P109-K210 HydrophobicContact CB-CG 4.16Å; P109-K210 HydrophobicContact CG-CB 4.13Å; P109-K210 HydrophobicContact CG-CG 4.26Å
110D86.8Confident78.3Confident114 Ų11480.2 Ų80.261%0.6143%0.43SS*.Hα-helixtrans-72.7-37-178.5-67.7-30.7000112.1T108 L112 K113 Q114T108-D110 PolarHBondContact O-N 3.19Å; D110-L112 VanDerWaalsContact C-N 3.34Å; D110-K113 PolarHBondContact O-N 2.92Å; D110-Q114 PolarHBondContact O-N 3.24Å
111E86.1Confident79.1Confident86 Ų8682.9 Ų82.940%0.40243%0.434SS..Hα-helixtrans-63.4-41.5171.8-71.9167.9175.800111.1P106 A107 T108 K113 Q114 E115P106-E111 HydrophobicContact CB-CB 3.64Å; A107-E111 WeakPolarHBondContact CA-OE2 3.4Å; A107-E111 WeakPolarHBondContact CB-OE2 3.26Å; A107-E111 PolarHBondContact N-OE2 2.91Å; T108-E111 PolarHBondContact N-OE2 3.43Å; T108-E111 PolarHBondContact O-N 3.48Å; T108-E111 WeakPolarHBondContact OG1-CG 3.41Å; T108-E111 PolarHBondContact OG1-N 3.42Å; E111-K113 PolarHBondContact O-N 3.36Å; E111-Q114 WeakPolarHBondContact O-CB 3.45Å; E111-Q114 PolarHBondContact O-N 2.85Å; E111-Q114 VanDerWaalsContact O-N 3.09Å; E111-E115 PolarHBondContact O-N 3.32Å
112L86.7Confident80.4Confident0 Ų086.2 Ų86.20%043%0.432CS..Hα-helixtrans-61.1-44.3175.2-179.166.4000111.8P106 T108 P109 D110 Q114 E115 E116 K164 A167 Y207P106-L112 HydrophobicContact CB-CB 4.4Å; P106-L112 HydrophobicContact CG-CB 3.96Å; P106-L112 HydrophobicContact CG-CD1 4.06Å; T108-L112 PolarHBondContact O-N 2.9Å; P109-L112 PolarHBondContact O-N 3.3Å; D110-L112 VanDerWaalsContact C-N 3.34Å; L112-Q114 PolarHBondContact O-N 2.97Å; L112-E115 PolarHBondContact O-N 2.91Å; L112-E116 WeakPolarHBondContact O-CG 3.44Å; L112-E116 PolarHBondContact O-N 3.47Å; L112-K164 HydrophobicContact CD1-CD 4.46Å; L112-K164 HydrophobicContact CD1-CG 4.15Å; L112-K164 HydrophobicContact CD2-CG 4.42Å; L112-A167 HydrophobicContact CD2-CB 3.37Å; L112-Y207 HydrophobicContact CD2-CE1 4.3Å
113K85.6Confident81.8Confident50 Ų5087.3 Ų87.322%0.21743%0.429CS..Hα-helixtrans-61.7-29.8175-73.8178.1179.51780112.4P109 D110 E111 R117 D214P109-K113 WeakPolarHBondContact O-CG 3.49Å; P109-K113 PolarHBondContact O-N 3.3Å; D110-K113 PolarHBondContact O-N 2.92Å; E111-K113 PolarHBondContact O-N 3.36Å; K113-R117 VanDerWaalsContact O-CG 3.32Å; K113-R117 WeakPolarHBondContact O-CG 3.42Å; K113-R117 PolarHBondContact O-N 3.32Å; K113-D214 IonicContact NZ-OD2 3.46Å; K113-D214 PolarHBondContact NZ-OD2 3.15Å
114Q86.1Confident83.2Confident116 Ų11685.5 Ų85.554%0.54242%0.421SS..Hα-helixtrans-72.5-48.5173.9-175.4177.6-18.500111.4D110 E111 L112 E116 R117 E118D110-Q114 PolarHBondContact O-N 3.24Å; E111-Q114 WeakPolarHBondContact O-CB 3.45Å; E111-Q114 PolarHBondContact O-N 2.85Å; E111-Q114 VanDerWaalsContact O-N 3.09Å; L112-Q114 PolarHBondContact O-N 2.97Å; Q114-E116 VanDerWaalsContact C-N 3.29Å; Q114-E116 PolarHBondContact O-N 3.31Å; Q114-R117 WeakPolarHBondContact O-CB 3.49Å; Q114-R117 PolarHBondContact O-N 2.96Å; Q114-R117 VanDerWaalsContact O-N 3.1Å; Q114-E118 PolarHBondContact O-N 2.94Å
115E84.4Confident84.1Confident86 Ų8679.1 Ų79.140%0.40240%0.401SS..Hα-helixtrans-57.8-40.5176.6-72.2-176.4178.600112P106 E111 L112 R117 E118 E119P106-E115 WeakPolarHBondContact CG-OE2 3.39Å; E111-E115 PolarHBondContact O-N 3.32Å; L112-E115 PolarHBondContact O-N 2.91Å; E115-R117 VanDerWaalsContact C-N 3.27Å; E115-R117 PolarHBondContact O-N 3.38Å; E115-E118 PolarHBondContact O-N 3.49Å; E115-E118 VanDerWaalsContact O-N 3.12Å; E115-E119 PolarHBondContact O-N 3.46Å
116E84.2Confident84.6Confident20 Ų2085.2 Ų85.29%0.09343%0.429CS..Hα-helixtrans-65.2-27.4177.6-73-176.2152.600114L112 Q114 E118 E119 P120 S168 S169L112-E116 WeakPolarHBondContact O-CG 3.44Å; L112-E116 PolarHBondContact O-N 3.47Å; Q114-E116 VanDerWaalsContact C-N 3.29Å; Q114-E116 PolarHBondContact O-N 3.31Å; E116-E118 VanDerWaalsContact C-N 3.34Å; E116-E119 CarbonylContact O-C 3.58Å; E116-P120 VanDerWaalsContact O-CA 3.32Å; E116-P120 WeakPolarHBondContact O-CA 3.33Å; E116-S168 WeakPolarHBondContact OE1-CA 3.38Å; E116-S168 WeakPolarHBondContact OE1-CB 3.48Å; E116-S168 PolarHBondContact OE1-OG 3.19Å; E116-S169 VanDerWaalsContact OE2-CB 3.3Å; E116-S169 WeakPolarHBondContact OE2-CB 3.38Å; E116-S169 PolarHBondContact OE2-N 3.05Å; E116-S169 PolarHBondContact OE2-OG 2.9Å
117R83.9Confident84.9Confident213 Ų21387.5 Ų87.580%0.80445%0.449SS*.Hα-helixtrans-73.6-31.1174.3-71.5169.6-176.6-175.32.8111.7K113 Q114 E115K113-R117 VanDerWaalsContact O-CG 3.32Å; K113-R117 WeakPolarHBondContact O-CG 3.42Å; K113-R117 PolarHBondContact O-N 3.32Å; Q114-R117 WeakPolarHBondContact O-CB 3.49Å; Q114-R117 PolarHBondContact O-N 2.96Å; Q114-R117 VanDerWaalsContact O-N 3.1Å; E115-R117 VanDerWaalsContact C-N 3.27Å; E115-R117 PolarHBondContact O-N 3.38Å
118E85.2Confident85.5Confident138 Ų13889 Ų8965%0.64545%0.446SS*.Hα-helixtrans-79.8-40178.2-64.8178.2-168.700110.8Q114 E115 E116Q114-E118 PolarHBondContact O-N 2.94Å; E115-E118 PolarHBondContact O-N 3.49Å; E115-E118 VanDerWaalsContact O-N 3.12Å; E116-E118 VanDerWaalsContact C-N 3.34Å
119E80.4Confident85.9Confident148 Ų14887.1 Ų87.169%0.69244%0.435SS*.SBendtrans-128.380.9178.3-67.7-170.2176.800112.4E115 E116 Q121E115-E119 PolarHBondContact O-N 3.46Å; E116-E119 CarbonylContact O-C 3.58Å; E119-Q121 PolarHBondContact O-N 3.27Å
120P78.9Confident86.4Confident104 Ų10490.8 Ų90.868%0.67545%0.452SS*.PPolyproline II helixtrans-65.5128.9-179.623-31.1000111.7E116E116-P120 VanDerWaalsContact O-CA 3.32Å; E116-P120 WeakPolarHBondContact O-CA 3.33Å
121Q77Confident86.8Confident102 Ų10286.3 Ų86.348%0.47743%0.428SS..PPolyproline II helixtrans-79145.9177.1-62.9-63.5-49.700111E119 M170E119-Q121 PolarHBondContact O-N 3.27Å; Q121-M170 VanDerWaalsContact C-CE 3.49Å; Q121-M170 HydrophobicContact CB-CE 3.45Å; Q121-M170 VanDerWaalsContact CB-CE 3.45Å; Q121-M170 WeakPolarHBondContact O-CE 3.03Å
122L81.3Confident87.3Confident152 Ų15282.4 Ų82.480%0.79641%0.41SS*.PPolyproline II helixtrans-81.1123.2179.5-144.8104000110.9
123E83.8Confident87.7Confident98 Ų9882.9 Ų82.946%0.45841%0.414SS..PPolyproline II helixtrans-56.3133173.9-74.5-78.1-176.600110.8M170 R171E123-M170 HydrophobicContact CG-CE 4.27Å; E123-M170 HydrophobicContact CG-CG 4.3Å; E123-M170 HydrophobicContact CG-SD 4.47Å; E123-M170 WeakPolarHBondContact OE1-CG 3.29Å; E123-M170 VanDerWaalsContact OE2-CG 3.32Å; E123-M170 WeakPolarHBondContact OE2-CG 3.49Å; E123-R171 PolarHBondContact OE1-N 3.01Å
124P87.7Confident88.3Confident18 Ų1881.5 Ų81.512%0.11741%0.408CS..PPolyproline II helixtrans-66.4140.7176.227.2-32.2000111.1Q128 I132P124-Q128 HydrophobicContact CB-CB 3.97Å; P124-I132 HydrophobicContact CB-CD1 4.25Å
125S91.3Very high88.8Confident61 Ų6176 Ų7643%0.42738%0.383SS..PPolyproline II helixtrans-62.9158.5166.467.20000111A127 Q128 S129S125-A127 VanDerWaalsContact C-N 3.29Å; S125-A127 PolarHBondContact O-N 3.3Å; S125-Q128 CarbonylContact O-C 3.54Å; S125-Q128 WeakPolarHBondContact O-CA 3.29Å; S125-Q128 WeakPolarHBondContact O-CB 3.47Å; S125-Q128 PolarHBondContact O-N 2.84Å; S125-Q128 VanDerWaalsContact OG-CG 3.25Å; S125-Q128 WeakPolarHBondContact OG-CG 3.33Å; S125-Q128 PolarHBondContact OG-N 3.14Å; S125-Q128 PolarHBondContact OG-OE1 3.49Å; S125-S129 PolarHBondContact O-N 3.3Å; S125-S129 PolarHBondContact O-OG 3.25Å
126Q91.2Very high89.5Confident152 Ų15271.9 Ų71.971%0.7136%0.363SS*.Hα-helixtrans-51.4-45.8178.1-177.2176.9-3.400113Q128 S129 E130Q126-Q128 VanDerWaalsContact C-N 3.31Å; Q126-Q128 PolarHBondContact O-N 2.88Å; Q126-S129 WeakPolarHBondContact O-CB 3.49Å; Q126-S129 PolarHBondContact O-N 2.86Å; Q126-S129 VanDerWaalsContact O-N 3.16Å; Q126-E130 WeakPolarHBondContact O-CG 3.5Å; Q126-E130 PolarHBondContact O-N 3.29Å
127A91.9Very high90.1Very high61 Ų6173.1 Ų73.150%0.50437%0.369SS..Hα-helixtrans-62.4-37.2177.100000112.5S125 E130 V131S125-A127 VanDerWaalsContact C-N 3.29Å; S125-A127 PolarHBondContact O-N 3.3Å; A127-E130 PolarHBondContact O-N 3.07Å; A127-V131 WeakPolarHBondContact O-CG2 3.33Å; A127-V131 PolarHBondContact O-N 2.98Å; A127-V131 VanDerWaalsContact O-N 3.15Å
128Q92.9Very high90.8Very high85 Ų8563 Ų6340%0.39733%0.33SS..Hα-helixtrans-68.2-40174.5-71.1169.8-20.900111.5P124 S125 Q126 E130 V131 I132P124-Q128 HydrophobicContact CB-CB 3.97Å; S125-Q128 CarbonylContact O-C 3.54Å; S125-Q128 WeakPolarHBondContact O-CA 3.29Å; S125-Q128 WeakPolarHBondContact O-CB 3.47Å; S125-Q128 PolarHBondContact O-N 2.84Å; S125-Q128 VanDerWaalsContact OG-CG 3.25Å; S125-Q128 WeakPolarHBondContact OG-CG 3.33Å; S125-Q128 PolarHBondContact OG-N 3.14Å; S125-Q128 PolarHBondContact OG-OE1 3.49Å; Q126-Q128 VanDerWaalsContact C-N 3.31Å; Q126-Q128 PolarHBondContact O-N 2.88Å; Q128-E130 VanDerWaalsContact C-N 3.3Å; Q128-E130 PolarHBondContact O-N 2.95Å; Q128-V131 PolarHBondContact O-N 3.01Å; Q128-I132 WeakPolarHBondContact O-CD1 3.45Å; Q128-I132 WeakPolarHBondContact O-CG1 3.16Å; Q128-I132 PolarHBondContact O-N 3.41Å
129S93.4Very high91.4Very high15 Ų1556.4 Ų56.411%0.10530%0.3CS..Hα-helixtrans-61.6-38.2175.8-60.60000112.3S125 Q126 I132 A133S125-S129 PolarHBondContact O-N 3.3Å; S125-S129 PolarHBondContact O-OG 3.25Å; Q126-S129 WeakPolarHBondContact O-CB 3.49Å; Q126-S129 PolarHBondContact O-N 2.86Å; Q126-S129 VanDerWaalsContact O-N 3.16Å; S129-I132 PolarHBondContact O-N 2.86Å; S129-A133 WeakPolarHBondContact O-CB 3.34Å; S129-A133 PolarHBondContact O-N 3.37Å
130E94.9Very high92.3Very high88 Ų8849.6 Ų49.641%0.41127%0.268SS..Hα-helixtrans-64.1-46.5174.7-72.3171.7-164.900111.9Q126 A127 Q128 I132 A133 E134Q126-E130 WeakPolarHBondContact O-CG 3.5Å; Q126-E130 PolarHBondContact O-N 3.29Å; A127-E130 PolarHBondContact O-N 3.07Å; Q128-E130 VanDerWaalsContact C-N 3.3Å; Q128-E130 PolarHBondContact O-N 2.95Å; E130-I132 PolarHBondContact O-N 3.14Å; E130-A133 PolarHBondContact O-N 3.3Å; E130-E134 PolarHBondContact O-N 3.08Å
131V96.8Very high93.2Very high20 Ų2046.8 Ų46.812%0.12125%0.247CC..Hα-helixtrans-60.1-45.5175.6170.40000111.1H63 L67 L95 A127 Q128 A133 E134 A135H63-V131 HydrophobicContact CB-CG1 4.47Å; H63-V131 HydrophobicContact CB-CG2 4Å; L67-V131 HydrophobicContact CD1-CB 4.48Å; L67-V131 HydrophobicContact CD1-CG1 3.89Å; L67-V131 WeakPolarHBondContact CD1-O 3.16Å; L95-V131 HydrophobicContact CB-CG1 4.33Å; L95-V131 HydrophobicContact CD2-CG1 4.05Å; A127-V131 WeakPolarHBondContact O-CG2 3.33Å; A127-V131 PolarHBondContact O-N 2.98Å; A127-V131 VanDerWaalsContact O-N 3.15Å; Q128-V131 PolarHBondContact O-N 3.01Å; V131-A133 PolarHBondContact O-N 3.38Å; V131-E134 PolarHBondContact O-N 3.32Å; V131-A135 WeakPolarHBondContact O-CB 3.4Å; V131-A135 PolarHBondContact O-N 3.44Å
132I95.4Very high94.1Very high4 Ų442 Ų422%0.02123%0.225CC..Hα-helixtrans-60.3-47.6177.3-66.9160.4000110.2L95 R97 P124 Q128 S129 E130 E134 A135 L136 L176L95-I132 WeakPolarHBondContact O-CG1 3.44Å; R97-I132 HydrophobicContact CG-CD1 4.05Å; R97-I132 HydrophobicContact CG-CG1 4.17Å; P124-I132 HydrophobicContact CB-CD1 4.25Å; Q128-I132 WeakPolarHBondContact O-CD1 3.45Å; Q128-I132 WeakPolarHBondContact O-CG1 3.16Å; Q128-I132 PolarHBondContact O-N 3.41Å; S129-I132 PolarHBondContact O-N 2.86Å; E130-I132 PolarHBondContact O-N 3.14Å; I132-E134 PolarHBondContact O-N 3.15Å; I132-A135 PolarHBondContact O-N 3.47Å; I132-L136 HydrophobicContact CG2-CD1 3.95Å; I132-L136 HydrophobicContact CG2-CG 4.37Å; I132-L136 VanDerWaalsContact O-CG 3.29Å; I132-L136 WeakPolarHBondContact O-CG 3.48Å; I132-L136 PolarHBondContact O-N 3.16Å; I132-L176 HydrophobicContact CB-CD1 4.28Å; I132-L176 HydrophobicContact CD1-CD1 4.48Å; I132-L176 HydrophobicContact CG2-CD1 3.65Å; I132-L176 HydrophobicContact CG2-CG 4.01Å
133A95.8Very high94.9Very high10 Ų1034.7 Ų34.78%0.08319%0.187CC..Hα-helixtrans-62.8-41.7-179.300000112.3S129 E130 V131 L136 K137S129-A133 WeakPolarHBondContact O-CB 3.34Å; S129-A133 PolarHBondContact O-N 3.37Å; E130-A133 PolarHBondContact O-N 3.3Å; V131-A133 PolarHBondContact O-N 3.38Å; A133-L136 PolarHBondContact O-N 3.22Å; A133-K137 VanDerWaalsContact O-CG 3.28Å; A133-K137 WeakPolarHBondContact O-CG 3.42Å; A133-K137 PolarHBondContact O-N 2.93Å
134E97.4Very high95.5Very high21 Ų2136.8 Ų36.810%0.09819%0.192CC..Hα-helixtrans-69-37175.7-70.6-58.4135.700112.6T64 L67 N68 R71 E130 V131 I132 K137 C138T64-E134 HydrophobicContact CG2-CG 4.09Å; L67-E134 HydrophobicContact CB-CB 3.63Å; L67-E134 HydrophobicContact CD1-CB 3.87Å; L67-E134 HydrophobicContact CG-CB 4.38Å; N68-E134 PolarHBondContact ND2-OE2 2.93Å; R71-E134 IonicContact NE-OE2 3.97Å; R71-E134 PolarHBondContact NE-OE2 3.07Å; E130-E134 PolarHBondContact O-N 3.08Å; V131-E134 PolarHBondContact O-N 3.32Å; I132-E134 PolarHBondContact O-N 3.15Å; E134-K137 WeakPolarHBondContact O-CB 3.36Å; E134-K137 PolarHBondContact O-N 3.29Å; E134-K137 WeakPolarHBondContact OE1-CE 3.19Å; E134-K137 IonicContact OE1-NZ 2.68Å; E134-K137 PolarHBondContact OE1-NZ 3.48Å; E134-C138 PolarHBondContact O-N 2.91Å; E134-C138 PolarHBondContact O-SG 3.36Å
135A97.9Very high95.9Very high0 Ų038.2 Ų38.20%020%0.196CC..Hα-helixtrans-63.8-42.9174.600000111.4L67 L95 A96 V131 I132 K137 C138 L139L67-A135 HydrophobicContact CD1-CB 4.21Å; L67-A135 HydrophobicContact CD2-CB 4.37Å; L95-A135 HydrophobicContact CB-CB 3.87Å; A96-A135 HydrophobicContact CB-CB 3.94Å; V131-A135 WeakPolarHBondContact O-CB 3.4Å; V131-A135 PolarHBondContact O-N 3.44Å; I132-A135 PolarHBondContact O-N 3.47Å; A135-K137 VanDerWaalsContact C-N 3.34Å; A135-K137 PolarHBondContact O-N 3.48Å; A135-C138 WeakPolarHBondContact O-CB 3.28Å; A135-C138 PolarHBondContact O-N 2.9Å; A135-L139 WeakPolarHBondContact O-CG 3.29Å; A135-L139 PolarHBondContact O-N 3.07Å
136L97.6Very high96Very high0 Ų035.6 Ų35.60%018%0.179CC..Hα-helixtrans-61.4-39.9174.3-70.7170000112.5A96 I98 I132 A133 C138 L139 C140 L176 D180 L183A96-L136 HydrophobicContact CB-CD2 3.96Å; A96-L136 HydrophobicContact CB-CG 4.14Å; I98-L136 HydrophobicContact CD1-CD2 3.68Å; I132-L136 HydrophobicContact CG2-CD1 3.95Å; I132-L136 HydrophobicContact CG2-CG 4.37Å; I132-L136 VanDerWaalsContact O-CG 3.29Å; I132-L136 WeakPolarHBondContact O-CG 3.48Å; I132-L136 PolarHBondContact O-N 3.16Å; A133-L136 PolarHBondContact O-N 3.22Å; L136-C138 VanDerWaalsContact C-N 3.33Å; L136-C138 PolarHBondContact O-N 3.37Å; L136-L139 PolarHBondContact O-N 3.45Å; L136-C140 PolarHBondContact O-N 3.47Å; L136-C140 PolarHBondContact O-SG 3.48Å; L136-L176 HydrophobicContact CD1-CD2 4.49Å; L136-L176 HydrophobicContact CD1-CG 4.16Å; L136-D180 WeakPolarHBondContact CD1-OD1 3.49Å; L136-D180 WeakPolarHBondContact CD2-OD1 3.25Å; L136-L183 HydrophobicContact CD2-CD2 4.02Å
137K98Very high96.2Very high46 Ų4630.4 Ų30.420%0.216%0.159CC..Hα-helixtrans-60.1-43173.5-70.9168.4-164.9178.10111.6R71 A133 E134 A135 C140 N141 Y179R71-K137 HydrophobicContact CG-CB 4.48Å; A133-K137 VanDerWaalsContact O-CG 3.28Å; A133-K137 WeakPolarHBondContact O-CG 3.42Å; A133-K137 PolarHBondContact O-N 2.93Å; E134-K137 WeakPolarHBondContact O-CB 3.36Å; E134-K137 PolarHBondContact O-N 3.29Å; E134-K137 WeakPolarHBondContact OE1-CE 3.19Å; E134-K137 IonicContact OE1-NZ 2.68Å; E134-K137 PolarHBondContact OE1-NZ 3.48Å; A135-K137 VanDerWaalsContact C-N 3.34Å; A135-K137 PolarHBondContact O-N 3.48Å; K137-C140 PolarHBondContact O-N 3.4Å; K137-N141 PolarHBondContact O-N 2.92Å; K137-Y179 HydrophobicContact CB-CE1 4.45Å; K137-Y179 HydrophobicContact CD-CE1 4.39Å; K137-Y179 HydrophobicContact CD-CE2 4.04Å; K137-Y179 VanDerWaalsContact CE-CZ 3.45Å; K137-Y179 HydrophobicContact CG-CD1 3.79Å; K137-Y179 HydrophobicContact CG-CD2 4Å; K137-Y179 HydrophobicContact CG-CE1 3.44Å; K137-Y179 VanDerWaalsContact CG-CE1 3.44Å; K137-Y179 HydrophobicContact CG-CE2 3.74Å; K137-Y179 HydrophobicContact CG-CG 4.07Å; K137-Y179 VanDerWaalsContact CG-CZ 3.43Å
138C98.4Very high96.3Very high0 Ų032.3 Ų32.30%016%0.16CC..Hα-helixtrans-62.9-46175.7-62.10000111.3L67 V70 L92 E134 A135 L136 C140 N141 L142L67-C138 PolarHBondContact O-SG 3.17Å; L67-C138 VanDerWaalsContact O-SG 3.37Å; V70-C138 HydrophobicContact CG1-CB 4.13Å; L92-C138 HydrophobicContact CD1-CB 3.9Å; L92-C138 HydrophobicContact CD2-CB 3.98Å; E134-C138 PolarHBondContact O-N 2.91Å; E134-C138 PolarHBondContact O-SG 3.36Å; A135-C138 WeakPolarHBondContact O-CB 3.28Å; A135-C138 PolarHBondContact O-N 2.9Å; L136-C138 VanDerWaalsContact C-N 3.33Å; L136-C138 PolarHBondContact O-N 3.37Å; C138-C140 VanDerWaalsContact C-N 3.33Å; C138-C140 PolarHBondContact O-N 3.49Å; C138-N141 WeakPolarHBondContact O-CB 3.46Å; C138-N141 PolarHBondContact O-N 3.36Å; C138-L142 WeakPolarHBondContact O-CG 3.4Å; C138-L142 PolarHBondContact O-N 2.92Å
139L98Very high96.4Very high0 Ų028.4 Ų28.40%014%0.142CC..Hα-helixtrans-61.2-39.1177.4-71.5169000112.4L92 L93 A96 I98 A135 L136 N141 L142 V143 L183L92-L139 HydrophobicContact CB-CD2 3.82Å; L92-L139 HydrophobicContact CB-CG 4.07Å; L92-L139 HydrophobicContact CD1-CD2 4.44Å; L93-L139 HydrophobicContact CD2-CD1 4Å; L93-L139 HydrophobicContact CD2-CD2 4.08Å; L93-L139 HydrophobicContact CG-CD2 4.16Å; A96-L139 HydrophobicContact CB-CD1 3.73Å; I98-L139 HydrophobicContact CD1-CD1 4.28Å; A135-L139 WeakPolarHBondContact O-CG 3.29Å; A135-L139 PolarHBondContact O-N 3.07Å; L136-L139 PolarHBondContact O-N 3.45Å; L139-N141 PolarHBondContact O-N 3.2Å; L139-L142 PolarHBondContact O-N 2.76Å; L139-V143 WeakPolarHBondContact O-CB 3.3Å; L139-V143 WeakPolarHBondContact O-CG2 3.28Å; L139-V143 PolarHBondContact O-N 3.3Å; L139-L183 HydrophobicContact CB-CD1 4.38Å; L139-L183 HydrophobicContact CB-CD2 4.15Å; L139-L183 HydrophobicContact CD1-CD2 4.37Å
140C98.2Very high96.6Very high4 Ų429.4 Ų29.43%0.02714%0.144CC..Hα-helixtrans-58.5-46.6173.9-70.80000111.6L136 K137 C138 Y144 L186L136-C140 PolarHBondContact O-N 3.47Å; L136-C140 PolarHBondContact O-SG 3.48Å; K137-C140 PolarHBondContact O-N 3.4Å; C138-C140 VanDerWaalsContact C-N 3.33Å; C138-C140 PolarHBondContact O-N 3.49Å; C140-Y144 WeakPolarHBondContact O-CB 3.5Å; C140-Y144 PolarHBondContact O-N 2.82Å; C140-L186 HydrophobicContact CB-CD1 3.77Å; C140-L186 WeakPolarHBondContact O-CD1 3.5Å
141N97.5Very high96.6Very high45 Ų4530.4 Ų30.424%0.24114%0.144CC..Hα-helixtrans-62-45.8176.6-72.7-4.8000111.2R71 T74 K137 C138 L139 V143 Y144 Q145R71-N141 PolarHBondContact O-ND2 3.26Å; R71-N141 VanDerWaalsContact O-ND2 3.13Å; T74-N141 WeakPolarHBondContact OG1-CB 3.24Å; T74-N141 PolarHBondContact OG1-ND2 2.92Å; K137-N141 PolarHBondContact O-N 2.92Å; C138-N141 WeakPolarHBondContact O-CB 3.46Å; C138-N141 PolarHBondContact O-N 3.36Å; L139-N141 PolarHBondContact O-N 3.2Å; N141-V143 PolarHBondContact O-N 3.37Å; N141-Y144 PolarHBondContact O-N 3.17Å; N141-Q145 WeakPolarHBondContact O-CB 3.32Å; N141-Q145 VanDerWaalsContact O-CG 3.27Å; N141-Q145 WeakPolarHBondContact O-CG 2.99Å; N141-Q145 PolarHBondContact O-N 3.08Å
142L97.8Very high96.4Very high1 Ų129.9 Ų29.91%0.00514%0.14CC..Hα-helixtrans-61.1-46.5179.7-72.1173.9000112.7W47 T74 L80 I85 V89 L92 C138 L139 Y144 Q145 S146 C149W47-L142 HydrophobicContact CH2-CD2 4.41Å; T74-L142 HydrophobicContact CG2-CD1 4.29Å; T74-L142 HydrophobicContact CG2-CD2 3.66Å; T74-L142 HydrophobicContact CG2-CG 3.72Å; L80-L142 HydrophobicContact CD1-CD2 3.94Å; L80-L142 HydrophobicContact CD2-CD2 3.5Å; L80-L142 VanDerWaalsContact CD2-CD2 3.5Å; L80-L142 HydrophobicContact CG-CD2 4.38Å; I85-L142 HydrophobicContact CD1-CD2 3.78Å; V89-L142 HydrophobicContact CG2-CD1 4.17Å; L92-L142 HydrophobicContact CD1-CD1 3.34Å; C138-L142 WeakPolarHBondContact O-CG 3.4Å; C138-L142 PolarHBondContact O-N 2.92Å; L139-L142 PolarHBondContact O-N 2.76Å; L142-Y144 VanDerWaalsContact C-N 3.31Å; L142-Y144 PolarHBondContact O-N 2.94Å; L142-Q145 PolarHBondContact O-N 3.02Å; L142-S146 WeakPolarHBondContact O-CB 3.3Å; L142-S146 PolarHBondContact O-N 3.38Å; L142-C149 HydrophobicContact CB-CB 4.13Å
143V97.1Very high96.4Very high0 Ų029.7 Ų29.70%014%0.139CC..Hα-helixtrans-64.1-37177.6159.30000111.5L139 N141 R150 C153 L183 L186 L187L139-V143 WeakPolarHBondContact O-CB 3.3Å; L139-V143 WeakPolarHBondContact O-CG2 3.28Å; L139-V143 PolarHBondContact O-N 3.3Å; N141-V143 PolarHBondContact O-N 3.37Å; V143-R150 HydrophobicContact CB-CG 4.26Å; V143-R150 HydrophobicContact CG1-CG 3.88Å; V143-R150 HydrophobicContact CG2-CG 4.46Å; V143-R150 VanDerWaalsContact O-CD 3.29Å; V143-R150 WeakPolarHBondContact O-CD 3.34Å; V143-R150 WeakPolarHBondContact O-CG 3.36Å; V143-R150 PolarHBondContact O-NH1 3.33Å; V143-C153 HydrophobicContact CG2-CB 4.49Å; V143-L183 HydrophobicContact CB-CD1 4.19Å; V143-L183 HydrophobicContact CG1-CD1 4.38Å; V143-L183 HydrophobicContact CG2-CD1 3.83Å; V143-L186 HydrophobicContact CG1-CB 3.71Å; V143-L187 HydrophobicContact CG1-CD2 3.78Å; V143-L187 HydrophobicContact CG1-CG 3.99Å; V143-L187 HydrophobicContact CG2-CD2 3.94Å; V143-L187 HydrophobicContact CG2-CG 4.48Å
144Y96.8Very high96.3Very high142 Ų14230.6 Ų30.656%0.55714%0.143SC*.Hα-helixtrans-66-48176.1-178.4-107.4000111.4C140 N141 L142 R150 L186 L190C140-Y144 WeakPolarHBondContact O-CB 3.5Å; C140-Y144 PolarHBondContact O-N 2.82Å; N141-Y144 PolarHBondContact O-N 3.17Å; L142-Y144 VanDerWaalsContact C-N 3.31Å; L142-Y144 PolarHBondContact O-N 2.94Å; Y144-R150 PolarHBondContact O-NH1 3.39Å; Y144-L186 HydrophobicContact CD2-CD2 3.99Å; Y144-L190 HydrophobicContact CD2-CD1 4.41Å
145Q94.8Very high96.1Very high47 Ų4736 Ų3622%0.2216%0.162CC..Hα-helixtrans-83.4-29.5-172.5-59.8-62.54.200114.7L80 N141 L142L80-Q145 HydrophobicContact CD1-CB 3.83Å; L80-Q145 HydrophobicContact CD1-CG 4.32Å; N141-Q145 WeakPolarHBondContact O-CB 3.32Å; N141-Q145 VanDerWaalsContact O-CG 3.27Å; N141-Q145 WeakPolarHBondContact O-CG 2.99Å; N141-Q145 PolarHBondContact O-N 3.08Å; L142-Q145 PolarHBondContact O-N 3.02Å
146S94.9Very high95.7Very high7 Ų738.5 Ų38.55%0.04917%0.174CC..  trans-126.4122.2-169.5175.50000113.3L142 D148 C149 R150L142-S146 WeakPolarHBondContact O-CB 3.3Å; L142-S146 PolarHBondContact O-N 3.38Å; S146-D148 VanDerWaalsContact C-N 3.3Å; S146-D148 PolarHBondContact O-N 3.44Å; S146-D148 PolarHBondContact OG-N 3.49Å; S146-C149 VanDerWaalsContact CB-SG 3.58Å; S146-C149 PolarHBondContact O-N 3.43Å; S146-C149 PolarHBondContact OG-N 3.48Å; S146-C149 PolarHBondContact OG-SG 3.22Å; S146-R150 WeakPolarHBondContact O-CG 3.49Å; S146-R150 PolarHBondContact O-N 3.31Å; S146-R150 VanDerWaalsContact O-N 3.14Å
147S94.7Very high95.4Very high42 Ų4242.2 Ų42.229%0.29419%0.191SC..Hα-helixtrans-67.6-29.8173.875.80000113.2R150 R151S147-R150 VanDerWaalsContact CB-NH2 3.33Å; S147-R150 PolarHBondContact O-N 3.3Å; S147-R151 PolarHBondContact O-N 2.93Å; S147-R151 VanDerWaalsContact O-N 3.08Å; S147-R151 PolarHBondContact O-NH1 3.21Å; S147-R151 PolarHBondContact OG-NH1 3Å; S147-R151 PolarHBondContact OG-NH2 3.24Å
148D94.2Very high95.1Very high101 Ų10140 Ų4054%0.5418%0.181SC..Hα-helixtrans-67.5-41.7174.6-72.9-51.6000111.1S146 R150 R151 Q152S146-D148 VanDerWaalsContact C-N 3.3Å; S146-D148 PolarHBondContact O-N 3.44Å; S146-D148 PolarHBondContact OG-N 3.49Å; D148-R150 VanDerWaalsContact C-N 3.35Å; D148-R150 PolarHBondContact O-N 3.46Å; D148-R151 VanDerWaalsContact CG-NH2 3.3Å; D148-R151 PolarHBondContact O-N 3.14Å; D148-R151 IonicContact OD1-CZ 3.5Å; D148-R151 IonicContact OD1-NE 3.92Å; D148-R151 IonicContact OD1-NH2 2.69Å; D148-R151 PolarHBondContact OD1-NH2 3.38Å; D148-R151 IonicContact OD2-NH2 3.03Å; D148-Q152 WeakPolarHBondContact O-CB 3.11Å; D148-Q152 PolarHBondContact O-N 3.07Å
149C95.8Very high94.9Very high3 Ų340 Ų402%0.0218%0.182CC..Hα-helixtrans-62.8-40.6174.4-630000111.5L142 S146 Q152 C153L142-C149 HydrophobicContact CB-CB 4.13Å; S146-C149 VanDerWaalsContact CB-SG 3.58Å; S146-C149 PolarHBondContact O-N 3.43Å; S146-C149 PolarHBondContact OG-N 3.48Å; S146-C149 PolarHBondContact OG-SG 3.22Å; C149-Q152 PolarHBondContact O-N 2.88Å; C149-C153 PolarHBondContact O-N 2.9Å; C149-C153 PolarHBondContact O-SG 3.35Å
150R96.3Very high94.6Very high36 Ų3640.9 Ų40.914%0.13619%0.186CC..Hα-helixtrans-56.7-52.2173.4-66.4-164.1-71.9-83.46.6112V143 Y144 S146 S147 D148 Q152 C153 L154 L190V143-R150 HydrophobicContact CB-CG 4.26Å; V143-R150 HydrophobicContact CG1-CG 3.88Å; V143-R150 HydrophobicContact CG2-CG 4.46Å; V143-R150 VanDerWaalsContact O-CD 3.29Å; V143-R150 WeakPolarHBondContact O-CD 3.34Å; V143-R150 WeakPolarHBondContact O-CG 3.36Å; V143-R150 PolarHBondContact O-NH1 3.33Å; Y144-R150 PolarHBondContact O-NH1 3.39Å; S146-R150 WeakPolarHBondContact O-CG 3.49Å; S146-R150 PolarHBondContact O-N 3.31Å; S146-R150 VanDerWaalsContact O-N 3.14Å; S147-R150 VanDerWaalsContact CB-NH2 3.33Å; S147-R150 PolarHBondContact O-N 3.3Å; D148-R150 VanDerWaalsContact C-N 3.35Å; D148-R150 PolarHBondContact O-N 3.46Å; R150-Q152 VanDerWaalsContact C-N 3.28Å; R150-Q152 PolarHBondContact O-N 3.49Å; R150-C153 PolarHBondContact O-N 3.41Å; R150-L154 WeakPolarHBondContact O-CG 3.29Å; R150-L154 PolarHBondContact O-N 3.48Å; R150-L190 VanDerWaalsContact CD-CB 3.5Å
151R94.8Very high94.3Very high110 Ų11041.5 Ų41.542%0.41519%0.192SC..Hα-helixtrans-58.8-40.8177.5-74.1-175.7-73-85.25.7111.6S147 D148 L154 R155S147-R151 PolarHBondContact O-N 2.93Å; S147-R151 VanDerWaalsContact O-N 3.08Å; S147-R151 PolarHBondContact O-NH1 3.21Å; S147-R151 PolarHBondContact OG-NH1 3Å; S147-R151 PolarHBondContact OG-NH2 3.24Å; D148-R151 VanDerWaalsContact CG-NH2 3.3Å; D148-R151 PolarHBondContact O-N 3.14Å; D148-R151 IonicContact OD1-CZ 3.5Å; D148-R151 IonicContact OD1-NE 3.92Å; D148-R151 IonicContact OD1-NH2 2.69Å; D148-R151 PolarHBondContact OD1-NH2 3.38Å; D148-R151 IonicContact OD2-NH2 3.03Å; R151-L154 PolarHBondContact O-N 3.06Å; R151-R155 WeakPolarHBondContact O-CG 3.37Å; R151-R155 PolarHBondContact O-N 3.14Å
152Q93.8Very high94Very high8 Ų839.4 Ų39.44%0.03718%0.18CC..Hα-helixtrans-65.1-48177.2-176176.1-13.400112.4E86 V89 N90 D148 C149 R150 L154 R155 Q156E86-Q152 PolarHBondContact O-NE2 3.45Å; V89-Q152 VanDerWaalsContact CG1-CD 3.46Å; V89-Q152 HydrophobicContact CG1-CG 4.06Å; N90-Q152 PolarHBondContact OD1-NE2 3.49Å; D148-Q152 WeakPolarHBondContact O-CB 3.11Å; D148-Q152 PolarHBondContact O-N 3.07Å; C149-Q152 PolarHBondContact O-N 2.88Å; R150-Q152 VanDerWaalsContact C-N 3.28Å; R150-Q152 PolarHBondContact O-N 3.49Å; Q152-L154 VanDerWaalsContact C-N 3.25Å; Q152-L154 PolarHBondContact O-N 2.7Å; Q152-R155 PolarHBondContact O-N 2.89Å; Q152-R155 VanDerWaalsContact O-N 3.14Å; Q152-Q156 HydrophobicContact CG-CG 4.3Å; Q152-Q156 WeakPolarHBondContact O-CB 3.27Å; Q152-Q156 WeakPolarHBondContact O-CG 3.33Å; Q152-Q156 PolarHBondContact O-N 3.28Å
153C95.1Very high93.7Very high1 Ų139.3 Ų39.31%0.00718%0.18CC..Hα-helixtrans-56.2-42176.3-69.90000111.3V143 C149 R150 Q156 C158 L187V143-C153 HydrophobicContact CG2-CB 4.49Å; C149-C153 PolarHBondContact O-N 2.9Å; C149-C153 PolarHBondContact O-SG 3.35Å; R150-C153 PolarHBondContact O-N 3.41Å; C153-Q156 PolarHBondContact O-N 2.7Å; C153-C158 HydrophobicContact CB-CB 3.98Å; C153-C158 WeakPolarHBondContact O-CB 3.46Å; C153-C158 PolarHBondContact O-N 3.39Å; C153-C158 VanDerWaalsContact O-N 3.07Å; C153-L187 HydrophobicContact CB-CD2 4.23Å
154L93.5Very high93.3Very high29 Ų2940.7 Ų40.715%0.15219%0.186CC..Hα-helixtrans-65.5-43.7175.8-66.5-170000113.1R150 R151 Q152 Q156 H157 L159 L187 E191 A193 A194R150-L154 WeakPolarHBondContact O-CG 3.29Å; R150-L154 PolarHBondContact O-N 3.48Å; R151-L154 PolarHBondContact O-N 3.06Å; Q152-L154 VanDerWaalsContact C-N 3.25Å; Q152-L154 PolarHBondContact O-N 2.7Å; L154-Q156 PolarHBondContact O-N 2.6Å; L154-H157 PolarHBondContact O-N 3.41Å; L154-L159 HydrophobicContact CD2-CD1 3.62Å; L154-L159 HydrophobicContact CD2-CD2 4.3Å; L154-L159 HydrophobicContact CD2-CG 3.75Å; L154-L187 HydrophobicContact CD2-CD2 4.35Å; L154-E191 HydrophobicContact CD1-CB 4.29Å; L154-E191 HydrophobicContact CD1-CG 3.38Å; L154-A193 HydrophobicContact CD1-CB 4.22Å; L154-A194 HydrophobicContact CD1-CB 4.29Å; L154-A194 HydrophobicContact CD2-CB 3.94Å
155R92Very high92.9Very high133 Ų13335.2 Ų35.250%0.50216%0.164SC..Hα-helixtrans-59.6-32174.9-75.6-174.8-64.4125.8-6.5112.5E86 R151 Q152 H157E86-R155 IonicContact OE1-CZ 2.8Å; E86-R155 IonicContact OE1-NH1 3.47Å; E86-R155 PolarHBondContact OE1-NH1 3.49Å; E86-R155 IonicContact OE1-NH2 3.28Å; E86-R155 PolarHBondContact OE1-NH2 3.25Å; R151-R155 WeakPolarHBondContact O-CG 3.37Å; R151-R155 PolarHBondContact O-N 3.14Å; Q152-R155 PolarHBondContact O-N 2.89Å; Q152-R155 VanDerWaalsContact O-N 3.14Å; R155-H157 VanDerWaalsContact C-N 3.28Å; R155-H157 PolarHBondContact O-N 2.69Å
156Q90.9Very high92.5Very high54 Ų5433.6 Ų33.625%0.25216%0.157SC..THydrogen-bonded Turntrans-90.321.1-178.8-63.4-65.9-300113.3N90 L93 Q152 C153 L154 C158N90-Q156 PolarHBondContact OD1-NE2 3.34Å; L93-Q156 HydrophobicContact CD1-CB 3.79Å; L93-Q156 HydrophobicContact CD1-CG 3.92Å; Q152-Q156 HydrophobicContact CG-CG 4.3Å; Q152-Q156 WeakPolarHBondContact O-CB 3.27Å; Q152-Q156 WeakPolarHBondContact O-CG 3.33Å; Q152-Q156 PolarHBondContact O-N 3.28Å; C153-Q156 PolarHBondContact O-N 2.7Å; L154-Q156 PolarHBondContact O-N 2.6Å; Q156-C158 PolarHBondContact O-N 2.94Å; Q156-C158 VanDerWaalsContact O-N 3.14Å
157H90.2Very high91.9Very high77 Ų7733.9 Ų33.936%0.35616%0.16SC..THydrogen-bonded Turntrans56.231.8176.4-60.4-87.2000113.8A100 L154 R155 L159 D160 A161 R197A100-H157 HydrophobicContact CB-CB 4.41Å; L154-H157 PolarHBondContact O-N 3.41Å; R155-H157 VanDerWaalsContact C-N 3.28Å; R155-H157 PolarHBondContact O-N 2.69Å; H157-L159 PolarHBondContact O-N 3.45Å; H157-D160 HydrophobicContact CB-CB 4.17Å; H157-D160 IonicContact ND1-OD1 2.63Å; H157-D160 IonicContact ND1-OD2 3.36Å; H157-D160 WeakPolarHBondContact O-CB 3.46Å; H157-D160 PolarHBondContact O-N 3.32Å; H157-D160 VanDerWaalsContact O-N 3.15Å; H157-A161 PolarHBondContact O-N 2.81Å; H157-A161 VanDerWaalsContact O-N 3.1Å; H157-R197 PolarHBondContact ND1-NH2 3.33Å; H157-R197 VanDerWaalsContact ND1-NH2 3.19Å
158C93.3Very high91.4Very high0 Ų033 Ų330%015%0.154CC..Hα-helixtrans-57.9-36.3-179-178.20000112.5I98 C153 Q156 I162I98-C158 HydrophobicContact CG2-CB 3.92Å; C153-C158 HydrophobicContact CB-CB 3.98Å; C153-C158 WeakPolarHBondContact O-CB 3.46Å; C153-C158 PolarHBondContact O-N 3.39Å; C153-C158 VanDerWaalsContact O-N 3.07Å; Q156-C158 PolarHBondContact O-N 2.94Å; Q156-C158 VanDerWaalsContact O-N 3.14Å; C158-I162 WeakPolarHBondContact O-CD1 3.48Å; C158-I162 VanDerWaalsContact O-CG1 3.23Å; C158-I162 WeakPolarHBondContact O-CG1 3.34Å; C158-I162 PolarHBondContact O-N 2.95Å; C158-I162 VanDerWaalsContact O-N 3.1Å; C158-I162 VanDerWaalsContact SG-CD1 3.59Å
159L93.6Very high90.5Very high1 Ų131.8 Ų31.81%0.00515%0.153CC..Hα-helixtrans-65-46.3177.7-63.1-179000111.7L154 H157 I162 L163 L184 L187 A194 R197 L198 L202L154-L159 HydrophobicContact CD2-CD1 3.62Å; L154-L159 HydrophobicContact CD2-CD2 4.3Å; L154-L159 HydrophobicContact CD2-CG 3.75Å; H157-L159 PolarHBondContact O-N 3.45Å; L159-I162 PolarHBondContact O-N 2.98Å; L159-L163 WeakPolarHBondContact O-CB 3.47Å; L159-L163 PolarHBondContact O-N 3.1Å; L159-L184 HydrophobicContact CD2-CD2 3.57Å; L159-L187 HydrophobicContact CD2-CB 4.32Å; L159-L187 HydrophobicContact CD2-CD1 3.81Å; L159-A194 HydrophobicContact CD1-CB 3.97Å; L159-R197 HydrophobicContact CD1-CB 4.14Å; L159-R197 HydrophobicContact CD1-CG 4.16Å; L159-L198 HydrophobicContact CB-CD2 4.29Å; L159-L198 HydrophobicContact CB-CG 4.49Å; L159-L198 HydrophobicContact CD1-CD1 4.48Å; L159-L198 HydrophobicContact CD1-CG 4Å; L159-L198 HydrophobicContact CD2-CD1 4.14Å; L159-L198 HydrophobicContact CD2-CG 4.31Å; L159-L198 HydrophobicContact CG-CG 4.5Å; L159-L202 HydrophobicContact CB-CD1 3.84Å
160D91.6Very high89.7Confident18 Ų1833 Ų3310%0.09616%0.159CC..Hα-helixtrans-59.9-48.8-179.8-50.7-138.7000110.7H157 L163 K164 R197 L202H157-D160 HydrophobicContact CB-CB 4.17Å; H157-D160 IonicContact ND1-OD1 2.63Å; H157-D160 IonicContact ND1-OD2 3.36Å; H157-D160 WeakPolarHBondContact O-CB 3.46Å; H157-D160 PolarHBondContact O-N 3.32Å; H157-D160 VanDerWaalsContact O-N 3.15Å; D160-L163 PolarHBondContact O-N 3.5Å; D160-K164 WeakPolarHBondContact O-CB 3.48Å; D160-K164 PolarHBondContact O-N 3.34Å; D160-R197 IonicContact OD1-CZ 3.77Å; D160-R197 IonicContact OD1-NH2 2.64Å; D160-R197 PolarHBondContact OD1-NH2 3.03Å; D160-R197 IonicContact OD2-CZ 3.5Å; D160-R197 IonicContact OD2-NE 3.46Å; D160-R197 PolarHBondContact OD2-NE 2.97Å; D160-R197 IonicContact OD2-NH2 3.47Å; D160-R197 PolarHBondContact OD2-NH2 3.22Å; D160-L202 HydrophobicContact CB-CD2 4.4Å; D160-L202 WeakPolarHBondContact OD1-CD2 3.31Å
161A91Very high88.8Confident17 Ų1741 Ų4114%0.1419%0.19CC..Hα-helixtrans-65.7-43.3-178.500000112.5I98 H157 R165I98-A161 HydrophobicContact CB-CB 4.42Å; I98-A161 HydrophobicContact CG2-CB 3.82Å; H157-A161 PolarHBondContact O-N 2.81Å; H157-A161 VanDerWaalsContact O-N 3.1Å; A161-R165 WeakPolarHBondContact O-CB 3.23Å; A161-R165 PolarHBondContact O-N 3.4Å
162I92.6Very high88.3Confident0 Ų037.1 Ų37.10%018%0.176CC..Hα-helixtrans-66.1-45.4176.1-62.7166.8000110I98 C158 L159 K164 R165 V166 D180 L183 L184I98-I162 HydrophobicContact CD1-CD1 4.1Å; I98-I162 HydrophobicContact CD1-CG1 3.85Å; I98-I162 HydrophobicContact CG1-CG1 4.4Å; C158-I162 WeakPolarHBondContact O-CD1 3.48Å; C158-I162 VanDerWaalsContact O-CG1 3.23Å; C158-I162 WeakPolarHBondContact O-CG1 3.34Å; C158-I162 PolarHBondContact O-N 2.95Å; C158-I162 VanDerWaalsContact O-N 3.1Å; C158-I162 VanDerWaalsContact SG-CD1 3.59Å; L159-I162 PolarHBondContact O-N 2.98Å; I162-K164 VanDerWaalsContact C-N 3.31Å; I162-K164 PolarHBondContact O-N 3.12Å; I162-R165 WeakPolarHBondContact O-CB 3.15Å; I162-R165 PolarHBondContact O-N 3.08Å; I162-R165 VanDerWaalsContact O-N 3.09Å; I162-V166 HydrophobicContact CG2-CG2 3.98Å; I162-V166 WeakPolarHBondContact O-CB 3.33Å; I162-V166 WeakPolarHBondContact O-CG2 3.31Å; I162-V166 PolarHBondContact O-N 2.77Å; I162-D180 HydrophobicContact CG2-CB 3.74Å; I162-L183 HydrophobicContact CD1-CB 4.27Å; I162-L183 HydrophobicContact CD1-CD2 3.72Å; I162-L183 HydrophobicContact CD1-CG 3.93Å; I162-L184 HydrophobicContact CB-CD2 4.2Å; I162-L184 HydrophobicContact CB-CG 4.34Å; I162-L184 HydrophobicContact CD1-CD2 4.16Å; I162-L184 HydrophobicContact CD1-CG 4.28Å; I162-L184 HydrophobicContact CG2-CD1 3.68Å; I162-L184 HydrophobicContact CG2-CD2 4.16Å; I162-L184 HydrophobicContact CG2-CG 3.75Å
163L91.4Very high88Confident0 Ų039.6 Ų39.60%019%0.193CC..Hα-helixtrans-62.5-40.3-179.1-170.161.6000111.7L105 L159 D160 V166 A167 L198 L202 Y207 M208L105-L163 HydrophobicContact CD2-CB 4.27Å; L105-L163 HydrophobicContact CD2-CD2 3.39Å; L105-L163 HydrophobicContact CD2-CG 3.85Å; L159-L163 WeakPolarHBondContact O-CB 3.47Å; L159-L163 PolarHBondContact O-N 3.1Å; D160-L163 PolarHBondContact O-N 3.5Å; L163-V166 PolarHBondContact O-N 2.89Å; L163-A167 WeakPolarHBondContact O-CB 3.48Å; L163-A167 PolarHBondContact O-N 3Å; L163-L198 HydrophobicContact CD2-CD2 4.17Å; L163-L202 HydrophobicContact CD2-CB 3.87Å; L163-Y207 HydrophobicContact CD1-CG 4.32Å; L163-Y207 HydrophobicContact CD2-CD2 3.99Å; L163-Y207 HydrophobicContact CD2-CG 4.38Å; L163-Y207 HydrophobicContact CG-CD2 4.28Å; L163-Y207 HydrophobicContact CG-CG 4.2Å; L163-M208 HydrophobicContact CD1-CG 4.28Å
164K88.8Confident87.7Confident29 Ų2941.1 Ų41.113%0.12620%0.203CC..Hα-helixtrans-58.3-49.1171.3-177.6-178.5171171.60111.2L103 L105 L112 D160 I162 V166 A167 S168L103-K164 HydrophobicContact CB-CD 3.73Å; L103-K164 HydrophobicContact CD1-CD 3.62Å; L103-K164 HydrophobicContact CD2-CD 3.59Å; L103-K164 VanDerWaalsContact CD2-CE 3.49Å; L103-K164 HydrophobicContact CG-CD 3.74Å; L103-K164 VanDerWaalsContact CG-NZ 3.28Å; L105-K164 HydrophobicContact CD1-CB 3.77Å; L105-K164 HydrophobicContact CD1-CG 4.28Å; L112-K164 HydrophobicContact CD1-CD 4.46Å; L112-K164 HydrophobicContact CD1-CG 4.15Å; L112-K164 HydrophobicContact CD2-CG 4.42Å; D160-K164 WeakPolarHBondContact O-CB 3.48Å; D160-K164 PolarHBondContact O-N 3.34Å; I162-K164 VanDerWaalsContact C-N 3.31Å; I162-K164 PolarHBondContact O-N 3.12Å; K164-V166 VanDerWaalsContact C-N 3.3Å; K164-V166 PolarHBondContact O-N 3.1Å; K164-A167 PolarHBondContact O-N 2.84Å; K164-S168 PolarHBondContact O-N 3.15Å
165R88.7Confident87.5Confident27 Ų2742.2 Ų42.210%0.10222%0.216CC..Hα-helixtrans-60.6-41.7-179.5-178161.460.6-152.9-1.9111.8A96 A161 I162 S168 H172 D180A96-R165 PolarHBondContact O-NH1 2.81Å; A161-R165 WeakPolarHBondContact O-CB 3.23Å; A161-R165 PolarHBondContact O-N 3.4Å; I162-R165 WeakPolarHBondContact O-CB 3.15Å; I162-R165 PolarHBondContact O-N 3.08Å; I162-R165 VanDerWaalsContact O-N 3.09Å; R165-S168 WeakPolarHBondContact O-CB 3.37Å; R165-S168 PolarHBondContact O-N 3.38Å; R165-H172 VanDerWaalsContact CG-NE2 3.32Å; R165-H172 WeakPolarHBondContact CG-NE2 3.43Å; R165-D180 IonicContact CZ-OD1 3.65Å; R165-D180 IonicContact CZ-OD2 2.62Å; R165-D180 IonicContact NE-OD1 3.49Å; R165-D180 IonicContact NE-OD2 2.76Å; R165-D180 PolarHBondContact NE-OD2 3.06Å; R165-D180 VanDerWaalsContact NH2-CG 3.28Å; R165-D180 IonicContact NH2-OD1 2.86Å; R165-D180 PolarHBondContact NH2-OD1 3.4Å; R165-D180 IonicContact NH2-OD2 3.6Å; R165-D180 PolarHBondContact NH2-OD2 3.21Å
166V84.6Confident87.5Confident12 Ų1236 Ų367%0.07319%0.193CC..Hα-helixtrans-66.1-40.3177.3172.40000111.3I162 L163 K164 S168 M181 W211I162-V166 HydrophobicContact CG2-CG2 3.98Å; I162-V166 WeakPolarHBondContact O-CB 3.33Å; I162-V166 WeakPolarHBondContact O-CG2 3.31Å; I162-V166 PolarHBondContact O-N 2.77Å; L163-V166 PolarHBondContact O-N 2.89Å; K164-V166 VanDerWaalsContact C-N 3.3Å; K164-V166 PolarHBondContact O-N 3.1Å; V166-S168 PolarHBondContact O-N 3.22Å; V166-M181 HydrophobicContact CB-CE 4.21Å; V166-M181 HydrophobicContact CG1-CE 3.94Å; V166-M181 HydrophobicContact CG2-CE 3.18Å; V166-W211 HydrophobicContact CG1-CB 4.24Å; V166-W211 HydrophobicContact CG1-CD2 4.42Å; V166-W211 HydrophobicContact CG1-CG 3.85Å
167A84Confident87.5Confident13 Ų1334.4 Ų34.411%0.10719%0.185CC..Hα-helixtrans-76.2-8.3178.500000113.9L112 L163 K164 Y207L112-A167 HydrophobicContact CD2-CB 3.37Å; L163-A167 WeakPolarHBondContact O-CB 3.48Å; L163-A167 PolarHBondContact O-N 3Å; K164-A167 PolarHBondContact O-N 2.84Å; A167-Y207 HydrophobicContact CB-CD1 3.3Å; A167-Y207 HydrophobicContact CB-CE1 3.67Å; A167-Y207 HydrophobicContact CB-CG 4.31Å
168S82.9Confident87.8Confident24 Ų2433.7 Ų33.717%0.16818%0.18CC..SBendtrans-66.9147.3-177.3-172.90000112E116 K164 R165 V166 M170E116-S168 WeakPolarHBondContact OE1-CA 3.38Å; E116-S168 WeakPolarHBondContact OE1-CB 3.48Å; E116-S168 PolarHBondContact OE1-OG 3.19Å; K164-S168 PolarHBondContact O-N 3.15Å; R165-S168 WeakPolarHBondContact O-CB 3.37Å; R165-S168 PolarHBondContact O-N 3.38Å; V166-S168 PolarHBondContact O-N 3.22Å; S168-M170 PolarHBondContact O-N 3.01Å; S168-M170 VanDerWaalsContact OG-CB 3.28Å; S168-M170 WeakPolarHBondContact OG-CB 3.21Å; S168-M170 PolarHBondContact OG-N 3Å; S168-M170 VanDerWaalsContact OG-N 3.13Å
169S76.3Confident87.9Confident75 Ų7536.1 Ų36.152%0.52419%0.189SC..SBendtrans-71.4-11.4168.9-47.60000112.7E116E116-S169 VanDerWaalsContact OE2-CB 3.3Å; E116-S169 WeakPolarHBondContact OE2-CB 3.38Å; E116-S169 PolarHBondContact OE2-N 3.05Å; E116-S169 PolarHBondContact OE2-OG 2.9Å
170M78.1Confident88Confident29 Ų2936.1 Ų36.114%0.14319%0.19CC..SBendtrans-64.7135.2179.4-167.4175.1-81.800111.2Q121 E123 S168 H172Q121-M170 VanDerWaalsContact C-CE 3.49Å; Q121-M170 HydrophobicContact CB-CE 3.45Å; Q121-M170 VanDerWaalsContact CB-CE 3.45Å; Q121-M170 WeakPolarHBondContact O-CE 3.03Å; E123-M170 HydrophobicContact CG-CE 4.27Å; E123-M170 HydrophobicContact CG-CG 4.3Å; E123-M170 HydrophobicContact CG-SD 4.47Å; E123-M170 WeakPolarHBondContact OE1-CG 3.29Å; E123-M170 VanDerWaalsContact OE2-CG 3.32Å; E123-M170 WeakPolarHBondContact OE2-CG 3.49Å; S168-M170 PolarHBondContact O-N 3.01Å; S168-M170 VanDerWaalsContact OG-CB 3.28Å; S168-M170 WeakPolarHBondContact OG-CB 3.21Å; S168-M170 PolarHBondContact OG-N 3Å; S168-M170 VanDerWaalsContact OG-N 3.13Å; M170-H172 PolarHBondContact O-N 3.23Å; M170-H172 PolarHBondContact SD-CE1 3.22Å
171R77.2Confident88.2Confident205 Ų20535.4 Ų35.477%0.77419%0.186SC*.  trans-88.5105.8178.4-78.1-169.7173.8-169.7-3.9110E123E123-R171 PolarHBondContact OE1-N 3.01Å
172H83.8Confident88.5Confident28 Ų2837.8 Ų37.813%0.1319%0.193CC..  trans-88.4150.5175.8-64.1-57.6000112.4R165 M170 L176 E177R165-H172 VanDerWaalsContact CG-NE2 3.32Å; R165-H172 WeakPolarHBondContact CG-NE2 3.43Å; M170-H172 PolarHBondContact O-N 3.23Å; M170-H172 PolarHBondContact SD-CE1 3.22Å; H172-L176 HydrophobicContact CB-CD2 4.11Å; H172-E177 HydrophobicContact CB-CG 3.91Å
173P88.3Confident88.8Confident60 Ų6037.8 Ų37.839%0.3919%0.193SC..  trans-57.6141.6170.3-2434.3000111.4A175 L176 E177P173-A175 PolarHBondContact O-N 3.01Å; P173-A175 VanDerWaalsContact O-N 3.13Å; P173-L176 WeakPolarHBondContact O-CA 3.4Å; P173-L176 WeakPolarHBondContact O-CB 3.25Å; P173-L176 PolarHBondContact O-N 2.87Å; P173-E177 PolarHBondContact O-N 3.44Å; P173-E177 VanDerWaalsContact O-N 3.17Å
174C87.9Confident89.1Confident33 Ų3337.8 Ų37.822%0.22319%0.193CC..Hα-helixtrans-55.5-36-178-73.50000112.7L176 E177 Y178 E224 I228C174-L176 VanDerWaalsContact C-N 3.3Å; C174-L176 PolarHBondContact O-N 2.72Å; C174-E177 PolarHBondContact O-N 3.26Å; C174-Y178 VanDerWaalsContact O-CB 3.29Å; C174-Y178 WeakPolarHBondContact O-CB 3.41Å; C174-Y178 PolarHBondContact O-N 2.82Å; C174-E224 HydrophobicContact CB-CB 3.97Å; C174-E224 WeakPolarHBondContact CB-OE2 3.48Å; C174-I228 HydrophobicContact CB-CD1 3.96Å
175A89.6Confident89.5Confident52 Ų5239.1 Ų39.143%0.4320%0.199SC..Hα-helixtrans-59-40.4175.100000112.5P173 Y179P173-A175 PolarHBondContact O-N 3.01Å; P173-A175 VanDerWaalsContact O-N 3.13Å; A175-Y179 WeakPolarHBondContact O-CD2 3.32Å; A175-Y179 PolarHBondContact O-N 3.13Å
176L92.3Very high90Very high3 Ų338.7 Ų38.72%0.01620%0.199CC..Hα-helixtrans-68.4-51.4178.4-172.8163.9000110.1I132 L136 H172 P173 C174 Y178 Y179 D180I132-L176 HydrophobicContact CB-CD1 4.28Å; I132-L176 HydrophobicContact CD1-CD1 4.48Å; I132-L176 HydrophobicContact CG2-CD1 3.65Å; I132-L176 HydrophobicContact CG2-CG 4.01Å; L136-L176 HydrophobicContact CD1-CD2 4.49Å; L136-L176 HydrophobicContact CD1-CG 4.16Å; H172-L176 HydrophobicContact CB-CD2 4.11Å; P173-L176 WeakPolarHBondContact O-CA 3.4Å; P173-L176 WeakPolarHBondContact O-CB 3.25Å; P173-L176 PolarHBondContact O-N 2.87Å; C174-L176 VanDerWaalsContact C-N 3.3Å; C174-L176 PolarHBondContact O-N 2.72Å; L176-Y178 PolarHBondContact O-N 3.19Å; L176-Y179 PolarHBondContact O-N 2.84Å; L176-Y179 VanDerWaalsContact O-N 3.14Å; L176-D180 WeakPolarHBondContact CD2-OD2 3.28Å; L176-D180 PolarHBondContact O-N 2.99Å
177E92.3Very high90.6Very high19 Ų1938.1 Ų38.19%0.08920%0.195CC..Hα-helixtrans-54.9-40177-66.2-171.9161.500111.3H172 P173 C174 D180 M181 K215 I228H172-E177 HydrophobicContact CB-CG 3.91Å; P173-E177 PolarHBondContact O-N 3.44Å; P173-E177 VanDerWaalsContact O-N 3.17Å; C174-E177 PolarHBondContact O-N 3.26Å; E177-D180 WeakPolarHBondContact O-CB 3.46Å; E177-D180 PolarHBondContact O-N 2.9Å; E177-M181 WeakPolarHBondContact O-CG 3.39Å; E177-M181 PolarHBondContact O-N 3.11Å; E177-K215 IonicContact OE1-NZ 2.99Å; E177-K215 PolarHBondContact OE1-NZ 3.45Å; E177-K215 IonicContact OE2-NZ 2.91Å; E177-K215 PolarHBondContact OE2-NZ 3.15Å; E177-I228 HydrophobicContact CB-CD1 3.75Å; E177-I228 HydrophobicContact CB-CG1 4.38Å; E177-I228 HydrophobicContact CB-CG2 4.21Å; E177-I228 WeakPolarHBondContact OE2-CD1 3.34Å
178Y95.2Very high91.2Very high62 Ų6237.6 Ų37.624%0.24319%0.19CC..Hα-helixtrans-62.6-47177.6177.3-98.3000112.8C174 L176 D180 M181 K182 N227 I228 E231C174-Y178 VanDerWaalsContact O-CB 3.29Å; C174-Y178 WeakPolarHBondContact O-CB 3.41Å; C174-Y178 PolarHBondContact O-N 2.82Å; L176-Y178 PolarHBondContact O-N 3.19Å; Y178-D180 VanDerWaalsContact C-N 3.31Å; Y178-D180 PolarHBondContact O-N 3.18Å; Y178-M181 PolarHBondContact O-N 3.49Å; Y178-K182 HydrophobicContact CE1-CD 4.07Å; Y178-K182 WeakPolarHBondContact O-CB 3.18Å; Y178-K182 PolarHBondContact O-N 3.26Å; Y178-N227 HydrophobicContact CD2-CB 4.27Å; Y178-N227 HydrophobicContact CE2-CB 4.28Å; Y178-I228 HydrophobicContact CD2-CG1 4.49Å; Y178-E231 HydrophobicContact CD2-CG 3.98Å; Y178-E231 HydrophobicContact CE2-CG 3.48Å; Y178-E231 VanDerWaalsContact CE2-CG 3.48Å
179Y96.3Very high91.8Very high51 Ų5138.8 Ų38.820%0.220%0.202CC..Hα-helixtrans-73.4-24.6-180-75.1-71000113.1K137 A175 L176 K182 L183K137-Y179 HydrophobicContact CB-CE1 4.45Å; K137-Y179 HydrophobicContact CD-CE1 4.39Å; K137-Y179 HydrophobicContact CD-CE2 4.04Å; K137-Y179 VanDerWaalsContact CE-CZ 3.45Å; K137-Y179 HydrophobicContact CG-CD1 3.79Å; K137-Y179 HydrophobicContact CG-CD2 4Å; K137-Y179 HydrophobicContact CG-CE1 3.44Å; K137-Y179 VanDerWaalsContact CG-CE1 3.44Å; K137-Y179 HydrophobicContact CG-CE2 3.74Å; K137-Y179 HydrophobicContact CG-CG 4.07Å; K137-Y179 VanDerWaalsContact CG-CZ 3.43Å; A175-Y179 WeakPolarHBondContact O-CD2 3.32Å; A175-Y179 PolarHBondContact O-N 3.13Å; L176-Y179 PolarHBondContact O-N 2.84Å; L176-Y179 VanDerWaalsContact O-N 3.14Å; Y179-K182 HydrophobicContact CD1-CD 4.11Å; Y179-K182 HydrophobicContact CE1-CD 4.17Å; Y179-K182 PolarHBondContact O-N 2.88Å; Y179-L183 VanDerWaalsContact O-CB 3.27Å; Y179-L183 WeakPolarHBondContact O-CB 3.33Å; Y179-L183 PolarHBondContact O-N 3.17Å
180D95.3Very high92.8Very high2 Ų238.4 Ų38.41%0.01119%0.194CC..Hα-helixtrans-62.7-50.6167.5-80.6-9.6000112L136 I162 R165 L176 E177 Y178 K182 L183 L184L136-D180 WeakPolarHBondContact CD1-OD1 3.49Å; L136-D180 WeakPolarHBondContact CD2-OD1 3.25Å; I162-D180 HydrophobicContact CG2-CB 3.74Å; R165-D180 IonicContact CZ-OD1 3.65Å; R165-D180 IonicContact CZ-OD2 2.62Å; R165-D180 IonicContact NE-OD1 3.49Å; R165-D180 IonicContact NE-OD2 2.76Å; R165-D180 PolarHBondContact NE-OD2 3.06Å; R165-D180 VanDerWaalsContact NH2-CG 3.28Å; R165-D180 IonicContact NH2-OD1 2.86Å; R165-D180 PolarHBondContact NH2-OD1 3.4Å; R165-D180 IonicContact NH2-OD2 3.6Å; R165-D180 PolarHBondContact NH2-OD2 3.21Å; L176-D180 WeakPolarHBondContact CD2-OD2 3.28Å; L176-D180 PolarHBondContact O-N 2.99Å; E177-D180 WeakPolarHBondContact O-CB 3.46Å; E177-D180 PolarHBondContact O-N 2.9Å; Y178-D180 VanDerWaalsContact C-N 3.31Å; Y178-D180 PolarHBondContact O-N 3.18Å; D180-K182 VanDerWaalsContact C-N 3.28Å; D180-K182 PolarHBondContact O-N 3.41Å; D180-L183 PolarHBondContact O-N 3.38Å; D180-L184 WeakPolarHBondContact O-CG 3.3Å; D180-L184 PolarHBondContact O-N 2.61Å
181M96.5Very high93.6Very high2 Ų239 Ų391%0.0120%0.196CC..Hα-helixtrans-61.8-40.4176.5-67.3-55.1107.400111.4V166 E177 Y178 L184 F185 I228 E231 L232V166-M181 HydrophobicContact CB-CE 4.21Å; V166-M181 HydrophobicContact CG1-CE 3.94Å; V166-M181 HydrophobicContact CG2-CE 3.18Å; E177-M181 WeakPolarHBondContact O-CG 3.39Å; E177-M181 PolarHBondContact O-N 3.11Å; Y178-M181 PolarHBondContact O-N 3.49Å; M181-L184 HydrophobicContact CE-CD1 3.93Å; M181-L184 PolarHBondContact O-N 3.21Å; M181-F185 VanDerWaalsContact O-CB 3.31Å; M181-F185 WeakPolarHBondContact O-CB 3.33Å; M181-F185 PolarHBondContact O-N 3.47Å; M181-I228 HydrophobicContact CG-CG2 3.69Å; M181-E231 HydrophobicContact CB-CB 3.52Å; M181-E231 HydrophobicContact CG-CB 4.46Å; M181-L232 HydrophobicContact CG-CB 4.37Å; M181-L232 HydrophobicContact SD-CB 3.8Å; M181-L232 HydrophobicContact SD-CD1 3.5Å; M181-L232 WeakPolarHBondContact SD-CD1 3.32Å; M181-L232 HydrophobicContact SD-CG 4.21Å
182K97.4Very high94.4Very high68 Ų6832.6 Ų32.630%0.29618%0.181SC..Hα-helixtrans-64.3-41.3177.6-170.2170-175.9172.30112.2Y178 Y179 D180 F185 L186Y178-K182 HydrophobicContact CE1-CD 4.07Å; Y178-K182 WeakPolarHBondContact O-CB 3.18Å; Y178-K182 PolarHBondContact O-N 3.26Å; Y179-K182 HydrophobicContact CD1-CD 4.11Å; Y179-K182 HydrophobicContact CE1-CD 4.17Å; Y179-K182 PolarHBondContact O-N 2.88Å; D180-K182 VanDerWaalsContact C-N 3.28Å; D180-K182 PolarHBondContact O-N 3.41Å; K182-F185 PolarHBondContact O-N 3.21Å; K182-L186 HydrophobicContact CG-CD1 4.41Å; K182-L186 VanDerWaalsContact O-CG 3.3Å; K182-L186 WeakPolarHBondContact O-CG 3.5Å; K182-L186 PolarHBondContact O-N 3.28Å
183L97.7Very high94.8Very high0 Ų033.7 Ų33.70%020%0.195CC..Hα-helixtrans-66.4-43.9177.1-17753.8000111.2I98 L136 L139 V143 I162 Y179 D180 F185 L186 L187I98-L183 HydrophobicContact CD1-CD2 4.05Å; L136-L183 HydrophobicContact CD2-CD2 4.02Å; L139-L183 HydrophobicContact CB-CD1 4.38Å; L139-L183 HydrophobicContact CB-CD2 4.15Å; L139-L183 HydrophobicContact CD1-CD2 4.37Å; V143-L183 HydrophobicContact CB-CD1 4.19Å; V143-L183 HydrophobicContact CG1-CD1 4.38Å; V143-L183 HydrophobicContact CG2-CD1 3.83Å; I162-L183 HydrophobicContact CD1-CB 4.27Å; I162-L183 HydrophobicContact CD1-CD2 3.72Å; I162-L183 HydrophobicContact CD1-CG 3.93Å; Y179-L183 VanDerWaalsContact O-CB 3.27Å; Y179-L183 WeakPolarHBondContact O-CB 3.33Å; Y179-L183 PolarHBondContact O-N 3.17Å; D180-L183 PolarHBondContact O-N 3.38Å; L183-F185 VanDerWaalsContact C-N 3.31Å; L183-F185 PolarHBondContact O-N 3.44Å; L183-L186 PolarHBondContact O-N 3.41Å; L183-L187 HydrophobicContact CD1-CD1 4.28Å; L183-L187 HydrophobicContact CD1-CG 4.4Å; L183-L187 HydrophobicContact CG-CD1 4.21Å; L183-L187 WeakPolarHBondContact O-CB 3.47Å; L183-L187 WeakPolarHBondContact O-CG 3.22Å; L183-L187 PolarHBondContact O-N 3.34Å
184L97.1Very high95.1Very high0 Ų030.9 Ų30.90%018%0.177CC..Hα-helixtrans-59.7-41.6171.7-73.2178.8000112L159 I162 D180 M181 L187 T188 L198 V235L159-L184 HydrophobicContact CD2-CD2 3.57Å; I162-L184 HydrophobicContact CB-CD2 4.2Å; I162-L184 HydrophobicContact CB-CG 4.34Å; I162-L184 HydrophobicContact CD1-CD2 4.16Å; I162-L184 HydrophobicContact CD1-CG 4.28Å; I162-L184 HydrophobicContact CG2-CD1 3.68Å; I162-L184 HydrophobicContact CG2-CD2 4.16Å; I162-L184 HydrophobicContact CG2-CG 3.75Å; D180-L184 WeakPolarHBondContact O-CG 3.3Å; D180-L184 PolarHBondContact O-N 2.61Å; M181-L184 HydrophobicContact CE-CD1 3.93Å; M181-L184 PolarHBondContact O-N 3.21Å; L184-L187 PolarHBondContact O-N 2.85Å; L184-T188 WeakPolarHBondContact O-CB 3.19Å; L184-T188 VanDerWaalsContact O-CG2 3.31Å; L184-T188 WeakPolarHBondContact O-CG2 3.39Å; L184-T188 PolarHBondContact O-N 3.36Å; L184-T188 PolarHBondContact O-OG1 2.93Å; L184-L198 HydrophobicContact CD2-CD1 4.43Å; L184-V235 HydrophobicContact CB-CG1 4.07Å; L184-V235 HydrophobicContact CB-CG2 3.78Å
185F98Very high95.4Very high56 Ų5632.3 Ų32.325%0.24618%0.177CC..Hα-helixtrans-62.2-48.5178.8167-109.5000110.8M181 K182 L183 L187 T188 A189 K234 V235 N238M181-F185 VanDerWaalsContact O-CB 3.31Å; M181-F185 WeakPolarHBondContact O-CB 3.33Å; M181-F185 PolarHBondContact O-N 3.47Å; K182-F185 PolarHBondContact O-N 3.21Å; L183-F185 VanDerWaalsContact C-N 3.31Å; L183-F185 PolarHBondContact O-N 3.44Å; F185-L187 PolarHBondContact O-N 3.43Å; F185-T188 PolarHBondContact O-N 3.2Å; F185-T188 PolarHBondContact O-OG1 2.88Å; F185-T188 VanDerWaalsContact O-OG1 3.08Å; F185-A189 HydrophobicContact CE2-CB 4.32Å; F185-A189 HydrophobicContact CZ-CB 4.46Å; F185-A189 WeakPolarHBondContact O-CB 3.27Å; F185-A189 PolarHBondContact O-N 3.07Å; F185-K234 HydrophobicContact CD2-CB 3.48Å; F185-K234 VanDerWaalsContact CD2-CB 3.48Å; F185-K234 HydrophobicContact CD2-CD 4.27Å; F185-K234 HydrophobicContact CD2-CG 4.47Å; F185-K234 HydrophobicContact CE2-CB 3.71Å; F185-K234 HydrophobicContact CE2-CD 4.16Å; F185-K234 HydrophobicContact CE2-CG 4.38Å; F185-K234 HydrophobicContact CG-CB 4.33Å; F185-K234 HydrophobicContact CZ-CD 4.42Å; F185-V235 HydrophobicContact CB-CG2 3.87Å; F185-N238 WeakPolarHBondContact CD2-ND2 3.47Å
186L98.2Very high95.5Very high19 Ų1931.7 Ų31.710%0.09917%0.17CC..Hα-helixtrans-62.2-44.5178.4-70.3171000112.1C140 V143 Y144 K182 L183 A189 L190C140-L186 HydrophobicContact CB-CD1 3.77Å; C140-L186 WeakPolarHBondContact O-CD1 3.5Å; V143-L186 HydrophobicContact CG1-CB 3.71Å; Y144-L186 HydrophobicContact CD2-CD2 3.99Å; K182-L186 HydrophobicContact CG-CD1 4.41Å; K182-L186 VanDerWaalsContact O-CG 3.3Å; K182-L186 WeakPolarHBondContact O-CG 3.5Å; K182-L186 PolarHBondContact O-N 3.28Å; L183-L186 PolarHBondContact O-N 3.41Å; L186-A189 PolarHBondContact O-N 3.4Å; L186-L190 VanDerWaalsContact O-CB 3.28Å; L186-L190 WeakPolarHBondContact O-CB 3.47Å; L186-L190 VanDerWaalsContact O-CG 3.3Å; L186-L190 WeakPolarHBondContact O-CG 3.39Å; L186-L190 PolarHBondContact O-N 3.03Å
187L97.6Very high95.4Very high0 Ų034.3 Ų34.30%018%0.179CC..Hα-helixtrans-62.5-46.7177.3-72.7168.8000111.5V143 C153 L154 L159 L183 L184 F185 E191 A194V143-L187 HydrophobicContact CG1-CD2 3.78Å; V143-L187 HydrophobicContact CG1-CG 3.99Å; V143-L187 HydrophobicContact CG2-CD2 3.94Å; V143-L187 HydrophobicContact CG2-CG 4.48Å; C153-L187 HydrophobicContact CB-CD2 4.23Å; L154-L187 HydrophobicContact CD2-CD2 4.35Å; L159-L187 HydrophobicContact CD2-CB 4.32Å; L159-L187 HydrophobicContact CD2-CD1 3.81Å; L183-L187 HydrophobicContact CD1-CD1 4.28Å; L183-L187 HydrophobicContact CD1-CG 4.4Å; L183-L187 HydrophobicContact CG-CD1 4.21Å; L183-L187 WeakPolarHBondContact O-CB 3.47Å; L183-L187 WeakPolarHBondContact O-CG 3.22Å; L183-L187 PolarHBondContact O-N 3.34Å; L184-L187 PolarHBondContact O-N 2.85Å; F185-L187 PolarHBondContact O-N 3.43Å; L187-E191 VanDerWaalsContact O-CB 3.32Å; L187-E191 WeakPolarHBondContact O-CB 3.39Å; L187-E191 PolarHBondContact O-N 3.27Å; L187-A194 HydrophobicContact CB-CB 4.28Å; L187-A194 WeakPolarHBondContact O-CB 3.16Å
188T96.3Very high95.4Very high1 Ų133.4 Ų33.41%0.00618%0.175CC..Hα-helixtrans-71.8-29.1-179.554.10000113.8L184 F185 A194 R195 L198 V235 N238 V239L184-T188 WeakPolarHBondContact O-CB 3.19Å; L184-T188 VanDerWaalsContact O-CG2 3.31Å; L184-T188 WeakPolarHBondContact O-CG2 3.39Å; L184-T188 PolarHBondContact O-N 3.36Å; L184-T188 PolarHBondContact O-OG1 2.93Å; F185-T188 PolarHBondContact O-N 3.2Å; F185-T188 PolarHBondContact O-OG1 2.88Å; F185-T188 VanDerWaalsContact O-OG1 3.08Å; T188-A194 HydrophobicContact CG2-CB 4.43Å; T188-R195 HydrophobicContact CG2-CG 4.43Å; T188-R195 WeakPolarHBondContact O-CD 3.43Å; T188-R195 WeakPolarHBondContact O-CG 3.48Å; T188-L198 HydrophobicContact CG2-CD1 3.38Å; T188-V235 HydrophobicContact CG2-CG1 4.2Å; T188-N238 PolarHBondContact OG1-ND2 3.39Å; T188-N238 VanDerWaalsContact OG1-ND2 3.12Å; T188-V239 HydrophobicContact CG2-CG2 3.95Å
189A96.8Very high95.1Very high50 Ų5031.2 Ų31.241%0.41317%0.167SC..Hα-helixtrans-74-39.317600000111.9F185 L186 N238F185-A189 HydrophobicContact CE2-CB 4.32Å; F185-A189 HydrophobicContact CZ-CB 4.46Å; F185-A189 WeakPolarHBondContact O-CB 3.27Å; F185-A189 PolarHBondContact O-N 3.07Å; L186-A189 PolarHBondContact O-N 3.4Å; A189-N238 PolarHBondContact N-ND2 3.21Å
190L96.8Very high94.7Very high67 Ų6733 Ų3335%0.35118%0.179SC..Hα-helixtrans-100-15.9-170-61.3173.1000114.1Y144 R150 L186Y144-L190 HydrophobicContact CD2-CD1 4.41Å; R150-L190 VanDerWaalsContact CD-CB 3.5Å; L186-L190 VanDerWaalsContact O-CB 3.28Å; L186-L190 WeakPolarHBondContact O-CB 3.47Å; L186-L190 VanDerWaalsContact O-CG 3.3Å; L186-L190 WeakPolarHBondContact O-CG 3.39Å; L186-L190 PolarHBondContact O-N 3.03Å
191E94.9Very high94.3Very high41 Ų4137.8 Ų37.819%0.19221%0.205CC..  trans-132.9106.9-174.6-16755-116.900111.9L154 L187 A193 A194L154-E191 HydrophobicContact CD1-CB 4.29Å; L154-E191 HydrophobicContact CD1-CG 3.38Å; L187-E191 VanDerWaalsContact O-CB 3.32Å; L187-E191 WeakPolarHBondContact O-CB 3.39Å; L187-E191 PolarHBondContact O-N 3.27Å; E191-A193 HydrophobicContact CG-CB 4.32Å; E191-A193 PolarHBondContact O-N 3.16Å; E191-A194 HydrophobicContact CB-CB 4.24Å; E191-A194 VanDerWaalsContact O-CB 3.25Å; E191-A194 WeakPolarHBondContact O-CB 3.44Å; E191-A194 PolarHBondContact O-N 3.45Å
192P93.3Very high94Very high70 Ų7038.3 Ų38.346%0.45521%0.208SC..Hα-helixtrans-53.9-38.4178.4-27.134.9000114.1A194 R195 S196P192-A194 PolarHBondContact O-N 3.09Å; P192-R195 WeakPolarHBondContact O-CB 3.48Å; P192-R195 PolarHBondContact O-N 2.88Å; P192-S196 PolarHBondContact O-N 3.25Å
193A93.1Very high93.6Very high52 Ų5237.8 Ų37.843%0.4321%0.208SC..Hα-helixtrans-60.7-29.5178.100000112.9L154 E191 R195 R197L154-A193 HydrophobicContact CD1-CB 4.22Å; E191-A193 HydrophobicContact CG-CB 4.32Å; E191-A193 PolarHBondContact O-N 3.16Å; A193-R195 VanDerWaalsContact C-N 3.34Å; A193-R197 VanDerWaalsContact O-CB 3.28Å; A193-R197 WeakPolarHBondContact O-CB 3.37Å; A193-R197 PolarHBondContact O-N 3.27Å
194A95Very high93.3Very high0 Ų037.8 Ų37.80%021%0.208CC..Hα-helixtrans-65.8-38.2175.800000111.8L154 L159 L187 T188 E191 P192 L198L154-A194 HydrophobicContact CD1-CB 4.29Å; L154-A194 HydrophobicContact CD2-CB 3.94Å; L159-A194 HydrophobicContact CD1-CB 3.97Å; L187-A194 HydrophobicContact CB-CB 4.28Å; L187-A194 WeakPolarHBondContact O-CB 3.16Å; T188-A194 HydrophobicContact CG2-CB 4.43Å; E191-A194 HydrophobicContact CB-CB 4.24Å; E191-A194 VanDerWaalsContact O-CB 3.25Å; E191-A194 WeakPolarHBondContact O-CB 3.44Å; E191-A194 PolarHBondContact O-N 3.45Å; P192-A194 PolarHBondContact O-N 3.09Å; A194-L198 WeakPolarHBondContact O-CB 3.34Å; A194-L198 PolarHBondContact O-N 3.39Å
195R93.8Very high93.1Very high64 Ų6437.9 Ų37.924%0.24221%0.209CC..Hα-helixtrans-66.4-52.1178-64.2-179.8-77.4167.6-0.9111T188 P192 A193 R197 L198 Q199 N238T188-R195 HydrophobicContact CG2-CG 4.43Å; T188-R195 WeakPolarHBondContact O-CD 3.43Å; T188-R195 WeakPolarHBondContact O-CG 3.48Å; P192-R195 WeakPolarHBondContact O-CB 3.48Å; P192-R195 PolarHBondContact O-N 2.88Å; A193-R195 VanDerWaalsContact C-N 3.34Å; R195-R197 VanDerWaalsContact C-N 3.34Å; R195-R197 PolarHBondContact O-N 2.91Å; R195-L198 PolarHBondContact O-N 3.4Å; R195-Q199 WeakPolarHBondContact O-CB 3.32Å; R195-Q199 PolarHBondContact O-N 2.9Å; R195-N238 WeakPolarHBondContact CD-O 3.22Å
196S91.2Very high92.8Very high38 Ų3837.3 Ų37.327%0.26621%0.21SC..Hα-helixtrans-60-43.4178.9-56.30000111.5P192 Q199 I200 D244P192-S196 PolarHBondContact O-N 3.25Å; S196-Q199 PolarHBondContact O-N 3.18Å; S196-I200 WeakPolarHBondContact O-CB 3.42Å; S196-I200 PolarHBondContact O-N 3.34Å; S196-D244 PolarHBondContact OG-OD2 3.16Å
197R91.2Very high92.5Very high59 Ų5936.5 Ų36.522%0.22321%0.205CC..Iπ-helixtrans-61.8-49.6176.7-179.1174.7-176.878.4-0.3112.3H157 L159 D160 A193 R195 Q199 D201 L202H157-R197 PolarHBondContact ND1-NH2 3.33Å; H157-R197 VanDerWaalsContact ND1-NH2 3.19Å; L159-R197 HydrophobicContact CD1-CB 4.14Å; L159-R197 HydrophobicContact CD1-CG 4.16Å; D160-R197 IonicContact OD1-CZ 3.77Å; D160-R197 IonicContact OD1-NH2 2.64Å; D160-R197 PolarHBondContact OD1-NH2 3.03Å; D160-R197 IonicContact OD2-CZ 3.5Å; D160-R197 IonicContact OD2-NE 3.46Å; D160-R197 PolarHBondContact OD2-NE 2.97Å; D160-R197 IonicContact OD2-NH2 3.47Å; D160-R197 PolarHBondContact OD2-NH2 3.22Å; A193-R197 VanDerWaalsContact O-CB 3.28Å; A193-R197 WeakPolarHBondContact O-CB 3.37Å; A193-R197 PolarHBondContact O-N 3.27Å; R195-R197 VanDerWaalsContact C-N 3.34Å; R195-R197 PolarHBondContact O-N 2.91Å; R197-Q199 VanDerWaalsContact C-N 3.28Å; R197-Q199 PolarHBondContact O-N 2.66Å; R197-D201 HydrophobicContact CG-CB 4.11Å; R197-D201 IonicContact NH1-OD2 3.53Å; R197-D201 WeakPolarHBondContact O-CB 3.33Å; R197-D201 PolarHBondContact O-N 3Å; R197-L202 HydrophobicContact CG-CD1 4.02Å; R197-L202 HydrophobicContact CG-CG 4.14Å; R197-L202 PolarHBondContact O-N 3.37Å; R197-L202 VanDerWaalsContact O-N 3.1Å
198L92Very high92.4Very high0 Ų036.5 Ų36.50%021%0.205CC..Iπ-helixtrans-61.4-39.5178.2-84.1169.6000111.8L159 L163 L184 T188 A194 R195 L202 G204 V239L159-L198 HydrophobicContact CB-CD2 4.29Å; L159-L198 HydrophobicContact CB-CG 4.49Å; L159-L198 HydrophobicContact CD1-CD1 4.48Å; L159-L198 HydrophobicContact CD1-CG 4Å; L159-L198 HydrophobicContact CD2-CD1 4.14Å; L159-L198 HydrophobicContact CD2-CG 4.31Å; L159-L198 HydrophobicContact CG-CG 4.5Å; L163-L198 HydrophobicContact CD2-CD2 4.17Å; L184-L198 HydrophobicContact CD2-CD1 4.43Å; T188-L198 HydrophobicContact CG2-CD1 3.38Å; A194-L198 WeakPolarHBondContact O-CB 3.34Å; A194-L198 PolarHBondContact O-N 3.39Å; R195-L198 PolarHBondContact O-N 3.4Å; L198-L202 HydrophobicContact CD2-CD1 4.11Å; L198-G204 WeakPolarHBondContact O-CA 3.49Å; L198-G204 PolarHBondContact O-N 3.24Å; L198-V239 HydrophobicContact CB-CG2 4.16Å; L198-V239 HydrophobicContact CD1-CG2 4.01Å
199Q89Confident92.3Very high15 Ų1536.5 Ų36.57%0.0721%0.205CC..Iπ-helixtrans-73.3-49.8-177.6-170173.721.200112.6R195 S196 R197 L205 V239R195-Q199 WeakPolarHBondContact O-CB 3.32Å; R195-Q199 PolarHBondContact O-N 2.9Å; S196-Q199 PolarHBondContact O-N 3.18Å; R197-Q199 VanDerWaalsContact C-N 3.28Å; R197-Q199 PolarHBondContact O-N 2.66Å; Q199-L205 HydrophobicContact CG-CD1 4.45Å; Q199-V239 HydrophobicContact CB-CG1 3.87Å; Q199-V239 HydrophobicContact CG-CG1 4.36Å
200I87.3Confident92.1Very high90 Ų9036.5 Ų36.546%0.46220%0.196SC..Iπ-helixtrans-95-51.6-167.9-59.3169.5000111.4S196 D244S196-I200 WeakPolarHBondContact O-CB 3.42Å; S196-I200 PolarHBondContact O-N 3.34Å; I200-D244 HydrophobicContact CD1-CB 3.68Å
201D88.2Confident91.9Very high102 Ų10234.4 Ų34.455%0.54518%0.183SC..Iπ-helixtrans-80.9-32.2-169.4-58.4-21.4000112R197R197-D201 HydrophobicContact CG-CB 4.11Å; R197-D201 IonicContact NH1-OD2 3.53Å; R197-D201 WeakPolarHBondContact O-CB 3.33Å; R197-D201 PolarHBondContact O-N 3Å
202L89.5Confident91.9Very high13 Ų1332.4 Ų32.47%0.06817%0.174CC..SBendtrans-111.2-2.2-169.2-59.5-179.4000114.5L105 L159 D160 L163 R197 L198 G204L105-L202 HydrophobicContact CD2-CB 4.38Å; L159-L202 HydrophobicContact CB-CD1 3.84Å; D160-L202 HydrophobicContact CB-CD2 4.4Å; D160-L202 WeakPolarHBondContact OD1-CD2 3.31Å; L163-L202 HydrophobicContact CD2-CB 3.87Å; R197-L202 HydrophobicContact CG-CD1 4.02Å; R197-L202 HydrophobicContact CG-CG 4.14Å; R197-L202 PolarHBondContact O-N 3.37Å; R197-L202 VanDerWaalsContact O-N 3.1Å; L198-L202 HydrophobicContact CD2-CD1 4.11Å; L202-G204 PolarHBondContact O-N 3.46Å
203N88.7Confident91.9Very high57 Ų5732 Ų3231%0.30517%0.168SC..  trans48.534.4-172.2-68-28.5000112.9A107 L205 T206 Y207A107-N203 PolarHBondContact O-ND2 3.05Å; N203-L205 VanDerWaalsContact C-N 3.26Å; N203-L205 PolarHBondContact O-N 3.45Å; N203-T206 VanDerWaalsContact O-CB 3.28Å; N203-T206 WeakPolarHBondContact O-CB 3.34Å; N203-T206 PolarHBondContact O-N 3.11Å; N203-Y207 PolarHBondContact O-N 3.28Å
204G91.8Very high91.9Very high0 Ų032.8 Ų32.80%017%0.165CC..Hα-helixtrans-61.5-31.7-167.100000113.8L198 L202 T206 Y207 M208L198-G204 WeakPolarHBondContact O-CA 3.49Å; L198-G204 PolarHBondContact O-N 3.24Å; L202-G204 PolarHBondContact O-N 3.46Å; G204-T206 VanDerWaalsContact C-N 3.29Å; G204-T206 PolarHBondContact O-N 3.41Å; G204-Y207 PolarHBondContact O-N 3.16Å; G204-M208 VanDerWaalsContact O-CB 3.32Å; G204-M208 WeakPolarHBondContact O-CB 3.39Å; G204-M208 WeakPolarHBondContact O-CE 3.4Å; G204-M208 VanDerWaalsContact O-CG 3.26Å; G204-M208 WeakPolarHBondContact O-CG 3.34Å; G204-M208 PolarHBondContact O-N 3.37Å
205L91.8Very high91.6Very high2 Ų234.2 Ų34.21%0.0117%0.171CC..Hα-helixtrans-62.4-34.4173-76.9174.9000112.4Q199 N203 M208 T209 M236 V239 T240 Y250 Q253Q199-L205 HydrophobicContact CG-CD1 4.45Å; N203-L205 VanDerWaalsContact C-N 3.26Å; N203-L205 PolarHBondContact O-N 3.45Å; L205-M208 HydrophobicContact CD2-CE 4.03Å; L205-M208 HydrophobicContact CG-CE 4.48Å; L205-T209 WeakPolarHBondContact O-CB 3.49Å; L205-T209 PolarHBondContact O-N 2.72Å; L205-T209 PolarHBondContact O-OG1 3.1Å; L205-M236 HydrophobicContact CD2-CB 4.31Å; L205-M236 HydrophobicContact CD2-CE 4.24Å; L205-M236 HydrophobicContact CD2-CG 4.37Å; L205-V239 HydrophobicContact CD1-CG1 4.05Å; L205-V239 HydrophobicContact CD2-CB 4.35Å; L205-V239 HydrophobicContact CD2-CG1 4.03Å; L205-V239 HydrophobicContact CG-CG1 3.8Å; L205-T240 HydrophobicContact CD1-CG2 3.82Å; L205-T240 HydrophobicContact CD2-CG2 3.92Å; L205-Y250 HydrophobicContact CD1-CE2 4.06Å; L205-Q253 HydrophobicContact CB-CG 4.09Å; L205-Q253 VanDerWaalsContact CB-NE2 3.33Å; L205-Q253 VanDerWaalsContact CB-OE1 3.31Å
206T91.5Very high91.4Very high44 Ų4431.9 Ų31.927%0.2716%0.163SC..Hα-helixtrans-65-49.3176.4-60.30000110.2P109 N203 G204 T209 K210 Q253P109-T206 HydrophobicContact CG-CG2 4.21Å; N203-T206 VanDerWaalsContact O-CB 3.28Å; N203-T206 WeakPolarHBondContact O-CB 3.34Å; N203-T206 PolarHBondContact O-N 3.11Å; G204-T206 VanDerWaalsContact C-N 3.29Å; G204-T206 PolarHBondContact O-N 3.41Å; T206-T209 PolarHBondContact O-N 2.99Å; T206-K210 WeakPolarHBondContact O-CB 3.5Å; T206-K210 PolarHBondContact O-N 3.09Å; T206-Q253 PolarHBondContact OG1-NE2 2.94Å
207Y92.7Very high91.2Very high2 Ų233.1 Ų33.11%0.00818%0.182CC..Hα-helixtrans-61.5-48.3178.5-78.9-75.5000112.4L105 P106 T108 P109 L112 L163 A167 N203 G204 K210 W211L105-Y207 HydrophobicContact CD1-CE1 4.27Å; L105-Y207 HydrophobicContact CD1-CE2 4.37Å; L105-Y207 HydrophobicContact CD2-CD2 3.94Å; L105-Y207 HydrophobicContact CD2-CE2 3.51Å; L105-Y207 HydrophobicContact CG-CE2 3.84Å; P106-Y207 VanDerWaalsContact C-OH 3.3Å; P106-Y207 PolarHBondContact O-OH 3.33Å; T108-Y207 VanDerWaalsContact C-OH 3.27Å; T108-Y207 PolarHBondContact O-OH 3.4Å; P109-Y207 HydrophobicContact CB-CD1 4.05Å; P109-Y207 HydrophobicContact CB-CE1 3.99Å; P109-Y207 HydrophobicContact CG-CD1 3.59Å; P109-Y207 HydrophobicContact CG-CE1 3.77Å; P109-Y207 HydrophobicContact CG-CG 4.18Å; L112-Y207 HydrophobicContact CD2-CE1 4.3Å; L163-Y207 HydrophobicContact CD1-CG 4.32Å; L163-Y207 HydrophobicContact CD2-CD2 3.99Å; L163-Y207 HydrophobicContact CD2-CG 4.38Å; L163-Y207 HydrophobicContact CG-CD2 4.28Å; L163-Y207 HydrophobicContact CG-CG 4.2Å; A167-Y207 HydrophobicContact CB-CD1 3.3Å; A167-Y207 HydrophobicContact CB-CE1 3.67Å; A167-Y207 HydrophobicContact CB-CG 4.31Å; N203-Y207 PolarHBondContact O-N 3.28Å; G204-Y207 PolarHBondContact O-N 3.16Å; Y207-K210 PolarHBondContact O-N 3.42Å; Y207-W211 WeakPolarHBondContact O-CB 3.49Å; Y207-W211 PolarHBondContact O-N 2.92Å
208M94.8Very high91Very high0 Ų033.3 Ų33.30%019%0.185CC..Hα-helixtrans-63.8-41.8178.4-73.7-170.8-71.800112.4L163 G204 L205 K210 W211 L212 L232 V235 M236 V239L163-M208 HydrophobicContact CD1-CG 4.28Å; G204-M208 VanDerWaalsContact O-CB 3.32Å; G204-M208 WeakPolarHBondContact O-CB 3.39Å; G204-M208 WeakPolarHBondContact O-CE 3.4Å; G204-M208 VanDerWaalsContact O-CG 3.26Å; G204-M208 WeakPolarHBondContact O-CG 3.34Å; G204-M208 PolarHBondContact O-N 3.37Å; L205-M208 HydrophobicContact CD2-CE 4.03Å; L205-M208 HydrophobicContact CG-CE 4.48Å; M208-K210 VanDerWaalsContact C-N 3.35Å; M208-W211 PolarHBondContact O-N 2.86Å; M208-L212 WeakPolarHBondContact O-CB 3.47Å; M208-L212 PolarHBondContact O-N 3.02Å; M208-L232 HydrophobicContact CB-CD1 3.83Å; M208-L232 HydrophobicContact CG-CD1 3.57Å; M208-L232 HydrophobicContact SD-CD1 3.57Å; M208-L232 VanDerWaalsContact SD-CD1 3.57Å; M208-V235 HydrophobicContact CE-CG1 4.25Å; M208-V235 HydrophobicContact SD-CB 4.22Å; M208-V235 HydrophobicContact SD-CG1 3.63Å; M208-M236 HydrophobicContact CB-CE 4.03Å; M208-M236 HydrophobicContact CB-CG 4.12Å; M208-M236 HydrophobicContact CB-SD 4.12Å; M208-M236 HydrophobicContact CE-CG 4.12Å; M208-M236 HydrophobicContact SD-CG 3.9Å; M208-V239 HydrophobicContact CE-CG2 4.34Å
209T95.1Very high90.3Very high0 Ų041.2 Ų41.20%023%0.228CC..Hα-helixtrans-63.6-43.1176-570000110.6L205 T206 L212 D213 M236 H256 L257 V260L205-T209 WeakPolarHBondContact O-CB 3.49Å; L205-T209 PolarHBondContact O-N 2.72Å; L205-T209 PolarHBondContact O-OG1 3.1Å; T206-T209 PolarHBondContact O-N 2.99Å; T209-L212 PolarHBondContact O-N 3.22Å; T209-D213 WeakPolarHBondContact O-CB 3.03Å; T209-D213 PolarHBondContact O-N 3.26Å; T209-M236 WeakPolarHBondContact OG1-CE 3.35Å; T209-H256 HydrophobicContact CG2-CB 4.47Å; T209-L257 HydrophobicContact CG2-CB 4.22Å; T209-L257 HydrophobicContact CG2-CD1 4.39Å; T209-V260 HydrophobicContact CG2-CB 4.33Å; T209-V260 HydrophobicContact CG2-CG2 3.74Å
210K93Very high89.9Confident51 Ų5145 Ų4522%0.22226%0.256CS..Hα-helixtrans-65.6-41.5178.5-178.355-177148.60112.4P109 T206 Y207 M208 L212 D213 D214P109-K210 HydrophobicContact CB-CG 4.16Å; P109-K210 HydrophobicContact CG-CB 4.13Å; P109-K210 HydrophobicContact CG-CG 4.26Å; T206-K210 WeakPolarHBondContact O-CB 3.5Å; T206-K210 PolarHBondContact O-N 3.09Å; Y207-K210 PolarHBondContact O-N 3.42Å; M208-K210 VanDerWaalsContact C-N 3.35Å; K210-L212 VanDerWaalsContact C-N 3.32Å; K210-L212 PolarHBondContact O-N 3.43Å; K210-D213 IonicContact NZ-OD2 2.64Å; K210-D213 PolarHBondContact NZ-OD2 3.47Å; K210-D213 PolarHBondContact O-N 3.1Å; K210-D214 VanDerWaalsContact CE-OD1 3.23Å; K210-D214 WeakPolarHBondContact CE-OD1 3.5Å; K210-D214 IonicContact NZ-OD1 2.97Å; K210-D214 PolarHBondContact NZ-OD1 3.41Å; K210-D214 IonicContact NZ-OD2 3.86Å; K210-D214 WeakPolarHBondContact O-CB 3.48Å; K210-D214 PolarHBondContact O-N 2.98Å
211W93Very high89.7Confident22 Ų2241.8 Ų41.88%0.08324%0.241CC..Hα-helixtrans-60.2-44.5174.9-17992.5000111.3V166 Y207 M208 D213 D214 K215 I228 I229 L232V166-W211 HydrophobicContact CG1-CB 4.24Å; V166-W211 HydrophobicContact CG1-CD2 4.42Å; V166-W211 HydrophobicContact CG1-CG 3.85Å; Y207-W211 WeakPolarHBondContact O-CB 3.49Å; Y207-W211 PolarHBondContact O-N 2.92Å; M208-W211 PolarHBondContact O-N 2.86Å; W211-D213 VanDerWaalsContact C-N 3.35Å; W211-D213 PolarHBondContact O-N 3.3Å; W211-D214 PolarHBondContact O-N 3.31Å; W211-K215 HydrophobicContact CD2-CG 3.93Å; W211-K215 VanDerWaalsContact CE2-CE 3.42Å; W211-K215 HydrophobicContact CE3-CG 3.94Å; W211-K215 HydrophobicContact CH2-CD 4.42Å; W211-K215 HydrophobicContact CH2-CG 3.81Å; W211-K215 HydrophobicContact CZ2-CD 4.11Å; W211-K215 HydrophobicContact CZ2-CG 3.81Å; W211-K215 HydrophobicContact CZ3-CG 3.88Å; W211-K215 WeakPolarHBondContact O-CG 3.28Å; W211-K215 PolarHBondContact O-N 3.19Å; W211-I228 HydrophobicContact CH2-CB 4.19Å; W211-I228 HydrophobicContact CH2-CG2 3.39Å; W211-I228 HydrophobicContact CZ2-CG2 3.74Å; W211-I228 HydrophobicContact CZ3-CG2 4.42Å; W211-I229 HydrophobicContact CZ3-CG1 4.21Å; W211-L232 HydrophobicContact CD2-CD2 4.22Å; W211-L232 HydrophobicContact CE3-CD2 3.21Å; W211-L232 HydrophobicContact CZ3-CD2 3.46Å; W211-L232 VanDerWaalsContact CZ3-CD2 3.46Å
212L94.4Very high89.7Confident0 Ų038.7 Ų38.70%023%0.232CC..Hα-helixtrans-64.5-41.5179.7-177.259.5000111.5M208 T209 K210 K215 L216 I229 L232 L233 M236 V260 L264M208-L212 WeakPolarHBondContact O-CB 3.47Å; M208-L212 PolarHBondContact O-N 3.02Å; T209-L212 PolarHBondContact O-N 3.22Å; K210-L212 VanDerWaalsContact C-N 3.32Å; K210-L212 PolarHBondContact O-N 3.43Å; L212-K215 PolarHBondContact O-N 3.43Å; L212-L216 HydrophobicContact CG-CD1 4.32Å; L212-L216 VanDerWaalsContact O-CG 3.29Å; L212-L216 WeakPolarHBondContact O-CG 3.47Å; L212-L216 PolarHBondContact O-N 3.35Å; L212-I229 HydrophobicContact CD1-CB 4.43Å; L212-I229 HydrophobicContact CD1-CD1 4.42Å; L212-I229 HydrophobicContact CD1-CG1 3.97Å; L212-I229 HydrophobicContact CD1-CG2 3.83Å; L212-L232 HydrophobicContact CB-CD2 4.06Å; L212-L232 HydrophobicContact CD1-CD2 4.49Å; L212-L233 HydrophobicContact CD2-CD2 4.01Å; L212-M236 HydrophobicContact CD2-SD 4.46Å; L212-V260 HydrophobicContact CB-CG1 4.02Å; L212-V260 HydrophobicContact CD2-CG1 3.52Å; L212-V260 HydrophobicContact CG-CG1 3.5Å; L212-L264 HydrophobicContact CD1-CD1 4.37Å; L212-L264 HydrophobicContact CD1-CD2 4.41Å; L212-L264 HydrophobicContact CD2-CD1 3.89Å; L212-L264 HydrophobicContact CG-CD1 4.49Å
213D93.8Very high89.7Confident62 Ų6244.9 Ų44.933%0.33226%0.261SS..Hα-helixtrans-60.5-47.4173.4-174.146.1000111.9T209 K210 W211 K215 L216 G217 V260T209-D213 WeakPolarHBondContact O-CB 3.03Å; T209-D213 PolarHBondContact O-N 3.26Å; K210-D213 IonicContact NZ-OD2 2.64Å; K210-D213 PolarHBondContact NZ-OD2 3.47Å; K210-D213 PolarHBondContact O-N 3.1Å; W211-D213 VanDerWaalsContact C-N 3.35Å; W211-D213 PolarHBondContact O-N 3.3Å; D213-K215 PolarHBondContact O-N 3.44Å; D213-L216 PolarHBondContact O-N 3.47Å; D213-L216 VanDerWaalsContact O-N 3.15Å; D213-G217 PolarHBondContact O-N 3.44Å; D213-V260 HydrophobicContact CB-CG2 3.91Å
214D91.4Very high89.9Confident67 Ų6748.4 Ų48.436%0.35828%0.276SS..Hα-helixtrans-60.4-42.4177.7-77.9-13.6000111.6K113 K210 W211 L216 G217K113-D214 IonicContact NZ-OD2 3.46Å; K113-D214 PolarHBondContact NZ-OD2 3.15Å; K210-D214 VanDerWaalsContact CE-OD1 3.23Å; K210-D214 WeakPolarHBondContact CE-OD1 3.5Å; K210-D214 IonicContact NZ-OD1 2.97Å; K210-D214 PolarHBondContact NZ-OD1 3.41Å; K210-D214 IonicContact NZ-OD2 3.86Å; K210-D214 WeakPolarHBondContact O-CB 3.48Å; K210-D214 PolarHBondContact O-N 2.98Å; W211-D214 PolarHBondContact O-N 3.31Å; D214-L216 VanDerWaalsContact C-N 3.35Å; D214-L216 PolarHBondContact O-N 3.01Å; D214-G217 PolarHBondContact O-N 3.37Å
215K89.3Confident89.9Confident31 Ų3150 Ų5014%0.13528%0.283CS..Hα-helixtrans-68.2-32.1176.5-66.6-67.8-178168.40112.7E177 W211 L212 D213 G217 E218E177-K215 IonicContact OE1-NZ 2.99Å; E177-K215 PolarHBondContact OE1-NZ 3.45Å; E177-K215 IonicContact OE2-NZ 2.91Å; E177-K215 PolarHBondContact OE2-NZ 3.15Å; W211-K215 HydrophobicContact CD2-CG 3.93Å; W211-K215 VanDerWaalsContact CE2-CE 3.42Å; W211-K215 HydrophobicContact CE3-CG 3.94Å; W211-K215 HydrophobicContact CH2-CD 4.42Å; W211-K215 HydrophobicContact CH2-CG 3.81Å; W211-K215 HydrophobicContact CZ2-CD 4.11Å; W211-K215 HydrophobicContact CZ2-CG 3.81Å; W211-K215 HydrophobicContact CZ3-CG 3.88Å; W211-K215 WeakPolarHBondContact O-CG 3.28Å; W211-K215 PolarHBondContact O-N 3.19Å; L212-K215 PolarHBondContact O-N 3.43Å; D213-K215 PolarHBondContact O-N 3.44Å; K215-G217 VanDerWaalsContact C-N 3.28Å; K215-E218 WeakPolarHBondContact O-CB 3.41Å; K215-E218 PolarHBondContact O-N 2.91Å
216L89.9Confident90Very high14 Ų1450.4 Ų50.47%0.07329%0.285CS..Hα-helixtrans-73.4-21.5173.7-70.3169.2000113L212 D213 D214 E218 V260 E263 L264 R267 F268L212-L216 HydrophobicContact CG-CD1 4.32Å; L212-L216 VanDerWaalsContact O-CG 3.29Å; L212-L216 WeakPolarHBondContact O-CG 3.47Å; L212-L216 PolarHBondContact O-N 3.35Å; D213-L216 PolarHBondContact O-N 3.47Å; D213-L216 VanDerWaalsContact O-N 3.15Å; D214-L216 VanDerWaalsContact C-N 3.35Å; D214-L216 PolarHBondContact O-N 3.01Å; L216-E218 PolarHBondContact O-N 2.98Å; L216-V260 HydrophobicContact CD1-CG1 3.82Å; L216-E263 HydrophobicContact CD1-CB 4.25Å; L216-E263 HydrophobicContact CD1-CG 4.24Å; L216-L264 HydrophobicContact CD1-CD2 3.85Å; L216-L264 HydrophobicContact CD1-CG 3.9Å; L216-L264 HydrophobicContact CD2-CD2 3.59Å; L216-L264 HydrophobicContact CD2-CG 4.47Å; L216-L264 HydrophobicContact CG-CD2 4.2Å; L216-R267 PolarHBondContact O-NH1 2.98Å; L216-F268 HydrophobicContact CD2-CE2 4.09Å
217G87Confident90.2Very high64 Ų6450.7 Ų50.766%0.6629%0.285SS*.THydrogen-bonded Turntrans-68.7-13.2170.400000114.4D213 D214 K215D213-G217 PolarHBondContact O-N 3.44Å; D214-G217 PolarHBondContact O-N 3.37Å; K215-G217 VanDerWaalsContact C-N 3.28Å
218E87.2Confident90.3Very high63 Ų6350.7 Ų50.729%0.29429%0.285SS..SBendtrans-76.7136.9177.2-60-176.5-177.800111.4K215 L216 S220 Q225 R267K215-E218 WeakPolarHBondContact O-CB 3.41Å; K215-E218 PolarHBondContact O-N 2.91Å; L216-E218 PolarHBondContact O-N 2.98Å; E218-S220 VanDerWaalsContact C-N 3.29Å; E218-S220 PolarHBondContact O-N 3.35Å; E218-Q225 PolarHBondContact OE2-NE2 2.99Å; E218-R267 PolarHBondContact O-NH1 3.31Å; E218-R267 PolarHBondContact O-NH2 3.31Å
219D77.5Confident90.4Very high167 Ų16750.7 Ų50.789%0.89329%0.285SS*.SBendtrans-58.5-36.8-174.8-72.7-37.6000113.1R267D219-R267 PolarHBondContact O-NH2 2.95Å
220S79.2Confident90.5Very high93 Ų9351.2 Ų51.265%0.6529%0.289SS*.  trans-132.7123.5179.263.10000110.8E218E218-S220 VanDerWaalsContact C-N 3.29Å; E218-S220 PolarHBondContact O-N 3.35Å
221V83.2Confident90.7Very high24 Ų2449.7 Ų49.715%0.14528%0.282CS..  trans-96.4113.4172-177.60000108.6Q225 L226 I229 F268V221-Q225 VanDerWaalsContact CA-OE1 3.23Å; V221-Q225 HydrophobicContact CG1-CB 3.61Å; V221-L226 HydrophobicContact CB-CD2 4.25Å; V221-L226 HydrophobicContact CG1-CD2 3.51Å; V221-L226 HydrophobicContact CG1-CG 3.93Å; V221-I229 HydrophobicContact CG1-CD1 3.94Å; V221-F268 HydrophobicContact CB-CZ 4.43Å
222G88.6Confident90.9Very high36 Ų3648.6 Ų48.637%0.37128%0.278SS..  trans-74.2164.1178.200000113E224 Q225 L226G222-E224 VanDerWaalsContact C-N 3.28Å; G222-E224 PolarHBondContact O-N 3.35Å; G222-Q225 WeakPolarHBondContact O-CA 3.48Å; G222-Q225 WeakPolarHBondContact O-CB 3.3Å; G222-Q225 PolarHBondContact O-N 3.41Å; G222-L226 PolarHBondContact O-N 2.9Å
223E90.6Very high91.1Very high144 Ų14448.6 Ų48.667%0.67328%0.278SS*.Hα-helixtrans-58.1-37.8-179.3-67.7-172.1178.600113.5Q225 L226 N227E223-Q225 VanDerWaalsContact C-N 3.31Å; E223-Q225 PolarHBondContact O-N 3.24Å; E223-L226 PolarHBondContact O-N 3.01Å; E223-N227 PolarHBondContact O-N 3.13Å; E223-N227 VanDerWaalsContact O-N 3.1Å; E223-N227 PolarHBondContact O-ND2 2.81Å
224E91.4Very high91.3Very high130 Ų13048 Ų4861%0.60727%0.272SS*.Hα-helixtrans-62-41.2175.5-64.4-174168.100111.3C174 G222 N227 I228C174-E224 HydrophobicContact CB-CB 3.97Å; C174-E224 WeakPolarHBondContact CB-OE2 3.48Å; G222-E224 VanDerWaalsContact C-N 3.28Å; G222-E224 PolarHBondContact O-N 3.35Å; E224-N227 WeakPolarHBondContact O-CB 3.17Å; E224-N227 PolarHBondContact O-N 3.35Å; E224-I228 WeakPolarHBondContact O-CG1 3.3Å; E224-I228 PolarHBondContact O-N 3.24Å
225Q91.8Very high91.6Very high34 Ų3444.8 Ų44.816%0.15926%0.255CS..Hα-helixtrans-67.6-38.1176.7-65.8175.3-37.600111.7E218 V221 G222 E223 N227 I228 I229E218-Q225 PolarHBondContact OE2-NE2 2.99Å; V221-Q225 VanDerWaalsContact CA-OE1 3.23Å; V221-Q225 HydrophobicContact CG1-CB 3.61Å; G222-Q225 WeakPolarHBondContact O-CA 3.48Å; G222-Q225 WeakPolarHBondContact O-CB 3.3Å; G222-Q225 PolarHBondContact O-N 3.41Å; E223-Q225 VanDerWaalsContact C-N 3.31Å; E223-Q225 PolarHBondContact O-N 3.24Å; Q225-N227 VanDerWaalsContact C-N 3.27Å; Q225-N227 PolarHBondContact O-N 3.35Å; Q225-I228 PolarHBondContact O-N 3.44Å; Q225-I228 VanDerWaalsContact O-N 3.11Å; Q225-I229 WeakPolarHBondContact O-CG1 3.26Å; Q225-I229 PolarHBondContact O-N 3.06Å
226L94.8Very high91.9Very high10 Ų1043.3 Ų43.35%0.05225%0.249CC..Hα-helixtrans-60.2-37.9173.5-63.2177.3000111.8V221 G222 E223 I228 I229 C230 F268 K275 V279V221-L226 HydrophobicContact CB-CD2 4.25Å; V221-L226 HydrophobicContact CG1-CD2 3.51Å; V221-L226 HydrophobicContact CG1-CG 3.93Å; G222-L226 PolarHBondContact O-N 2.9Å; E223-L226 PolarHBondContact O-N 3.01Å; L226-I228 VanDerWaalsContact C-N 3.34Å; L226-I228 PolarHBondContact O-N 3.16Å; L226-I229 PolarHBondContact O-N 3.18Å; L226-C230 WeakPolarHBondContact O-CB 3.49Å; L226-C230 PolarHBondContact O-N 3.46Å; L226-C230 PolarHBondContact O-SG 2.94Å; L226-C230 VanDerWaalsContact O-SG 3.35Å; L226-F268 HydrophobicContact CD2-CD1 4.36Å; L226-F268 HydrophobicContact CD2-CE1 3.51Å; L226-F268 HydrophobicContact CD2-CE2 4.25Å; L226-F268 HydrophobicContact CD2-CZ 3.44Å; L226-F268 VanDerWaalsContact CD2-CZ 3.44Å; L226-K275 HydrophobicContact CB-CB 4.48Å; L226-K275 HydrophobicContact CD1-CB 3.75Å; L226-V279 HydrophobicContact CB-CG2 4.42Å; L226-V279 HydrophobicContact CD2-CG2 4.1Å
227N95.1Very high92.2Very high51 Ų5145.9 Ų45.927%0.27326%0.26SS..Hα-helixtrans-64.2-39.4175-65-43000111.8Y178 E223 E224 Q225 C230 E231 K275Y178-N227 HydrophobicContact CD2-CB 4.27Å; Y178-N227 HydrophobicContact CE2-CB 4.28Å; E223-N227 PolarHBondContact O-N 3.13Å; E223-N227 VanDerWaalsContact O-N 3.1Å; E223-N227 PolarHBondContact O-ND2 2.81Å; E224-N227 WeakPolarHBondContact O-CB 3.17Å; E224-N227 PolarHBondContact O-N 3.35Å; Q225-N227 VanDerWaalsContact C-N 3.27Å; Q225-N227 PolarHBondContact O-N 3.35Å; N227-C230 PolarHBondContact O-N 2.89Å; N227-E231 PolarHBondContact O-N 3.03Å; N227-K275 PolarHBondContact OD1-NZ 3.47Å
228I95.3Very high92.7Very high1 Ų143.9 Ų43.91%0.00523%0.234CC..Hα-helixtrans-66.7-44.2177.1-57.9162.3000110.4C174 E177 Y178 M181 W211 E224 Q225 L226 C230 E231 L232C174-I228 HydrophobicContact CB-CD1 3.96Å; E177-I228 HydrophobicContact CB-CD1 3.75Å; E177-I228 HydrophobicContact CB-CG1 4.38Å; E177-I228 HydrophobicContact CB-CG2 4.21Å; E177-I228 WeakPolarHBondContact OE2-CD1 3.34Å; Y178-I228 HydrophobicContact CD2-CG1 4.49Å; M181-I228 HydrophobicContact CG-CG2 3.69Å; W211-I228 HydrophobicContact CH2-CB 4.19Å; W211-I228 HydrophobicContact CH2-CG2 3.39Å; W211-I228 HydrophobicContact CZ2-CG2 3.74Å; W211-I228 HydrophobicContact CZ3-CG2 4.42Å; E224-I228 WeakPolarHBondContact O-CG1 3.3Å; E224-I228 PolarHBondContact O-N 3.24Å; Q225-I228 PolarHBondContact O-N 3.44Å; Q225-I228 VanDerWaalsContact O-N 3.11Å; L226-I228 VanDerWaalsContact C-N 3.34Å; L226-I228 PolarHBondContact O-N 3.16Å; I228-C230 VanDerWaalsContact C-N 3.31Å; I228-C230 PolarHBondContact O-N 2.99Å; I228-E231 PolarHBondContact O-N 3.03Å; I228-L232 WeakPolarHBondContact O-CB 3.16Å; I228-L232 PolarHBondContact O-N 3.24Å
229I96.2Very high92.9Very high1 Ų140.9 Ų40.91%0.00522%0.22CC..Hα-helixtrans-57.2-45.7174.8-70169000110.5W211 L212 V221 Q225 L226 E231 L232 L233 L264 V279W211-I229 HydrophobicContact CZ3-CG1 4.21Å; L212-I229 HydrophobicContact CD1-CB 4.43Å; L212-I229 HydrophobicContact CD1-CD1 4.42Å; L212-I229 HydrophobicContact CD1-CG1 3.97Å; L212-I229 HydrophobicContact CD1-CG2 3.83Å; V221-I229 HydrophobicContact CG1-CD1 3.94Å; Q225-I229 WeakPolarHBondContact O-CG1 3.26Å; Q225-I229 PolarHBondContact O-N 3.06Å; L226-I229 PolarHBondContact O-N 3.18Å; I229-E231 PolarHBondContact O-N 2.92Å; I229-L232 PolarHBondContact O-N 3.32Å; I229-L233 HydrophobicContact CG2-CD1 3.87Å; I229-L233 HydrophobicContact CG2-CG 4.24Å; I229-L233 WeakPolarHBondContact O-CB 3.32Å; I229-L233 VanDerWaalsContact O-CG 3.26Å; I229-L233 WeakPolarHBondContact O-CG 3.01Å; I229-L233 PolarHBondContact O-N 3.36Å; I229-L264 HydrophobicContact CG2-CD2 4.23Å; I229-V279 HydrophobicContact CG2-CG1 4.27Å; I229-V279 HydrophobicContact CG2-CG2 4.39Å
230C97.7Very high93.6Very high10 Ų1033 Ų337%0.06818%0.178CC..Hα-helixtrans-59.6-45.5176.7-76.50000112.5L226 N227 I228 L233 K234 V279L226-C230 WeakPolarHBondContact O-CB 3.49Å; L226-C230 PolarHBondContact O-N 3.46Å; L226-C230 PolarHBondContact O-SG 2.94Å; L226-C230 VanDerWaalsContact O-SG 3.35Å; N227-C230 PolarHBondContact O-N 2.89Å; I228-C230 VanDerWaalsContact C-N 3.31Å; I228-C230 PolarHBondContact O-N 2.99Å; C230-L233 PolarHBondContact O-N 2.87Å; C230-K234 WeakPolarHBondContact O-CG 3.19Å; C230-K234 PolarHBondContact O-N 3.37Å; C230-V279 VanDerWaalsContact SG-CG2 3.6Å
231E97.3Very high94.1Very high19 Ų1931 Ų319%0.08916%0.164CC..Hα-helixtrans-63.7-42.8176.2-66.7-54139.600111.7Y178 M181 N227 I228 I229 L233 K234 V235Y178-E231 HydrophobicContact CD2-CG 3.98Å; Y178-E231 HydrophobicContact CE2-CG 3.48Å; Y178-E231 VanDerWaalsContact CE2-CG 3.48Å; M181-E231 HydrophobicContact CB-CB 3.52Å; M181-E231 HydrophobicContact CG-CB 4.46Å; N227-E231 PolarHBondContact O-N 3.03Å; I228-E231 PolarHBondContact O-N 3.03Å; I229-E231 PolarHBondContact O-N 2.92Å; E231-L233 PolarHBondContact O-N 2.57Å; E231-K234 WeakPolarHBondContact O-CB 3.48Å; E231-K234 PolarHBondContact O-N 3.48Å; E231-K234 VanDerWaalsContact O-N 3.16Å; E231-K234 IonicContact OE1-NZ 3.81Å; E231-K234 PolarHBondContact OE1-NZ 2.8Å; E231-K234 IonicContact OE2-NZ 2.73Å; E231-K234 PolarHBondContact OE2-NZ 2.87Å; E231-V235 WeakPolarHBondContact O-CG2 3.17Å; E231-V235 PolarHBondContact O-N 2.9Å
232L97.5Very high93.6Very high0 Ų032.2 Ų32.20%018%0.177CC..Hα-helixtrans-59.5-46.1176.2178.665.9000112M181 M208 W211 L212 I228 I229 K234 V235 M236M181-L232 HydrophobicContact CG-CB 4.37Å; M181-L232 HydrophobicContact SD-CB 3.8Å; M181-L232 HydrophobicContact SD-CD1 3.5Å; M181-L232 WeakPolarHBondContact SD-CD1 3.32Å; M181-L232 HydrophobicContact SD-CG 4.21Å; M208-L232 HydrophobicContact CB-CD1 3.83Å; M208-L232 HydrophobicContact CG-CD1 3.57Å; M208-L232 HydrophobicContact SD-CD1 3.57Å; M208-L232 VanDerWaalsContact SD-CD1 3.57Å; W211-L232 HydrophobicContact CD2-CD2 4.22Å; W211-L232 HydrophobicContact CE3-CD2 3.21Å; W211-L232 HydrophobicContact CZ3-CD2 3.46Å; W211-L232 VanDerWaalsContact CZ3-CD2 3.46Å; L212-L232 HydrophobicContact CB-CD2 4.06Å; L212-L232 HydrophobicContact CD1-CD2 4.49Å; I228-L232 WeakPolarHBondContact O-CB 3.16Å; I228-L232 PolarHBondContact O-N 3.24Å; I229-L232 PolarHBondContact O-N 3.32Å; L232-K234 PolarHBondContact O-N 2.99Å; L232-V235 WeakPolarHBondContact O-CA 3.32Å; L232-V235 WeakPolarHBondContact O-CB 3.44Å; L232-V235 PolarHBondContact O-N 3.47Å; L232-M236 HydrophobicContact CD1-CG 4.34Å; L232-M236 HydrophobicContact CD1-SD 4.46Å; L232-M236 HydrophobicContact CD2-SD 4.4Å; L232-M236 HydrophobicContact CG-CG 4.34Å; L232-M236 HydrophobicContact CG-SD 4.02Å; L232-M236 WeakPolarHBondContact O-CG 3.4Å; L232-M236 PolarHBondContact O-N 3.36Å
233L98.2Very high92.4Very high0 Ų033.4 Ų33.40%018%0.177CC..Hα-helixtrans-60.6-33.7178.5-70.6171.4000111.7L212 I229 C230 E231 M236 F237 L261 L264 V279 H282 L286L212-L233 HydrophobicContact CD2-CD2 4.01Å; I229-L233 HydrophobicContact CG2-CD1 3.87Å; I229-L233 HydrophobicContact CG2-CG 4.24Å; I229-L233 WeakPolarHBondContact O-CB 3.32Å; I229-L233 VanDerWaalsContact O-CG 3.26Å; I229-L233 WeakPolarHBondContact O-CG 3.01Å; I229-L233 PolarHBondContact O-N 3.36Å; C230-L233 PolarHBondContact O-N 2.87Å; E231-L233 PolarHBondContact O-N 2.57Å; L233-M236 PolarHBondContact O-N 2.95Å; L233-F237 WeakPolarHBondContact O-CB 3.34Å; L233-F237 PolarHBondContact O-N 3.4Å; L233-L261 HydrophobicContact CD2-CD2 3.91Å; L233-L264 HydrophobicContact CD1-CD1 3.99Å; L233-L264 HydrophobicContact CD2-CD1 3.92Å; L233-L264 HydrophobicContact CG-CD1 4.47Å; L233-V279 HydrophobicContact CD1-CG1 4.39Å; L233-H282 HydrophobicContact CB-CB 3.73Å; L233-H282 HydrophobicContact CD1-CB 3.78Å; L233-H282 HydrophobicContact CG-CB 4.42Å; L233-L286 HydrophobicContact CD2-CD2 4.05Å
234K98Very high91Very high48 Ų4831 Ų3121%0.20917%0.17CC..Hα-helixtrans-66.6-41.9172.2-62.4167.2-166.2173.90111.9F185 C230 E231 L232 M236 F237 N238 H282F185-K234 HydrophobicContact CD2-CB 3.48Å; F185-K234 VanDerWaalsContact CD2-CB 3.48Å; F185-K234 HydrophobicContact CD2-CD 4.27Å; F185-K234 HydrophobicContact CD2-CG 4.47Å; F185-K234 HydrophobicContact CE2-CB 3.71Å; F185-K234 HydrophobicContact CE2-CD 4.16Å; F185-K234 HydrophobicContact CE2-CG 4.38Å; F185-K234 HydrophobicContact CG-CB 4.33Å; F185-K234 HydrophobicContact CZ-CD 4.42Å; C230-K234 WeakPolarHBondContact O-CG 3.19Å; C230-K234 PolarHBondContact O-N 3.37Å; E231-K234 WeakPolarHBondContact O-CB 3.48Å; E231-K234 PolarHBondContact O-N 3.48Å; E231-K234 VanDerWaalsContact O-N 3.16Å; E231-K234 IonicContact OE1-NZ 3.81Å; E231-K234 PolarHBondContact OE1-NZ 2.8Å; E231-K234 IonicContact OE2-NZ 2.73Å; E231-K234 PolarHBondContact OE2-NZ 2.87Å; L232-K234 PolarHBondContact O-N 2.99Å; K234-M236 VanDerWaalsContact C-N 3.35Å; K234-F237 PolarHBondContact O-N 3.45Å; K234-N238 PolarHBondContact O-N 3.35Å; K234-H282 WeakPolarHBondContact CE-CE1 3.26Å; K234-H282 WeakPolarHBondContact CE-NE2 3.4Å
235V97.4Very high89.2Confident0 Ų034.6 Ų34.60%018%0.183CC..Hα-helixtrans-58-50.2173.7-178.20000109.9L184 F185 T188 M208 E231 L232 F237 N238 V239L184-V235 HydrophobicContact CB-CG1 4.07Å; L184-V235 HydrophobicContact CB-CG2 3.78Å; F185-V235 HydrophobicContact CB-CG2 3.87Å; T188-V235 HydrophobicContact CG2-CG1 4.2Å; M208-V235 HydrophobicContact CE-CG1 4.25Å; M208-V235 HydrophobicContact SD-CB 4.22Å; M208-V235 HydrophobicContact SD-CG1 3.63Å; E231-V235 WeakPolarHBondContact O-CG2 3.17Å; E231-V235 PolarHBondContact O-N 2.9Å; L232-V235 WeakPolarHBondContact O-CA 3.32Å; L232-V235 WeakPolarHBondContact O-CB 3.44Å; L232-V235 PolarHBondContact O-N 3.47Å; V235-F237 VanDerWaalsContact C-N 3.3Å; V235-F237 PolarHBondContact O-N 2.89Å; V235-N238 PolarHBondContact O-N 2.79Å; V235-N238 VanDerWaalsContact O-N 3.16Å; V235-V239 HydrophobicContact CG1-CG2 4.35Å; V235-V239 WeakPolarHBondContact O-CG2 3.49Å; V235-V239 PolarHBondContact O-N 2.9Å
236M96.3Very high87.5Confident0 Ų036 Ų360%020%0.197CC..Hα-helixtrans-62.7-36.7-179.8-63.1178.387.700112L205 M208 T209 L212 L232 L233 K234 V239 T240 L257 L286L205-M236 HydrophobicContact CD2-CB 4.31Å; L205-M236 HydrophobicContact CD2-CE 4.24Å; L205-M236 HydrophobicContact CD2-CG 4.37Å; M208-M236 HydrophobicContact CB-CE 4.03Å; M208-M236 HydrophobicContact CB-CG 4.12Å; M208-M236 HydrophobicContact CB-SD 4.12Å; M208-M236 HydrophobicContact CE-CG 4.12Å; M208-M236 HydrophobicContact SD-CG 3.9Å; T209-M236 WeakPolarHBondContact OG1-CE 3.35Å; L212-M236 HydrophobicContact CD2-SD 4.46Å; L232-M236 HydrophobicContact CD1-CG 4.34Å; L232-M236 HydrophobicContact CD1-SD 4.46Å; L232-M236 HydrophobicContact CD2-SD 4.4Å; L232-M236 HydrophobicContact CG-CG 4.34Å; L232-M236 HydrophobicContact CG-SD 4.02Å; L232-M236 WeakPolarHBondContact O-CG 3.4Å; L232-M236 PolarHBondContact O-N 3.36Å; L233-M236 PolarHBondContact O-N 2.95Å; K234-M236 VanDerWaalsContact C-N 3.35Å; M236-V239 PolarHBondContact O-N 3.3Å; M236-T240 WeakPolarHBondContact O-CB 3.37Å; M236-T240 VanDerWaalsContact O-CG2 3.29Å; M236-T240 WeakPolarHBondContact O-CG2 3.43Å; M236-T240 PolarHBondContact O-N 2.95Å; M236-T240 PolarHBondContact O-OG1 3.35Å; M236-L257 HydrophobicContact CE-CD1 3.31Å; M236-L257 HydrophobicContact CE-CD2 4.05Å; M236-L257 HydrophobicContact CE-CG 4.29Å; M236-L257 HydrophobicContact SD-CD1 4.39Å; M236-L286 HydrophobicContact CB-CD1 4.17Å; M236-L286 HydrophobicContact CB-CD2 3.62Å; M236-L286 HydrophobicContact SD-CD2 4.3Å
237F96.7Very high85.8Confident68 Ų6840.2 Ų40.230%0.29822%0.224SC..Hα-helixtrans-61.4-48.5172.6175.2-96.5000111.6L233 K234 V235 V239 T240 S241 N285 L286 N289L233-F237 WeakPolarHBondContact O-CB 3.34Å; L233-F237 PolarHBondContact O-N 3.4Å; K234-F237 PolarHBondContact O-N 3.45Å; V235-F237 VanDerWaalsContact C-N 3.3Å; V235-F237 PolarHBondContact O-N 2.89Å; F237-V239 VanDerWaalsContact C-N 3.34Å; F237-V239 PolarHBondContact O-N 2.6Å; F237-T240 PolarHBondContact O-N 3.25Å; F237-T240 PolarHBondContact O-OG1 3.29Å; F237-T240 VanDerWaalsContact O-OG1 3.11Å; F237-S241 WeakPolarHBondContact O-CB 3.35Å; F237-S241 PolarHBondContact O-N 2.99Å; F237-S241 PolarHBondContact O-OG 3.35Å; F237-N285 HydrophobicContact CD2-CB 4.25Å; F237-N285 WeakPolarHBondContact CD2-O 3.44Å; F237-N285 HydrophobicContact CE2-CB 4.45Å; F237-N285 WeakPolarHBondContact CE2-O 3.33Å; F237-L286 HydrophobicContact CB-CD1 4.39Å; F237-N289 VanDerWaalsContact CD2-ND2 3.35Å; F237-N289 WeakPolarHBondContact CD2-ND2 3.38Å; F237-N289 WeakPolarHBondContact CE2-ND2 3.47Å; F237-N289 PolarHBondContact O-ND2 2.84Å; F237-N289 VanDerWaalsContact O-ND2 3.16Å
238N95.8Very high84Confident22 Ų2243.7 Ų43.712%0.11824%0.243CC..Hα-helixtrans-59.7-45.9178.4-69.8-17.6000111.5F185 T188 A189 R195 K234 V235 T240 S241F185-N238 WeakPolarHBondContact CD2-ND2 3.47Å; T188-N238 PolarHBondContact OG1-ND2 3.39Å; T188-N238 VanDerWaalsContact OG1-ND2 3.12Å; A189-N238 PolarHBondContact N-ND2 3.21Å; R195-N238 WeakPolarHBondContact CD-O 3.22Å; K234-N238 PolarHBondContact O-N 3.35Å; V235-N238 PolarHBondContact O-N 2.79Å; V235-N238 VanDerWaalsContact O-N 3.16Å; N238-T240 VanDerWaalsContact C-N 3.33Å; N238-T240 PolarHBondContact O-N 2.98Å; N238-S241 PolarHBondContact O-N 3.48Å
239V93.2Very high82.5Confident0 Ų050.6 Ų50.60%028%0.275CS..Hα-helixtrans-63.7-37.6-179.6175.60000111.6T188 L198 Q199 L205 M208 V235 M236 F237T188-V239 HydrophobicContact CG2-CG2 3.95Å; L198-V239 HydrophobicContact CB-CG2 4.16Å; L198-V239 HydrophobicContact CD1-CG2 4.01Å; Q199-V239 HydrophobicContact CB-CG1 3.87Å; Q199-V239 HydrophobicContact CG-CG1 4.36Å; L205-V239 HydrophobicContact CD1-CG1 4.05Å; L205-V239 HydrophobicContact CD2-CB 4.35Å; L205-V239 HydrophobicContact CD2-CG1 4.03Å; L205-V239 HydrophobicContact CG-CG1 3.8Å; M208-V239 HydrophobicContact CE-CG2 4.34Å; V235-V239 HydrophobicContact CG1-CG2 4.35Å; V235-V239 WeakPolarHBondContact O-CG2 3.49Å; V235-V239 PolarHBondContact O-N 2.9Å; M236-V239 PolarHBondContact O-N 3.3Å; F237-V239 VanDerWaalsContact C-N 3.34Å; F237-V239 PolarHBondContact O-N 2.6Å
240T92.2Very high81.6Confident3 Ų352.6 Ų52.62%0.01828%0.283CS..Hα-helixtrans-84.6-9.1-179.354.40000114.6L205 M236 F237 N238 A242 L286 N289L205-T240 HydrophobicContact CD1-CG2 3.82Å; L205-T240 HydrophobicContact CD2-CG2 3.92Å; M236-T240 WeakPolarHBondContact O-CB 3.37Å; M236-T240 VanDerWaalsContact O-CG2 3.29Å; M236-T240 WeakPolarHBondContact O-CG2 3.43Å; M236-T240 PolarHBondContact O-N 2.95Å; M236-T240 PolarHBondContact O-OG1 3.35Å; F237-T240 PolarHBondContact O-N 3.25Å; F237-T240 PolarHBondContact O-OG1 3.29Å; F237-T240 VanDerWaalsContact O-OG1 3.11Å; N238-T240 VanDerWaalsContact C-N 3.33Å; N238-T240 PolarHBondContact O-N 2.98Å; T240-A242 VanDerWaalsContact C-N 3.3Å; T240-A242 PolarHBondContact O-N 2.76Å; T240-L286 HydrophobicContact CG2-CD1 4.1Å; T240-L286 WeakPolarHBondContact OG1-CD1 3.34Å; T240-N289 WeakPolarHBondContact OG1-CB 3.32Å; T240-N289 PolarHBondContact OG1-ND2 2.68Å
241S87.9Confident81Confident50 Ų5056 Ų5635%0.3530%0.298SS..THydrogen-bonded Turntrans-72.5-18.4-174.3-67.60000114.5F237 N238 N289F237-S241 WeakPolarHBondContact O-CB 3.35Å; F237-S241 PolarHBondContact O-N 2.99Å; F237-S241 PolarHBondContact O-OG 3.35Å; N238-S241 PolarHBondContact O-N 3.48Å; S241-N289 PolarHBondContact N-ND2 2.89Å; S241-N289 PolarHBondContact OG-ND2 3.44Å
242A73.9Confident80.5Confident50 Ų5061.1 Ų61.141%0.41333%0.325SS..SBendtrans-143.671.6-179.500000110.6T240 D244T240-A242 VanDerWaalsContact C-N 3.3Å; T240-A242 PolarHBondContact O-N 2.76Å; A242-D244 PolarHBondContact O-N 3.18Å; A242-D244 VanDerWaalsContact O-N 3.09Å
243P63.8Low80Confident60 Ų6062.3 Ų62.339%0.3933%0.33SS..  trans-68112.7-175.627.2-32.4000110.6
244D60.2Low79.7Confident95 Ų9562.5 Ų62.551%0.50833%0.332SS..  trans-73.4124.8161.7-90.8-34.1000108.1S196 I200 A242 S246S196-D244 PolarHBondContact OG-OD2 3.16Å; I200-D244 HydrophobicContact CD1-CB 3.68Å; A242-D244 PolarHBondContact O-N 3.18Å; A242-D244 VanDerWaalsContact O-N 3.09Å; D244-S246 PolarHBondContact O-N 3.4Å
245K55Low79.5Confident204 Ų20463 Ų6389%0.88734%0.336SS*.  trans-80.2109.8-151.3-60170.1-178.4174.30113.3
246S54.2Low79.3Confident64 Ų6466.8 Ų66.845%0.44835%0.354SS..  trans-122.611714477.20000108.6D244 Y250D244-S246 PolarHBondContact O-N 3.4Å; S246-Y250 WeakPolarHBondContact O-CB 3.22Å
247P59.3Low79.3Confident98 Ų9866.9 Ų66.964%0.63635%0.354SS*.Hα-helixtrans-70.1-41.7-165.8-22.733.2000115.6E251P247-E251 WeakPolarHBondContact O-CB 3.29Å; P247-E251 PolarHBondContact O-N 2.88Å
248N57.9Low79.3Confident124 Ų12463.7 Ų63.766%0.66334%0.34SS*.Hα-helixtrans-85-47.5-161.4-67.3-0.9000114.1Y250 E251 I252N248-Y250 VanDerWaalsContact C-N 3.29Å; N248-Y250 PolarHBondContact O-N 3.29Å; N248-E251 PolarHBondContact O-N 3.39Å; N248-I252 PolarHBondContact O-N 2.96Å
249E64.5Low79.4Confident146 Ų14663.2 Ų63.268%0.68234%0.341SS*.Hα-helixtrans-66-37.5177.5-71.5177.2175.600110.9E251 I252 Q253E249-E251 VanDerWaalsContact C-N 3.28Å; E249-E251 PolarHBondContact O-N 3.18Å; E249-I252 PolarHBondContact O-N 2.59Å; E249-Q253 WeakPolarHBondContact O-CB 3.39Å; E249-Q253 PolarHBondContact O-N 3.3Å
250Y76.9Confident79.6Confident43 Ų4363.4 Ų63.417%0.16934%0.342CS..Hα-helixtrans-61.8-34.5174.1-173.4-104.4000112.5L205 S246 N248 S254L205-Y250 HydrophobicContact CD1-CE2 4.06Å; S246-Y250 WeakPolarHBondContact O-CB 3.22Å; N248-Y250 VanDerWaalsContact C-N 3.29Å; N248-Y250 PolarHBondContact O-N 3.29Å; Y250-S254 WeakPolarHBondContact O-CB 3.32Å; Y250-S254 PolarHBondContact O-N 2.97Å; Y250-S254 PolarHBondContact O-OG 3.4Å
251E84.2Confident79.9Confident81 Ų8163.2 Ų63.238%0.37934%0.341SS..Hα-helixtrans-69.7-45.4179-172.4164.4-147.500112.4P247 N248 E249 Q253 S254 L255 S293P247-E251 WeakPolarHBondContact O-CB 3.29Å; P247-E251 PolarHBondContact O-N 2.88Å; N248-E251 PolarHBondContact O-N 3.39Å; E249-E251 VanDerWaalsContact C-N 3.28Å; E249-E251 PolarHBondContact O-N 3.18Å; E251-Q253 VanDerWaalsContact C-N 3.35Å; E251-Q253 PolarHBondContact O-N 3.17Å; E251-S254 WeakPolarHBondContact O-CB 3.33Å; E251-S254 PolarHBondContact O-N 3.35Å; E251-L255 WeakPolarHBondContact O-CG 3.42Å; E251-L255 PolarHBondContact O-N 2.87Å; E251-S293 PolarHBondContact OE1-OG 3.17Å
252I86.6Confident80.3Confident127 Ų12762.9 Ų62.965%0.65133%0.332SS*.Hα-helixtrans-61.2-45.8176.9-66.5169.2000110.8N248 E249 S254 L255 H256N248-I252 PolarHBondContact O-N 2.96Å; E249-I252 PolarHBondContact O-N 2.59Å; I252-S254 VanDerWaalsContact C-N 3.31Å; I252-S254 PolarHBondContact O-N 3.06Å; I252-L255 WeakPolarHBondContact O-CB 3.37Å; I252-L255 PolarHBondContact O-N 3.36Å; I252-H256 PolarHBondContact O-N 2.92Å; I252-H256 VanDerWaalsContact O-N 3.11Å
253Q88.6Confident81.4Confident26 Ų2664.5 Ų64.512%0.12133%0.331CS..Hα-helixtrans-61.7-40.7175.9-176.4-173.36800111.5L205 T206 E249 E251 H256 L257L205-Q253 HydrophobicContact CB-CG 4.09Å; L205-Q253 VanDerWaalsContact CB-NE2 3.33Å; L205-Q253 VanDerWaalsContact CB-OE1 3.31Å; T206-Q253 PolarHBondContact OG1-NE2 2.94Å; E249-Q253 WeakPolarHBondContact O-CB 3.39Å; E249-Q253 PolarHBondContact O-N 3.3Å; E251-Q253 VanDerWaalsContact C-N 3.35Å; E251-Q253 PolarHBondContact O-N 3.17Å; Q253-H256 PolarHBondContact O-N 2.7Å; Q253-L257 WeakPolarHBondContact O-CB 3.36Å; Q253-L257 PolarHBondContact O-N 3.35Å
254S91.3Very high83Confident4 Ų461.6 Ų61.63%0.02831%0.312CS..Hα-helixtrans-65.9-35.7176.7-66.40000112.6Y250 E251 I252 T258 C294Y250-S254 WeakPolarHBondContact O-CB 3.32Å; Y250-S254 PolarHBondContact O-N 2.97Å; Y250-S254 PolarHBondContact O-OG 3.4Å; E251-S254 WeakPolarHBondContact O-CB 3.33Å; E251-S254 PolarHBondContact O-N 3.35Å; I252-S254 VanDerWaalsContact C-N 3.31Å; I252-S254 PolarHBondContact O-N 3.06Å; S254-T258 WeakPolarHBondContact O-CB 3.35Å; S254-T258 PolarHBondContact O-N 3.24Å; S254-T258 PolarHBondContact O-OG1 3.49Å; S254-C294 VanDerWaalsContact CB-SG 3.54Å
255L93.7Very high84.8Confident58 Ų5857.1 Ų57.130%0.30429%0.288SS..Hα-helixtrans-63-47.8173.4-73.3167.5000110.9E251 I252 T258 G259 C294 E297E251-L255 WeakPolarHBondContact O-CG 3.42Å; E251-L255 PolarHBondContact O-N 2.87Å; I252-L255 WeakPolarHBondContact O-CB 3.37Å; I252-L255 PolarHBondContact O-N 3.36Å; L255-T258 PolarHBondContact O-N 2.86Å; L255-G259 PolarHBondContact O-N 3.27Å; L255-C294 HydrophobicContact CD2-CB 4.18Å; L255-E297 HydrophobicContact CD2-CG 3.52Å
256H93.9Very high86.7Confident79 Ų7948.8 Ų48.837%0.36625%0.253SS..Hα-helixtrans-60.3-48.2176.7-177.8-157.8000111.4T209 I252 Q253 T258 G259 V260T209-H256 HydrophobicContact CG2-CB 4.47Å; I252-H256 PolarHBondContact O-N 2.92Å; I252-H256 VanDerWaalsContact O-N 3.11Å; Q253-H256 PolarHBondContact O-N 2.7Å; H256-T258 VanDerWaalsContact C-N 3.29Å; H256-T258 PolarHBondContact O-N 2.91Å; H256-G259 WeakPolarHBondContact O-CA 3.46Å; H256-G259 PolarHBondContact O-N 2.9Å; H256-V260 PolarHBondContact O-N 3.31Å
257L96Very high88.6Confident3 Ų349.1 Ų49.12%0.01625%0.245CC..Hα-helixtrans-56.9-43.1175.7176.253.6000112T209 M236 Q253 G259 V260 L261 L286 I290T209-L257 HydrophobicContact CG2-CB 4.22Å; T209-L257 HydrophobicContact CG2-CD1 4.39Å; M236-L257 HydrophobicContact CE-CD1 3.31Å; M236-L257 HydrophobicContact CE-CD2 4.05Å; M236-L257 HydrophobicContact CE-CG 4.29Å; M236-L257 HydrophobicContact SD-CD1 4.39Å; Q253-L257 WeakPolarHBondContact O-CB 3.36Å; Q253-L257 PolarHBondContact O-N 3.35Å; L257-G259 VanDerWaalsContact C-N 3.28Å; L257-G259 PolarHBondContact O-N 2.87Å; L257-V260 PolarHBondContact O-N 3.42Å; L257-L261 HydrophobicContact CD1-CD1 4.21Å; L257-L261 HydrophobicContact CD1-CG 4.05Å; L257-L261 HydrophobicContact CG-CD1 4.1Å; L257-L261 HydrophobicContact CG-CG 4.41Å; L257-L261 WeakPolarHBondContact O-CB 3.4Å; L257-L261 WeakPolarHBondContact O-CG 3.42Å; L257-L261 PolarHBondContact O-N 3.47Å; L257-L286 HydrophobicContact CD1-CD2 4.07Å; L257-L286 HydrophobicContact CD2-CD2 4.18Å; L257-L286 HydrophobicContact CD2-CG 4.5Å; L257-L286 HydrophobicContact CG-CD2 4.49Å; L257-I290 HydrophobicContact CD2-CD1 3.89Å; L257-I290 HydrophobicContact CG-CD1 4.3Å
258T97.1Very high90.4Very high0 Ų045.1 Ų45.10%022%0.217CC..Hα-helixtrans-63.3-37.2177.3-51.50000111.6S254 L255 H256 L261 R262 L287 I290 C294 E297 L298S254-T258 WeakPolarHBondContact O-CB 3.35Å; S254-T258 PolarHBondContact O-N 3.24Å; S254-T258 PolarHBondContact O-OG1 3.49Å; L255-T258 PolarHBondContact O-N 2.86Å; H256-T258 VanDerWaalsContact C-N 3.29Å; H256-T258 PolarHBondContact O-N 2.91Å; T258-L261 PolarHBondContact O-N 2.88Å; T258-R262 WeakPolarHBondContact O-CB 3.49Å; T258-R262 PolarHBondContact O-N 3.22Å; T258-L287 HydrophobicContact CG2-CD2 4.4Å; T258-I290 VanDerWaalsContact OG1-CG2 3.28Å; T258-I290 WeakPolarHBondContact OG1-CG2 3.21Å; T258-C294 WeakPolarHBondContact CG2-O 3.39Å; T258-E297 HydrophobicContact CG2-CB 3.91Å; T258-L298 HydrophobicContact CG2-CD2 3.97Å; T258-L298 HydrophobicContact CG2-CG 4.02Å
259G96.7Very high92.1Very high13 Ų1339.3 Ų39.313%0.13419%0.186CC..Hα-helixtrans-61.9-41.1173.100000113.4L255 H256 L257 R262 E263L255-G259 PolarHBondContact O-N 3.27Å; H256-G259 WeakPolarHBondContact O-CA 3.46Å; H256-G259 PolarHBondContact O-N 2.9Å; L257-G259 VanDerWaalsContact C-N 3.28Å; L257-G259 PolarHBondContact O-N 2.87Å; G259-R262 WeakPolarHBondContact O-CB 3.31Å; G259-R262 PolarHBondContact O-N 3.1Å; G259-E263 PolarHBondContact O-N 3.3Å
260V97.4Very high93.5Very high3 Ų338.4 Ų38.42%0.01819%0.187CC..Hα-helixtrans-70.7-40.7176.5177.70000111.4T209 L212 D213 L216 H256 L257 R262 E263 L264T209-V260 HydrophobicContact CG2-CB 4.33Å; T209-V260 HydrophobicContact CG2-CG2 3.74Å; L212-V260 HydrophobicContact CB-CG1 4.02Å; L212-V260 HydrophobicContact CD2-CG1 3.52Å; L212-V260 HydrophobicContact CG-CG1 3.5Å; D213-V260 HydrophobicContact CB-CG2 3.91Å; L216-V260 HydrophobicContact CD1-CG1 3.82Å; H256-V260 PolarHBondContact O-N 3.31Å; L257-V260 PolarHBondContact O-N 3.42Å; V260-R262 VanDerWaalsContact C-N 3.29Å; V260-R262 PolarHBondContact O-N 3.32Å; V260-E263 WeakPolarHBondContact O-CB 3.44Å; V260-E263 PolarHBondContact O-N 3.46Å; V260-E263 VanDerWaalsContact O-N 3.12Å; V260-L264 PolarHBondContact O-N 2.9Å
261L98.4Very high94.4Very high0 Ų036.9 Ų36.90%018%0.181CC..Hα-helixtrans-62.1-37.8173.8-72.8176.2000112L233 L257 T258 E263 L264 L265 A283 L286 L287 I290L233-L261 HydrophobicContact CD2-CD2 3.91Å; L257-L261 HydrophobicContact CD1-CD1 4.21Å; L257-L261 HydrophobicContact CD1-CG 4.05Å; L257-L261 HydrophobicContact CG-CD1 4.1Å; L257-L261 HydrophobicContact CG-CG 4.41Å; L257-L261 WeakPolarHBondContact O-CB 3.4Å; L257-L261 WeakPolarHBondContact O-CG 3.42Å; L257-L261 PolarHBondContact O-N 3.47Å; T258-L261 PolarHBondContact O-N 2.88Å; L261-E263 VanDerWaalsContact C-N 3.33Å; L261-L264 HydrophobicContact CD2-CD1 4.02Å; L261-L264 WeakPolarHBondContact O-CB 3.35Å; L261-L264 PolarHBondContact O-N 2.91Å; L261-L265 WeakPolarHBondContact O-CG 3.26Å; L261-L265 PolarHBondContact O-N 2.95Å; L261-A283 HydrophobicContact CD2-CB 3.93Å; L261-L286 HydrophobicContact CD1-CB 4.25Å; L261-L286 HydrophobicContact CD1-CD2 4.05Å; L261-L286 HydrophobicContact CD1-CG 3.9Å; L261-L286 HydrophobicContact CD2-CD2 4.05Å; L261-L286 HydrophobicContact CG-CD2 4.48Å; L261-L287 HydrophobicContact CB-CD2 4.12Å; L261-L287 HydrophobicContact CD1-CD2 3.58Å; L261-L287 HydrophobicContact CD1-CG 3.95Å; L261-L287 HydrophobicContact CG-CD2 4.49Å; L261-I290 HydrophobicContact CD1-CG1 4.45Å
262R97.7Very high94.8Very high43 Ų4337 Ų3716%0.16220%0.196CC..Hα-helixtrans-57.4-47.8171.5-174.1-17359-115.3-8.7110.6T258 G259 V260 L264 L265 L266 E297 L298 S346T258-R262 WeakPolarHBondContact O-CB 3.49Å; T258-R262 PolarHBondContact O-N 3.22Å; G259-R262 WeakPolarHBondContact O-CB 3.31Å; G259-R262 PolarHBondContact O-N 3.1Å; V260-R262 VanDerWaalsContact C-N 3.29Å; V260-R262 PolarHBondContact O-N 3.32Å; R262-L264 VanDerWaalsContact C-N 3.33Å; R262-L264 PolarHBondContact O-N 3.46Å; R262-L265 WeakPolarHBondContact O-CB 3.46Å; R262-L265 PolarHBondContact O-N 3.17Å; R262-L265 VanDerWaalsContact O-N 3.16Å; R262-L266 HydrophobicContact CG-CD1 4.11Å; R262-L266 HydrophobicContact CG-CG 4.4Å; R262-L266 VanDerWaalsContact O-CG 3.3Å; R262-L266 WeakPolarHBondContact O-CG 3.48Å; R262-L266 PolarHBondContact O-N 3.27Å; R262-E297 WeakPolarHBondContact CD-O 3.15Å; R262-E297 PolarHBondContact NH1-O 3.44Å; R262-L298 HydrophobicContact CB-CD2 3.98Å; R262-L298 HydrophobicContact CG-CD2 4.45Å; R262-S346 VanDerWaalsContact CG-OG 3.27Å; R262-S346 WeakPolarHBondContact CG-OG 3.28Å
263E96.1Very high95.1Very high83 Ų8334.3 Ų34.339%0.38819%0.185SC..Hα-helixtrans-62.3-40.2179.4-170.955.9-14700112L216 G259 V260 L261 L265 L266 R267L216-E263 HydrophobicContact CD1-CB 4.25Å; L216-E263 HydrophobicContact CD1-CG 4.24Å; G259-E263 PolarHBondContact O-N 3.3Å; V260-E263 WeakPolarHBondContact O-CB 3.44Å; V260-E263 PolarHBondContact O-N 3.46Å; V260-E263 VanDerWaalsContact O-N 3.12Å; L261-E263 VanDerWaalsContact C-N 3.33Å; E263-L265 PolarHBondContact O-N 2.84Å; E263-L266 PolarHBondContact O-N 3.04Å; E263-R267 VanDerWaalsContact O-CB 3.27Å; E263-R267 WeakPolarHBondContact O-CB 3.3Å; E263-R267 PolarHBondContact O-N 3.03Å
264L97.6Very high95.4Very high0 Ų040.9 Ų40.90%022%0.216CC..Hα-helixtrans-57.5-47.4171.5-74175.7000112.4L212 L216 I229 L233 V260 L261 R262 L266 R267 F268 V279 A283L212-L264 HydrophobicContact CD1-CD1 4.37Å; L212-L264 HydrophobicContact CD1-CD2 4.41Å; L212-L264 HydrophobicContact CD2-CD1 3.89Å; L212-L264 HydrophobicContact CG-CD1 4.49Å; L216-L264 HydrophobicContact CD1-CD2 3.85Å; L216-L264 HydrophobicContact CD1-CG 3.9Å; L216-L264 HydrophobicContact CD2-CD2 3.59Å; L216-L264 HydrophobicContact CD2-CG 4.47Å; L216-L264 HydrophobicContact CG-CD2 4.2Å; I229-L264 HydrophobicContact CG2-CD2 4.23Å; L233-L264 HydrophobicContact CD1-CD1 3.99Å; L233-L264 HydrophobicContact CD2-CD1 3.92Å; L233-L264 HydrophobicContact CG-CD1 4.47Å; V260-L264 PolarHBondContact O-N 2.9Å; L261-L264 HydrophobicContact CD2-CD1 4.02Å; L261-L264 WeakPolarHBondContact O-CB 3.35Å; L261-L264 PolarHBondContact O-N 2.91Å; R262-L264 VanDerWaalsContact C-N 3.33Å; R262-L264 PolarHBondContact O-N 3.46Å; L264-L266 VanDerWaalsContact C-N 3.3Å; L264-L266 PolarHBondContact O-N 2.95Å; L264-R267 PolarHBondContact O-N 3.3Å; L264-F268 HydrophobicContact CD2-CD2 3.93Å; L264-F268 HydrophobicContact CD2-CE2 3.69Å; L264-F268 WeakPolarHBondContact O-CB 3.44Å; L264-F268 WeakPolarHBondContact O-CD2 3.48Å; L264-F268 PolarHBondContact O-N 3.03Å; L264-V279 HydrophobicContact CB-CG1 4.49Å; L264-V279 HydrophobicContact CD2-CG1 3.84Å; L264-A283 HydrophobicContact CD1-CB 4.5Å
265L98Very high95.5Very high0 Ų044.2 Ų44.20%023%0.23CC..Hα-helixtrans-62.2-39.4177.7-68.1177.7000111.5L261 R262 E263 G269 V280 A283 I284 L287 L298 V349 L350L261-L265 WeakPolarHBondContact O-CG 3.26Å; L261-L265 PolarHBondContact O-N 2.95Å; R262-L265 WeakPolarHBondContact O-CB 3.46Å; R262-L265 PolarHBondContact O-N 3.17Å; R262-L265 VanDerWaalsContact O-N 3.16Å; E263-L265 PolarHBondContact O-N 2.84Å; L265-G269 WeakPolarHBondContact O-CA 3.31Å; L265-G269 PolarHBondContact O-N 3.35Å; L265-V280 HydrophobicContact CD2-CG1 3.87Å; L265-V280 HydrophobicContact CD2-CG2 4.46Å; L265-A283 HydrophobicContact CD2-CB 4.27Å; L265-I284 HydrophobicContact CD2-CG1 4.48Å; L265-L287 HydrophobicContact CD1-CD1 3.97Å; L265-L298 HydrophobicContact CD1-CD2 4.29Å; L265-V349 HydrophobicContact CB-CG1 4.25Å; L265-V349 HydrophobicContact CD2-CG1 4.11Å; L265-L350 HydrophobicContact CD1-CD2 4.32Å
266L95.2Very high95.6Very high30 Ų3042.5 Ų42.516%0.15722%0.221CC..Hα-helixtrans-72.6-35.4179.9-65.7178.5000112.6R262 E263 L264 R345R262-L266 HydrophobicContact CG-CD1 4.11Å; R262-L266 HydrophobicContact CG-CG 4.4Å; R262-L266 VanDerWaalsContact O-CG 3.3Å; R262-L266 WeakPolarHBondContact O-CG 3.48Å; R262-L266 PolarHBondContact O-N 3.27Å; E263-L266 PolarHBondContact O-N 3.04Å; L264-L266 VanDerWaalsContact C-N 3.3Å; L264-L266 PolarHBondContact O-N 2.95Å; L266-R345 HydrophobicContact CD2-CB 3.41Å; L266-R345 VanDerWaalsContact CD2-CB 3.41Å
267R94.4Very high95.7Very high71 Ų7141 Ų4127%0.26821%0.212SC..Hα-helixtrans-77.9-36.2-178.8-169.9172.1-175.11664.9113.2L216 E218 D219 E263 L264L216-R267 PolarHBondContact O-NH1 2.98Å; E218-R267 PolarHBondContact O-NH1 3.31Å; E218-R267 PolarHBondContact O-NH2 3.31Å; D219-R267 PolarHBondContact O-NH2 2.95Å; E263-R267 VanDerWaalsContact O-CB 3.27Å; E263-R267 WeakPolarHBondContact O-CB 3.3Å; E263-R267 PolarHBondContact O-N 3.03Å; L264-R267 PolarHBondContact O-N 3.3Å
268F95.7Very high95.7Very high14 Ų1442.3 Ų42.36%0.06122%0.224CC..Hα-helixtrans-113.24.7-174.9-57-66.7000113.6L216 V221 L226 L264 D270 L271 D276 V279 V280L216-F268 HydrophobicContact CD2-CE2 4.09Å; V221-F268 HydrophobicContact CB-CZ 4.43Å; L226-F268 HydrophobicContact CD2-CD1 4.36Å; L226-F268 HydrophobicContact CD2-CE1 3.51Å; L226-F268 HydrophobicContact CD2-CE2 4.25Å; L226-F268 HydrophobicContact CD2-CZ 3.44Å; L226-F268 VanDerWaalsContact CD2-CZ 3.44Å; L264-F268 HydrophobicContact CD2-CD2 3.93Å; L264-F268 HydrophobicContact CD2-CE2 3.69Å; L264-F268 WeakPolarHBondContact O-CB 3.44Å; L264-F268 WeakPolarHBondContact O-CD2 3.48Å; L264-F268 PolarHBondContact O-N 3.03Å; F268-D270 VanDerWaalsContact C-N 3.26Å; F268-D270 PolarHBondContact O-N 3.24Å; F268-L271 PolarHBondContact O-N 3.33Å; F268-L271 VanDerWaalsContact O-N 3.07Å; F268-D276 HydrophobicContact CB-CB 4.1Å; F268-D276 HydrophobicContact CD1-CB 4.37Å; F268-D276 WeakPolarHBondContact CD1-OD1 3.49Å; F268-V279 HydrophobicContact CD2-CB 4.37Å; F268-V279 HydrophobicContact CD2-CG1 3.63Å; F268-V279 HydrophobicContact CE2-CG1 4.13Å; F268-V279 HydrophobicContact CG-CG1 4.24Å; F268-V280 HydrophobicContact CB-CG2 3.96Å
269G95.1Very high95.8Very high1 Ų142.3 Ų42.31%0.0122%0.224CC..THydrogen-bonded Turntrans-74.1-6.2-172.900000116.6L265 V349 R352L265-G269 WeakPolarHBondContact O-CA 3.31Å; L265-G269 PolarHBondContact O-N 3.35Å; G269-V349 VanDerWaalsContact CA-CG1 3.5Å; G269-R352 PolarHBondContact O-NH1 3.49Å
270D94Very high95.8Very high128 Ų12841.7 Ų41.768%0.68422%0.217SC*.THydrogen-bonded Turntrans-74.3-14168.1-68.5-22.7000111.6F268 A272F268-D270 VanDerWaalsContact C-N 3.26Å; F268-D270 PolarHBondContact O-N 3.24Å; D270-A272 PolarHBondContact O-N 3.1Å
271L93.9Very high95.9Very high11 Ų1142.5 Ų42.56%0.05822%0.223CC..  trans53.635.3176.9-52.3174.7000112.4F268 T273 V280 R352 Y353F268-L271 PolarHBondContact O-N 3.33Å; F268-L271 VanDerWaalsContact O-N 3.07Å; L271-T273 PolarHBondContact O-N 3.49Å; L271-V280 HydrophobicContact CD2-CB 3.81Å; L271-V280 HydrophobicContact CD2-CG1 3.96Å; L271-V280 HydrophobicContact CD2-CG2 3.75Å; L271-R352 HydrophobicContact CD1-CG 4.31Å; L271-Y353 HydrophobicContact CD1-CD2 4.41Å; L271-Y353 HydrophobicContact CD2-CD2 4.42Å
272A92.5Very high95.9Very high83 Ų8344.5 Ų44.569%0.68623%0.232SC*.  trans-67.3-35.7-169.900000112.6D270D270-A272 PolarHBondContact O-N 3.1Å
273T94.6Very high95.9Very high70 Ų7042.4 Ų42.443%0.42922%0.224SC..SBendtrans-118.8163.717771.50000112.2L271 K275 D276 R277L271-T273 PolarHBondContact O-N 3.49Å; T273-K275 PolarHBondContact O-N 3.35Å; T273-K275 PolarHBondContact OG1-N 2.98Å; T273-D276 PolarHBondContact N-OD2 3.47Å; T273-D276 PolarHBondContact O-N 2.92Å; T273-D276 PolarHBondContact OG1-N 3.23Å; T273-D276 PolarHBondContact OG1-OD1 3Å; T273-D276 PolarHBondContact OG1-OD2 3.44Å; T273-R277 PolarHBondContact O-N 2.97Å
274E93.6Very high96Very high165 Ų16538.5 Ų38.577%0.77121%0.205SC*.Hα-helixtrans-61.1-32.1172-170.3-177.5-179.900111.8R277 A278E274-R277 WeakPolarHBondContact O-CB 3.36Å; E274-R277 PolarHBondContact O-N 2.9Å; E274-A278 WeakPolarHBondContact O-CB 3.33Å; E274-A278 PolarHBondContact O-N 2.95Å
275K94.6Very high96Very high74 Ų7440.3 Ų40.332%0.32222%0.215SC..Hα-helixtrans-69.9-42.5176.2-62-62.3-176.9177.30111.9L226 N227 T273 R277 A278 V279L226-K275 HydrophobicContact CB-CB 4.48Å; L226-K275 HydrophobicContact CD1-CB 3.75Å; N227-K275 PolarHBondContact OD1-NZ 3.47Å; T273-K275 PolarHBondContact O-N 3.35Å; T273-K275 PolarHBondContact OG1-N 2.98Å; K275-R277 VanDerWaalsContact C-N 3.3Å; K275-R277 PolarHBondContact O-N 3.43Å; K275-A278 WeakPolarHBondContact O-CB 3.47Å; K275-A278 PolarHBondContact O-N 3.31Å; K275-A278 VanDerWaalsContact O-N 3.15Å; K275-V279 WeakPolarHBondContact O-CG2 3.26Å; K275-V279 PolarHBondContact O-N 2.76Å
276D95.5Very high96Very high22 Ų2240.3 Ų40.312%0.11822%0.215CC..Hα-helixtrans-60-44.6174-57.1-28.8000110.5F268 T273 A278 V279 V280F268-D276 HydrophobicContact CB-CB 4.1Å; F268-D276 HydrophobicContact CD1-CB 4.37Å; F268-D276 WeakPolarHBondContact CD1-OD1 3.49Å; T273-D276 PolarHBondContact N-OD2 3.47Å; T273-D276 PolarHBondContact O-N 2.92Å; T273-D276 PolarHBondContact OG1-N 3.23Å; T273-D276 PolarHBondContact OG1-OD1 3Å; T273-D276 PolarHBondContact OG1-OD2 3.44Å; D276-A278 VanDerWaalsContact C-N 3.35Å; D276-A278 PolarHBondContact O-N 3.18Å; D276-V279 PolarHBondContact O-N 2.88Å; D276-V280 WeakPolarHBondContact O-CG2 3.42Å; D276-V280 PolarHBondContact O-N 3.3Å
277R95.8Very high96.1Very high46 Ų4638.9 Ų38.917%0.17421%0.208CC..Hα-helixtrans-57.3-47.2173.6-179.8-174.9-54.4-63.9-30111.5T273 E274 K275 V279 V280 T281 Y353 Q356T273-R277 PolarHBondContact O-N 2.97Å; E274-R277 WeakPolarHBondContact O-CB 3.36Å; E274-R277 PolarHBondContact O-N 2.9Å; K275-R277 VanDerWaalsContact C-N 3.3Å; K275-R277 PolarHBondContact O-N 3.43Å; R277-V279 VanDerWaalsContact C-N 3.34Å; R277-V279 PolarHBondContact O-N 3.4Å; R277-V280 PolarHBondContact O-N 3.49Å; R277-T281 WeakPolarHBondContact O-CB 3.31Å; R277-T281 PolarHBondContact O-N 3.38Å; R277-T281 PolarHBondContact O-OG1 2.87Å; R277-Y353 HydrophobicContact CG-CE2 4.49Å; R277-Q356 VanDerWaalsContact CZ-OE1 3.24Å
278A96.7Very high96.2Very high31 Ų3137 Ų3726%0.25620%0.204SC..Hα-helixtrans-60.6-42.4-179.900000112.1E274 K275 D276 T281 H282E274-A278 WeakPolarHBondContact O-CB 3.33Å; E274-A278 PolarHBondContact O-N 2.95Å; K275-A278 WeakPolarHBondContact O-CB 3.47Å; K275-A278 PolarHBondContact O-N 3.31Å; K275-A278 VanDerWaalsContact O-N 3.15Å; D276-A278 VanDerWaalsContact C-N 3.35Å; D276-A278 PolarHBondContact O-N 3.18Å; A278-T281 PolarHBondContact O-N 3.5Å; A278-H282 PolarHBondContact O-CD2 3.29Å; A278-H282 PolarHBondContact O-N 3.1Å
279V97.9Very high96.1Very high0 Ų038.3 Ų38.30%021%0.212CC..Hα-helixtrans-61-47.8175.1172.60000110.6L226 I229 C230 L233 L264 F268 K275 D276 R277 T281 H282 A283L226-V279 HydrophobicContact CB-CG2 4.42Å; L226-V279 HydrophobicContact CD2-CG2 4.1Å; I229-V279 HydrophobicContact CG2-CG1 4.27Å; I229-V279 HydrophobicContact CG2-CG2 4.39Å; C230-V279 VanDerWaalsContact SG-CG2 3.6Å; L233-V279 HydrophobicContact CD1-CG1 4.39Å; L264-V279 HydrophobicContact CB-CG1 4.49Å; L264-V279 HydrophobicContact CD2-CG1 3.84Å; F268-V279 HydrophobicContact CD2-CB 4.37Å; F268-V279 HydrophobicContact CD2-CG1 3.63Å; F268-V279 HydrophobicContact CE2-CG1 4.13Å; F268-V279 HydrophobicContact CG-CG1 4.24Å; K275-V279 WeakPolarHBondContact O-CG2 3.26Å; K275-V279 PolarHBondContact O-N 2.76Å; D276-V279 PolarHBondContact O-N 2.88Å; R277-V279 VanDerWaalsContact C-N 3.34Å; R277-V279 PolarHBondContact O-N 3.4Å; V279-T281 PolarHBondContact O-N 3.12Å; V279-H282 PolarHBondContact O-N 3.33Å; V279-A283 WeakPolarHBondContact O-CB 3.33Å; V279-A283 PolarHBondContact O-N 3.33Å
280V98.1Very high96Very high0 Ų038.4 Ų38.40%021%0.212CC..Hα-helixtrans-62.6-41.9177.6172.50000111.5L265 F268 L271 D276 R277 H282 A283 I284 V349 Y353L265-V280 HydrophobicContact CD2-CG1 3.87Å; L265-V280 HydrophobicContact CD2-CG2 4.46Å; F268-V280 HydrophobicContact CB-CG2 3.96Å; L271-V280 HydrophobicContact CD2-CB 3.81Å; L271-V280 HydrophobicContact CD2-CG1 3.96Å; L271-V280 HydrophobicContact CD2-CG2 3.75Å; D276-V280 WeakPolarHBondContact O-CG2 3.42Å; D276-V280 PolarHBondContact O-N 3.3Å; R277-V280 PolarHBondContact O-N 3.49Å; V280-H282 PolarHBondContact O-N 2.95Å; V280-A283 PolarHBondContact O-N 3.49Å; V280-I284 HydrophobicContact CG1-CD1 3.75Å; V280-I284 HydrophobicContact CG1-CG1 4.28Å; V280-I284 WeakPolarHBondContact O-CB 3.37Å; V280-I284 VanDerWaalsContact O-CG1 3.25Å; V280-I284 WeakPolarHBondContact O-CG1 3.32Å; V280-I284 PolarHBondContact O-N 3.44Å; V280-V349 HydrophobicContact CG1-CG1 4.43Å; V280-Y353 HydrophobicContact CG1-CD2 3.82Å; V280-Y353 HydrophobicContact CG1-CE2 4.38Å; V280-Y353 HydrophobicContact CG1-CG 4.43Å
281T97.7Very high95.9Very high21 Ų2134.6 Ų34.613%0.12920%0.196CC..Hα-helixtrans-57.9-47.8175.3-63.90000111.3R277 A278 V279 I284 N285 Y353 L370R277-T281 WeakPolarHBondContact O-CB 3.31Å; R277-T281 PolarHBondContact O-N 3.38Å; R277-T281 PolarHBondContact O-OG1 2.87Å; A278-T281 PolarHBondContact O-N 3.5Å; V279-T281 PolarHBondContact O-N 3.12Å; T281-I284 PolarHBondContact O-N 3.03Å; T281-N285 VanDerWaalsContact O-CG 3.23Å; T281-N285 PolarHBondContact O-N 2.8Å; T281-Y353 VanDerWaalsContact OG1-CE2 3.3Å; T281-Y353 WeakPolarHBondContact OG1-CE2 3.39Å; T281-Y353 PolarHBondContact OG1-OH 3.02Å; T281-L370 HydrophobicContact CG2-CD2 4.41Å
282H98.3Very high95.7Very high41 Ų4135.3 Ų35.319%0.1921%0.206CC..Hα-helixtrans-69.3-34.8179.2-73.8-57.5000112.8L233 K234 A278 V279 V280 N285 L286L233-H282 HydrophobicContact CB-CB 3.73Å; L233-H282 HydrophobicContact CD1-CB 3.78Å; L233-H282 HydrophobicContact CG-CB 4.42Å; K234-H282 WeakPolarHBondContact CE-CE1 3.26Å; K234-H282 WeakPolarHBondContact CE-NE2 3.4Å; A278-H282 PolarHBondContact O-CD2 3.29Å; A278-H282 PolarHBondContact O-N 3.1Å; V279-H282 PolarHBondContact O-N 3.33Å; V280-H282 PolarHBondContact O-N 2.95Å; H282-N285 PolarHBondContact O-N 2.9Å; H282-L286 PolarHBondContact O-N 3.22Å
283A98.6Very high95.7Very high0 Ų034.2 Ų34.20%019%0.193CC..Hα-helixtrans-62.1-46.1171.900000111.5L261 L264 L265 V279 V280 N285 L286 L287L261-A283 HydrophobicContact CD2-CB 3.93Å; L264-A283 HydrophobicContact CD1-CB 4.5Å; L265-A283 HydrophobicContact CD2-CB 4.27Å; V279-A283 WeakPolarHBondContact O-CB 3.33Å; V279-A283 PolarHBondContact O-N 3.33Å; V280-A283 PolarHBondContact O-N 3.49Å; A283-N285 PolarHBondContact O-N 3.35Å; A283-L286 PolarHBondContact O-N 3.32Å; A283-L287 WeakPolarHBondContact O-CG 3.29Å; A283-L287 PolarHBondContact O-N 3Å
284I98.6Very high95.7Very high0 Ų030.9 Ų30.90%017%0.173CC..Hα-helixtrans-60.2-45.8175.8-69.9170.4000110.8L265 V280 T281 L286 L287 T288 L350 Y353 P373 V374 V377L265-I284 HydrophobicContact CD2-CG1 4.48Å; V280-I284 HydrophobicContact CG1-CD1 3.75Å; V280-I284 HydrophobicContact CG1-CG1 4.28Å; V280-I284 WeakPolarHBondContact O-CB 3.37Å; V280-I284 VanDerWaalsContact O-CG1 3.25Å; V280-I284 WeakPolarHBondContact O-CG1 3.32Å; V280-I284 PolarHBondContact O-N 3.44Å; T281-I284 PolarHBondContact O-N 3.03Å; I284-L286 VanDerWaalsContact C-N 3.3Å; I284-L286 PolarHBondContact O-N 3.06Å; I284-L287 WeakPolarHBondContact O-CB 3.48Å; I284-L287 PolarHBondContact O-N 2.94Å; I284-T288 PolarHBondContact O-N 3.45Å; I284-L350 HydrophobicContact CD1-CD2 3.92Å; I284-L350 HydrophobicContact CG1-CD2 3.62Å; I284-Y353 HydrophobicContact CD1-CD1 3.46Å; I284-Y353 VanDerWaalsContact CD1-CD1 3.46Å; I284-Y353 HydrophobicContact CD1-CD2 3.86Å; I284-Y353 HydrophobicContact CD1-CE1 3.79Å; I284-Y353 HydrophobicContact CD1-CE2 4.14Å; I284-Y353 HydrophobicContact CD1-CG 3.5Å; I284-P373 HydrophobicContact CG2-CB 3.92Å; I284-V374 HydrophobicContact CD1-CB 4.49Å; I284-V374 HydrophobicContact CD1-CG2 4.45Å; I284-V374 HydrophobicContact CG2-CB 4.02Å; I284-V377 HydrophobicContact CG2-CG2 4.25Å
285N97.6Very high95.8Very high39 Ų3923 Ų2321%0.20914%0.136CC..Hα-helixtrans-57.8-44176.6-70.7-14.1000111F237 T281 H282 A283 T288 P373F237-N285 HydrophobicContact CD2-CB 4.25Å; F237-N285 WeakPolarHBondContact CD2-O 3.44Å; F237-N285 HydrophobicContact CE2-CB 4.45Å; F237-N285 WeakPolarHBondContact CE2-O 3.33Å; T281-N285 VanDerWaalsContact O-CG 3.23Å; T281-N285 PolarHBondContact O-N 2.8Å; H282-N285 PolarHBondContact O-N 2.9Å; A283-N285 PolarHBondContact O-N 3.35Å; N285-T288 WeakPolarHBondContact O-CB 3.22Å; N285-T288 PolarHBondContact O-N 3.04Å; N285-T288 PolarHBondContact O-OG1 3.47Å; N285-P373 WeakPolarHBondContact OD1-CB 3.25Å; N285-P373 WeakPolarHBondContact OD1-CG 3.48Å
286L97.4Very high95.8Very high0 Ų021.4 Ų21.40%013%0.132CC..Hα-helixtrans-64.6-39.6176.9-174.351.3000112.8L233 M236 F237 T240 L257 L261 H282 A283 I284 T288 N289L233-L286 HydrophobicContact CD2-CD2 4.05Å; M236-L286 HydrophobicContact CB-CD1 4.17Å; M236-L286 HydrophobicContact CB-CD2 3.62Å; M236-L286 HydrophobicContact SD-CD2 4.3Å; F237-L286 HydrophobicContact CB-CD1 4.39Å; T240-L286 HydrophobicContact CG2-CD1 4.1Å; T240-L286 WeakPolarHBondContact OG1-CD1 3.34Å; L257-L286 HydrophobicContact CD1-CD2 4.07Å; L257-L286 HydrophobicContact CD2-CD2 4.18Å; L257-L286 HydrophobicContact CD2-CG 4.5Å; L257-L286 HydrophobicContact CG-CD2 4.49Å; L261-L286 HydrophobicContact CD1-CB 4.25Å; L261-L286 HydrophobicContact CD1-CD2 4.05Å; L261-L286 HydrophobicContact CD1-CG 3.9Å; L261-L286 HydrophobicContact CD2-CD2 4.05Å; L261-L286 HydrophobicContact CG-CD2 4.48Å; H282-L286 PolarHBondContact O-N 3.22Å; A283-L286 PolarHBondContact O-N 3.32Å; I284-L286 VanDerWaalsContact C-N 3.3Å; I284-L286 PolarHBondContact O-N 3.06Å; L286-T288 PolarHBondContact O-N 2.93Å; L286-T288 VanDerWaalsContact O-N 3.14Å; L286-N289 PolarHBondContact O-N 3.42Å
287L97.6Very high95.8Very high0 Ų023.3 Ų23.30%014%0.14CC..Hα-helixtrans-59.6-24175.6-69.9170.8000113.1T258 L261 L265 A283 I284 N289 I290 L295 L298 V377 K380T258-L287 HydrophobicContact CG2-CD2 4.4Å; L261-L287 HydrophobicContact CB-CD2 4.12Å; L261-L287 HydrophobicContact CD1-CD2 3.58Å; L261-L287 HydrophobicContact CD1-CG 3.95Å; L261-L287 HydrophobicContact CG-CD2 4.49Å; L265-L287 HydrophobicContact CD1-CD1 3.97Å; A283-L287 WeakPolarHBondContact O-CG 3.29Å; A283-L287 PolarHBondContact O-N 3Å; I284-L287 WeakPolarHBondContact O-CB 3.48Å; I284-L287 PolarHBondContact O-N 2.94Å; L287-N289 PolarHBondContact O-N 3.09Å; L287-I290 HydrophobicContact CD2-CG1 4.36Å; L287-I290 PolarHBondContact O-N 2.73Å; L287-L295 HydrophobicContact CB-CD2 4.3Å; L287-L295 HydrophobicContact CD2-CD2 3.7Å; L287-L298 HydrophobicContact CD1-CD1 4.25Å; L287-L298 HydrophobicContact CD2-CD1 4.34Å; L287-L298 HydrophobicContact CD2-CD2 4.25Å; L287-V377 HydrophobicContact CB-CG1 4.16Å; L287-V377 HydrophobicContact CB-CG2 3.64Å; L287-V377 HydrophobicContact CD1-CG1 4.29Å; L287-K380 PolarHBondContact O-NZ 3.33Å
288T95.9Very high95.8Very high32 Ų3221.1 Ų21.120%0.19613%0.132CC..THydrogen-bonded Turntrans-62.2-24.5173.972.20000112.8I284 N285 L286 P373 T376 V377 K380I284-T288 PolarHBondContact O-N 3.45Å; N285-T288 WeakPolarHBondContact O-CB 3.22Å; N285-T288 PolarHBondContact O-N 3.04Å; N285-T288 PolarHBondContact O-OG1 3.47Å; L286-T288 PolarHBondContact O-N 2.93Å; L286-T288 VanDerWaalsContact O-N 3.14Å; T288-P373 HydrophobicContact CG2-CB 3.88Å; T288-T376 HydrophobicContact CG2-CG2 4.35Å; T288-V377 HydrophobicContact CG2-CG2 4Å; T288-K380 VanDerWaalsContact C-NZ 3.31Å; T288-K380 PolarHBondContact O-NZ 3.38Å
289N93.6Very high95.7Very high41 Ų4119.8 Ų19.822%0.21912%0.121CC..THydrogen-bonded Turntrans-94.5-7.4178.8-65.3-20000113.8F237 T240 S241 L286 L287F237-N289 VanDerWaalsContact CD2-ND2 3.35Å; F237-N289 WeakPolarHBondContact CD2-ND2 3.38Å; F237-N289 WeakPolarHBondContact CE2-ND2 3.47Å; F237-N289 PolarHBondContact O-ND2 2.84Å; F237-N289 VanDerWaalsContact O-ND2 3.16Å; T240-N289 WeakPolarHBondContact OG1-CB 3.32Å; T240-N289 PolarHBondContact OG1-ND2 2.68Å; S241-N289 PolarHBondContact N-ND2 2.89Å; S241-N289 PolarHBondContact OG-ND2 3.44Å; L286-N289 PolarHBondContact O-N 3.42Å; L287-N289 PolarHBondContact O-N 3.09Å
290I93.2Very high95.4Very high2 Ų223.1 Ų23.11%0.0114%0.138CC..SBendtrans-83.7138.5-177.9-60.7-60.4000111.7L257 T258 L261 L287 C294 L295 K380L257-I290 HydrophobicContact CD2-CD1 3.89Å; L257-I290 HydrophobicContact CG-CD1 4.3Å; T258-I290 VanDerWaalsContact OG1-CG2 3.28Å; T258-I290 WeakPolarHBondContact OG1-CG2 3.21Å; L261-I290 HydrophobicContact CD1-CG1 4.45Å; L287-I290 HydrophobicContact CD2-CG1 4.36Å; L287-I290 PolarHBondContact O-N 2.73Å; I290-C294 HydrophobicContact CG2-CB 3.53Å; I290-L295 HydrophobicContact CB-CD2 4.13Å; I290-L295 HydrophobicContact CB-CG 4.47Å; I290-L295 HydrophobicContact CG2-CD2 3.97Å; I290-L295 HydrophobicContact CG2-CG 4.09Å; I290-K380 WeakPolarHBondContact O-CE 3.22Å; I290-K380 PolarHBondContact O-NZ 3.39Å
291S91.6Very high95Very high49 Ų4933.2 Ų33.234%0.34318%0.176SC..  trans-63.5155.8179.9740000112.7S293 C294 L295S291-S293 VanDerWaalsContact C-N 3.27Å; S291-S293 PolarHBondContact O-N 3.41Å; S291-S293 PolarHBondContact OG-OG 2.96Å; S291-C294 PolarHBondContact O-N 3.28Å; S291-C294 PolarHBondContact OG-N 3.17Å; S291-C294 PolarHBondContact OG-SG 3.01Å; S291-L295 WeakPolarHBondContact O-CG 3.4Å; S291-L295 PolarHBondContact O-N 3.21Å
292G91.2Very high94.3Very high26 Ų2632.8 Ų32.827%0.26817%0.174SC..Hα-helixtrans-58.4-37.1175.200000113.3C294 L295 S384G292-C294 PolarHBondContact O-N 3.35Å; G292-L295 PolarHBondContact O-N 3.23Å; G292-S384 WeakPolarHBondContact O-CB 3.42Å; G292-S384 PolarHBondContact O-OG 2.93Å
293S91.3Very high93.4Very high60 Ų6033.6 Ų33.642%0.4218%0.184SC..Hα-helixtrans-60.4-45.5176.957.30000111.3E251 S291 T296E251-S293 PolarHBondContact OE1-OG 3.17Å; S291-S293 VanDerWaalsContact C-N 3.27Å; S291-S293 PolarHBondContact O-N 3.41Å; S291-S293 PolarHBondContact OG-OG 2.96Å; S293-T296 WeakPolarHBondContact O-CB 3.39Å; S293-T296 WeakPolarHBondContact O-CG2 3.4Å; S293-T296 PolarHBondContact O-N 3.36Å; S293-T296 PolarHBondContact O-OG1 3.47Å
294C94.4Very high92.3Very high0 Ų039.7 Ų39.70%022%0.217CC..Hα-helixtrans-69.7-35.8179.9-68.20000112.7S254 L255 T258 I290 S291 G292 T296 E297S254-C294 VanDerWaalsContact CB-SG 3.54Å; L255-C294 HydrophobicContact CD2-CB 4.18Å; T258-C294 WeakPolarHBondContact CG2-O 3.39Å; I290-C294 HydrophobicContact CG2-CB 3.53Å; S291-C294 PolarHBondContact O-N 3.28Å; S291-C294 PolarHBondContact OG-N 3.17Å; S291-C294 PolarHBondContact OG-SG 3.01Å; G292-C294 PolarHBondContact O-N 3.35Å; C294-T296 PolarHBondContact O-N 3.41Å; C294-E297 WeakPolarHBondContact O-CB 3.43Å; C294-E297 WeakPolarHBondContact O-CG 3.4Å; C294-E297 PolarHBondContact O-N 2.96Å
295L96.3Very high90.7Very high0 Ų042.8 Ų42.80%024%0.243CC..Hα-helixtrans-56.8-23.2178.7-73.5176.7000113.1L287 I290 S291 G292 E297 L298 K380 M388L287-L295 HydrophobicContact CB-CD2 4.3Å; L287-L295 HydrophobicContact CD2-CD2 3.7Å; I290-L295 HydrophobicContact CB-CD2 4.13Å; I290-L295 HydrophobicContact CB-CG 4.47Å; I290-L295 HydrophobicContact CG2-CD2 3.97Å; I290-L295 HydrophobicContact CG2-CG 4.09Å; S291-L295 WeakPolarHBondContact O-CG 3.4Å; S291-L295 PolarHBondContact O-N 3.21Å; G292-L295 PolarHBondContact O-N 3.23Å; L295-E297 PolarHBondContact O-N 2.67Å; L295-E297 VanDerWaalsContact O-N 3.12Å; L295-L298 HydrophobicContact CD2-CD1 3.94Å; L295-L298 VanDerWaalsContact O-CB 3.29Å; L295-L298 WeakPolarHBondContact O-CB 3.38Å; L295-L298 WeakPolarHBondContact O-CG 3.31Å; L295-L298 PolarHBondContact O-N 3.29Å; L295-K380 HydrophobicContact CD1-CB 3.5Å; L295-K380 HydrophobicContact CD1-CD 4.47Å; L295-M388 VanDerWaalsContact O-CE 3.29Å; L295-M388 WeakPolarHBondContact O-CE 3.49Å
296T94.1Very high89Confident40 Ų4043.1 Ų43.125%0.24524%0.243CC..G310 helixtrans-55.8-27.1175.764.70000113.1S293 C294 L298 T299 D385S293-T296 WeakPolarHBondContact O-CB 3.39Å; S293-T296 WeakPolarHBondContact O-CG2 3.4Å; S293-T296 PolarHBondContact O-N 3.36Å; S293-T296 PolarHBondContact O-OG1 3.47Å; C294-T296 PolarHBondContact O-N 3.41Å; T296-L298 PolarHBondContact O-N 3.41Å; T296-T299 PolarHBondContact O-N 2.98Å; T296-T299 VanDerWaalsContact O-N 3.11Å; T296-T299 PolarHBondContact O-OG1 3.02Å; T296-D385 HydrophobicContact CG2-CB 4.15Å
297E95.1Very high87.4Confident62 Ų6245 Ų4529%0.2925%0.252SS..G310 helixtrans-63-18.9175.2-68.7-59.613200113.2L255 T258 R262 C294 L295 T299 L300L255-E297 HydrophobicContact CD2-CG 3.52Å; T258-E297 HydrophobicContact CG2-CB 3.91Å; R262-E297 WeakPolarHBondContact CD-O 3.15Å; R262-E297 PolarHBondContact NH1-O 3.44Å; C294-E297 WeakPolarHBondContact O-CB 3.43Å; C294-E297 WeakPolarHBondContact O-CG 3.4Å; C294-E297 PolarHBondContact O-N 2.96Å; L295-E297 PolarHBondContact O-N 2.67Å; L295-E297 VanDerWaalsContact O-N 3.12Å; E297-T299 PolarHBondContact O-N 3.49Å; E297-L300 VanDerWaalsContact OE2-CD2 3.3Å; E297-L300 WeakPolarHBondContact OE2-CD2 3.44Å
298L97.2Very high85.9Confident0 Ų050.9 Ų50.90%028%0.28CS..G310 helixtrans-63.5-21.5173.9-66179.6000112.8T258 R262 L265 L287 L295 T296 S346 M388T258-L298 HydrophobicContact CG2-CD2 3.97Å; T258-L298 HydrophobicContact CG2-CG 4.02Å; R262-L298 HydrophobicContact CB-CD2 3.98Å; R262-L298 HydrophobicContact CG-CD2 4.45Å; L265-L298 HydrophobicContact CD1-CD2 4.29Å; L287-L298 HydrophobicContact CD1-CD1 4.25Å; L287-L298 HydrophobicContact CD2-CD1 4.34Å; L287-L298 HydrophobicContact CD2-CD2 4.25Å; L295-L298 HydrophobicContact CD2-CD1 3.94Å; L295-L298 VanDerWaalsContact O-CB 3.29Å; L295-L298 WeakPolarHBondContact O-CB 3.38Å; L295-L298 WeakPolarHBondContact O-CG 3.31Å; L295-L298 PolarHBondContact O-N 3.29Å; T296-L298 PolarHBondContact O-N 3.41Å; L298-S346 WeakPolarHBondContact O-CB 3.47Å; L298-S346 PolarHBondContact O-OG 3.4Å; L298-M388 HydrophobicContact CB-CE 4.25Å
299T94.8Very high84.2Confident3 Ų350.5 Ų50.52%0.01828%0.279CS..SBendtrans-12583.6178.461.60000112T296 E297 R342 N343 V344 L347 M388T296-T299 PolarHBondContact O-N 2.98Å; T296-T299 VanDerWaalsContact O-N 3.11Å; T296-T299 PolarHBondContact O-OG1 3.02Å; E297-T299 PolarHBondContact O-N 3.49Å; T299-R342 WeakPolarHBondContact O-CD 3.46Å; T299-N343 VanDerWaalsContact CA-O 3.24Å; T299-N343 WeakPolarHBondContact CA-O 3.38Å; T299-N343 WeakPolarHBondContact CB-O 3.24Å; T299-V344 HydrophobicContact CG2-CG1 4.04Å; T299-L347 HydrophobicContact CG2-CD1 3.7Å; T299-L347 HydrophobicContact CG2-CG 3.81Å; T299-M388 HydrophobicContact CG2-CE 3.66Å; T299-M388 HydrophobicContact CG2-CG 4.17Å; T299-M388 WeakPolarHBondContact OG1-CE 3.16Å
300L91.6Very high82.4Confident69 Ų6950.9 Ų50.936%0.36128%0.279SS..PPolyproline II helixtrans-70156177.2-64.1-173.8000112.1E297 C302 R342 N343E297-L300 VanDerWaalsContact OE2-CD2 3.3Å; E297-L300 WeakPolarHBondContact OE2-CD2 3.44Å; L300-C302 PolarHBondContact O-N 3.19Å; L300-R342 CarbonylContact O-C 3.52Å; L300-R342 VanDerWaalsContact O-CA 3.25Å; L300-R342 WeakPolarHBondContact O-CA 3.31Å; L300-N343 PolarHBondContact O-N 3.42Å
301R88.2Confident80.7Confident213 Ų21356.9 Ų56.980%0.80431%0.305SS*.BIsolated β-bridgetrans-66.8131.9171.7-68.9-176.4-178.5177.42.5109.6K341R301-K341 WeakPolarHBondContact CA-O 3.4Å
302C84.8Confident79.1Confident11 Ų1160.5 Ų60.57%0.07432%0.317CS..PPolyproline II helixtrans-65.9137.4171.9-620000109.9L300 E306 L307 C338 K341 N343L300-C302 PolarHBondContact O-N 3.19Å; C302-E306 VanDerWaalsContact CA-OE2 3.31Å; C302-E306 WeakPolarHBondContact CA-OE2 3.3Å; C302-E306 HydrophobicContact CB-CB 3.96Å; C302-L307 HydrophobicContact CB-CD2 4.2Å; C302-L307 HydrophobicContact CB-CG 4.16Å; C302-C338 PolarHBondContact SG-SG 3.19Å; C302-K341 PolarHBondContact N-O 3.28Å; C302-N343 PolarHBondContact SG-N 3.23Å
303S79.4Confident77.2Confident58 Ų5864.3 Ų64.341%0.40632%0.323SS..PPolyproline II helixtrans-61.8158.4167.863.80000111.2A305 E306 L307S303-A305 PolarHBondContact O-N 3.14Å; S303-E306 WeakPolarHBondContact CB-OE2 3.44Å; S303-E306 PolarHBondContact N-OE2 3.22Å; S303-E306 PolarHBondContact O-N 2.89Å; S303-E306 VanDerWaalsContact O-N 3.14Å; S303-E306 VanDerWaalsContact OG-CG 3.31Å; S303-E306 WeakPolarHBondContact OG-CG 3.47Å; S303-E306 PolarHBondContact OG-N 3.25Å; S303-E306 PolarHBondContact OG-OE2 2.91Å; S303-L307 WeakPolarHBondContact O-CG 3.43Å; S303-L307 PolarHBondContact O-N 3.45Å
304N73.7Confident75.4Confident128 Ų12866.6 Ų66.668%0.68433%0.327SS*.Hα-helixtrans-58.1-35176.6-71.7-12000112.1L307 E308N304-L307 WeakPolarHBondContact O-CB 3.28Å; N304-L307 PolarHBondContact O-N 2.88Å; N304-E308 WeakPolarHBondContact O-CG 3.38Å; N304-E308 PolarHBondContact O-N 3.43Å
305A66Low73.1Confident66 Ų6671.7 Ų71.755%0.54535%0.351SS..Hα-helixtrans-65.1-41.7176.600000112.4S303 L307 E308 S309S303-A305 PolarHBondContact O-N 3.14Å; A305-L307 VanDerWaalsContact C-N 3.33Å; A305-L307 PolarHBondContact O-N 2.9Å; A305-E308 PolarHBondContact O-N 2.97Å; A305-S309 PolarHBondContact O-N 2.64Å; A305-S309 VanDerWaalsContact O-N 3.09Å
306E62.3Low70.7Confident46 Ų4676 Ų7622%0.21537%0.374CS..Hα-helixtrans-62.9-41173.8-75.9165.813400111.3C302 S303 E308 S309 H310 C334C302-E306 VanDerWaalsContact CA-OE2 3.31Å; C302-E306 WeakPolarHBondContact CA-OE2 3.3Å; C302-E306 HydrophobicContact CB-CB 3.96Å; S303-E306 WeakPolarHBondContact CB-OE2 3.44Å; S303-E306 PolarHBondContact N-OE2 3.22Å; S303-E306 PolarHBondContact O-N 2.89Å; S303-E306 VanDerWaalsContact O-N 3.14Å; S303-E306 VanDerWaalsContact OG-CG 3.31Å; S303-E306 WeakPolarHBondContact OG-CG 3.47Å; S303-E306 PolarHBondContact OG-N 3.25Å; S303-E306 PolarHBondContact OG-OE2 2.91Å; E306-E308 VanDerWaalsContact C-N 3.34Å; E306-E308 PolarHBondContact O-N 3.36Å; E306-S309 PolarHBondContact O-N 3.25Å; E306-S309 PolarHBondContact O-OG 3.08Å; E306-H310 WeakPolarHBondContact O-CB 3.49Å; E306-H310 PolarHBondContact O-N 3.47Å; E306-C334 WeakPolarHBondContact CG-SG 3.16Å
307L63.1Low68.2Low38 Ų3879.6 Ų79.620%0.19939%0.392CS..Hα-helixtrans-63.9-36.3177.2-68.3170.4000113C302 S303 N304 A305 K311 C338 K341C302-L307 HydrophobicContact CB-CD2 4.2Å; C302-L307 HydrophobicContact CB-CG 4.16Å; S303-L307 WeakPolarHBondContact O-CG 3.43Å; S303-L307 PolarHBondContact O-N 3.45Å; N304-L307 WeakPolarHBondContact O-CB 3.28Å; N304-L307 PolarHBondContact O-N 2.88Å; A305-L307 VanDerWaalsContact C-N 3.33Å; A305-L307 PolarHBondContact O-N 2.9Å; L307-K311 WeakPolarHBondContact O-CG 3.2Å; L307-K311 PolarHBondContact O-N 2.69Å; L307-C338 VanDerWaalsContact CD2-SG 3.57Å; L307-K341 HydrophobicContact CD2-CB 4.15Å; L307-K341 HydrophobicContact CD2-CG 4.03Å
308E65.8Low65.3Low124 Ų12484.5 Ų84.558%0.57941%0.414SS*.Hα-helixtrans-67.1-47.2175.1-74172.9178.200111N304 A305 E306 H310 K311 E312N304-E308 WeakPolarHBondContact O-CG 3.38Å; N304-E308 PolarHBondContact O-N 3.43Å; A305-E308 PolarHBondContact O-N 2.97Å; E306-E308 VanDerWaalsContact C-N 3.34Å; E306-E308 PolarHBondContact O-N 3.36Å; E308-H310 VanDerWaalsContact C-N 3.28Å; E308-H310 PolarHBondContact O-N 2.59Å; E308-K311 PolarHBondContact O-N 2.79Å; E308-K311 VanDerWaalsContact O-N 3.16Å; E308-E312 PolarHBondContact O-N 3.23Å; E308-E312 VanDerWaalsContact O-N 3.08Å
309S60Low62.1Low25 Ų2591.1 Ų91.118%0.17544%0.443CS..Hα-helixtrans-62.2-33.317772.60000113.6A305 E306 R313 C334A305-S309 PolarHBondContact O-N 2.64Å; A305-S309 VanDerWaalsContact O-N 3.09Å; E306-S309 PolarHBondContact O-N 3.25Å; E306-S309 PolarHBondContact O-OG 3.08Å; S309-R313 PolarHBondContact O-N 2.94Å; S309-C334 WeakPolarHBondContact OG-CB 3.29Å; S309-C334 PolarHBondContact OG-SG 3.1Å
310H55.6Low59Low48 Ų4898.3 Ų98.322%0.22248%0.477CS..Hα-helixtrans-70.2-39.1176.1-167-86.9000112E306 E308 R313 E314 C338E306-H310 WeakPolarHBondContact O-CB 3.49Å; E306-H310 PolarHBondContact O-N 3.47Å; E308-H310 VanDerWaalsContact C-N 3.28Å; E308-H310 PolarHBondContact O-N 2.59Å; H310-R313 PolarHBondContact O-N 2.85Å; H310-E314 IonicContact CE1-OE1 3.86Å; H310-E314 PolarHBondContact CE1-OE1 3.2Å; H310-E314 IonicContact ND1-OE1 3.57Å; H310-E314 PolarHBondContact ND1-OE1 3.28Å; H310-E314 PolarHBondContact O-N 2.67Å; H310-C338 HydrophobicContact CB-CB 4.34Å; H310-C338 PolarHBondContact NE2-O 3.23Å
311K58.3Low56.3Low129 Ų129103.9 Ų103.956%0.56150%0.498SS*.Hα-helixtrans-66.5-38.1176.7-75.3175.4-179.6-179.50112.3L307 E308 R313 E314 Q315L307-K311 WeakPolarHBondContact O-CG 3.2Å; L307-K311 PolarHBondContact O-N 2.69Å; E308-K311 PolarHBondContact O-N 2.79Å; E308-K311 VanDerWaalsContact O-N 3.16Å; K311-R313 VanDerWaalsContact C-N 3.33Å; K311-E314 PolarHBondContact O-N 3.22Å; K311-Q315 WeakPolarHBondContact O-CB 3.28Å; K311-Q315 WeakPolarHBondContact O-CG 3.44Å; K311-Q315 PolarHBondContact O-N 2.79Å
312E57.3Low53.4Low125 Ų125100.3 Ų100.358%0.58450%0.495SS*.Hα-helixtrans-60.6-44.5173.6-70.5176174.300110.1E308 Q315 D316E308-E312 PolarHBondContact O-N 3.23Å; E308-E312 VanDerWaalsContact O-N 3.08Å; E312-Q315 PolarHBondContact O-N 3.1Å; E312-D316 WeakPolarHBondContact O-CB 3.41Å; E312-D316 VanDerWaalsContact O-CG 3.27Å; E312-D316 PolarHBondContact O-N 2.62Å
313R52.6Low50.6Low105 Ų105106.4 Ų106.440%0.39653%0.532SS..Hα-helixtrans-67.5-36.5174.3-75-176.9175.4-172.7-6.9114.9S309 H310 K311 Q315 D316 N317 E333S309-R313 PolarHBondContact O-N 2.94Å; H310-R313 PolarHBondContact O-N 2.85Å; K311-R313 VanDerWaalsContact C-N 3.33Å; R313-Q315 VanDerWaalsContact C-N 3.3Å; R313-D316 PolarHBondContact O-N 3.03Å; R313-N317 VanDerWaalsContact O-CB 3.29Å; R313-N317 WeakPolarHBondContact O-CB 3.44Å; R313-N317 PolarHBondContact O-N 3.43Å; R313-E333 IonicContact NH2-OE2 3.38Å; R313-E333 PolarHBondContact NH2-OE2 3.49Å; R313-E333 VanDerWaalsContact NH2-OE2 3.17Å
314E52Low48Very low108 Ų108112.3 Ų112.351%0.50555%0.553SS.*Hα-helixtrans-63.8-39.2173.4-79.6-178.7166.300110.8H310 K311 E318H310-E314 IonicContact CE1-OE1 3.86Å; H310-E314 PolarHBondContact CE1-OE1 3.2Å; H310-E314 IonicContact ND1-OE1 3.57Å; H310-E314 PolarHBondContact ND1-OE1 3.28Å; H310-E314 PolarHBondContact O-N 2.67Å; K311-E314 PolarHBondContact O-N 3.22Å; E314-E318 WeakPolarHBondContact O-CG 3.22Å; E314-E318 PolarHBondContact O-N 2.91Å; E314-E318 VanDerWaalsContact O-N 3.08Å
315Q47.3Very low45.8Very low108 Ų108111.5 Ų111.551%0.50556%0.564SS.*Hα-helixtrans-70.4-33175.2-71.2179.222.100113K311 E312 R313 K319K311-Q315 WeakPolarHBondContact O-CB 3.28Å; K311-Q315 WeakPolarHBondContact O-CG 3.44Å; K311-Q315 PolarHBondContact O-N 2.79Å; E312-Q315 PolarHBondContact O-N 3.1Å; R313-Q315 VanDerWaalsContact C-N 3.3Å; Q315-K319 VanDerWaalsContact O-CG 3.29Å; Q315-K319 WeakPolarHBondContact O-CG 3.35Å; Q315-K319 PolarHBondContact O-N 3.46Å
316D45.2Very low43.9Very low89 Ų89112.2 Ų112.248%0.47658%0.578SS.*Hα-helixtrans-77.3-38.1176.2-70.1-21.2000111.6E312 R313 E318 K319 E320E312-D316 WeakPolarHBondContact O-CB 3.41Å; E312-D316 VanDerWaalsContact O-CG 3.27Å; E312-D316 PolarHBondContact O-N 2.62Å; R313-D316 PolarHBondContact O-N 3.03Å; D316-E318 VanDerWaalsContact C-N 3.28Å; D316-E318 PolarHBondContact O-N 3.49Å; D316-K319 CarbonylContact O-C 3.48Å; D316-K319 WeakPolarHBondContact O-CA 3.16Å; D316-K319 PolarHBondContact O-N 3.39Å; D316-E320 WeakPolarHBondContact O-CB 3.38Å; D316-E320 PolarHBondContact O-N 2.91Å
317N41Very low42.3Very low117 Ų117115.5 Ų115.563%0.62661%0.613SS**Hα-helixtrans-67.8-26172.9-83.1-24.9000112.9R313 K319R313-N317 VanDerWaalsContact O-CB 3.29Å; R313-N317 WeakPolarHBondContact O-CB 3.44Å; R313-N317 PolarHBondContact O-N 3.43Å; N317-K319 VanDerWaalsContact C-N 3.32Å
318E35Very low40.6Very low164 Ų164117.1 Ų117.177%0.76664%0.639SS**Hα-helixtrans-74.9-20.6168.7-77.7-174.2169.100112.8E314 D316E314-E318 WeakPolarHBondContact O-CG 3.22Å; E314-E318 PolarHBondContact O-N 2.91Å; E314-E318 VanDerWaalsContact O-N 3.08Å; D316-E318 VanDerWaalsContact C-N 3.28Å; D316-E318 PolarHBondContact O-N 3.49Å
319K30.6Very low38.8Very low140 Ų140115.7 Ų115.761%0.60965%0.649SS**Hα-helixtrans-104.1-25.3-178.4-71.9176.6-174170.90114.7Q315 D316 N317 K321 D322Q315-K319 VanDerWaalsContact O-CG 3.29Å; Q315-K319 WeakPolarHBondContact O-CG 3.35Å; Q315-K319 PolarHBondContact O-N 3.46Å; D316-K319 CarbonylContact O-C 3.48Å; D316-K319 WeakPolarHBondContact O-CA 3.16Å; D316-K319 PolarHBondContact O-N 3.39Å; N317-K319 VanDerWaalsContact C-N 3.32Å; K319-K321 PolarHBondContact O-N 3.3Å; K319-D322 PolarHBondContact O-N 3.29Å; K319-D322 VanDerWaalsContact O-N 3.11Å
320E30.4Very low37.2Very low154 Ų154124.6 Ų124.672%0.7268%0.684SS**THydrogen-bonded Turntrans-76.221.8175.7-83.6-166.7154.200113.4D316 D322D316-E320 WeakPolarHBondContact O-CB 3.38Å; D316-E320 PolarHBondContact O-N 2.91Å; E320-D322 VanDerWaalsContact C-N 3.31Å
321K33.9Very low35.9Very low186 Ų186127.3 Ų127.381%0.80971%0.706SS**THydrogen-bonded Turntrans-81.4-8.2154-84-170.3176.5179.60114K319K319-K321 PolarHBondContact O-N 3.3Å
322D28.1Very low34.6Very low137 Ų137133 Ų13373%0.73372%0.724SS**SBendtrans-144.6126.3170.2-75.1-54.2000111.4K319 E320K319-D322 PolarHBondContact O-N 3.29Å; K319-D322 VanDerWaalsContact O-N 3.11Å; E320-D322 VanDerWaalsContact C-N 3.31Å
323T25.6Very low33.7Very low139 Ų139133.9 Ų133.985%0.85373%0.728SS**  trans109.7122.5157.2-29.30000117.9
324E25.4Very low33Very low183 Ų183131 Ų13186%0.85572%0.724SS**  trans-75.1155.7174.4-62.3173.1146.800114
325A27.1Very low33.1Very low110 Ų110129.2 Ų129.291%0.90972%0.722SS**  trans77.4117.7151.400000119.9
326G26Very low33.8Very low82 Ų82124.4 Ų124.485%0.84570%0.7SS**  trans168.1109.3158.400000114.5
327A28.5Very low35.5Very low114 Ų114124 Ų12494%0.94270%0.695SS**  trans-78.2138179.300000113.2
328G27.7Very low37.7Very low73 Ų73119.3 Ų119.375%0.75367%0.672SS**  trans-179.2113169.800000113.3
329A27.6Very low40.4Very low94 Ų94112.9 Ų112.978%0.77764%0.641SS**  trans32.9105.2163.500000118.4P331A329-P331 WeakPolarHBondContact O-CD 3.47Å
330K26.4Very low43.3Very low212 Ų212110.5 Ų110.592%0.92263%0.632SS**  trans-50.9105.5171.8-70.1-177.8176.1-175.50111.1
331P27.7Very low46.1Very low104 Ų104110.1 Ų110.168%0.67563%0.628SS**  trans-64.7147.1160.1-5.324.3000106.3A329 E333A329-P331 WeakPolarHBondContact O-CD 3.47Å; P331-E333 VanDerWaalsContact C-N 3.28Å; P331-E333 PolarHBondContact O-N 3.3Å
332R32.4Very low48.9Very low249 Ų249103.5 Ų103.594%0.9460%0.598SS**  trans-56.6101.9163.9-75.2177.6169.1179.1-5.5106.1C334R332-C334 PolarHBondContact O-N 2.84Å
333E36.5Very low52Low144 Ų14498 Ų9867%0.67357%0.569SS**  trans-54.7118.1-178.8-77.2-176.4-161.900108R313 P331 C335R313-E333 IonicContact NH2-OE2 3.38Å; R313-E333 PolarHBondContact NH2-OE2 3.49Å; R313-E333 VanDerWaalsContact NH2-OE2 3.17Å; P331-E333 VanDerWaalsContact C-N 3.28Å; P331-E333 PolarHBondContact O-N 3.3Å; E333-C335 PolarHBondContact O-N 3.23Å
334C39.8Very low55.4Low45 Ų4591.5 Ų91.530%0.30453%0.529SS..  trans-64.995.8169.9-167.50000106.8E306 S309 R332 S336E306-C334 WeakPolarHBondContact CG-SG 3.16Å; S309-C334 WeakPolarHBondContact OG-CB 3.29Å; S309-C334 PolarHBondContact OG-SG 3.1Å; R332-C334 PolarHBondContact O-N 2.84Å; C334-S336 PolarHBondContact O-N 3.46Å; C334-S336 PolarHBondContact SG-OG 3.29Å
335C52.7Low58.7Low70 Ų7085.8 Ų85.847%0.47350%0.499SS..  trans-80.865-176.4-168.80000109.2E333 R345E333-C335 PolarHBondContact O-N 3.23Å; C335-R345 WeakPolarHBondContact O-CD 3.38Å; C335-R345 PolarHBondContact O-NH1 2.95Å; C335-R345 PolarHBondContact SG-NH1 2.9Å
336S61.9Low62.1Low7 Ų780.6 Ų80.65%0.04946%0.457CS..  trans-122.4102177.251.10000109.5C334 C338C334-S336 PolarHBondContact O-N 3.46Å; C334-S336 PolarHBondContact SG-OG 3.29Å; S336-C338 PolarHBondContact O-N 3.46Å
337Q81.7Confident65.5Low80 Ų8076.7 Ų76.737%0.37442%0.416SS..  trans-67.3103.3160.2-80173.7-21.400106.7N343 V344 R345 D348Q337-N343 WeakPolarHBondContact O-CA 3.41Å; Q337-V344 HydrophobicContact CB-CG2 4.09Å; Q337-V344 WeakPolarHBondContact O-CG2 3.16Å; Q337-V344 PolarHBondContact O-N 2.92Å; Q337-R345 HydrophobicContact CB-CG 3.91Å; Q337-R345 HydrophobicContact CG-CG 4.29Å; Q337-D348 PolarHBondContact NE2-OD2 3.36Å; Q337-D348 VanDerWaalsContact OE1-CB 3.23Å; Q337-D348 PolarHBondContact OE1-OD2 2.79Å
338C87.9Confident68.8Low19 Ų1972.1 Ų72.113%0.12838%0.376CS..EExtended strand (participates in β ladder)trans-97.5126.3-177.8-172.90000109.7C302 L307 H310 S336 K341 R342C302-C338 PolarHBondContact SG-SG 3.19Å; L307-C338 VanDerWaalsContact CD2-SG 3.57Å; H310-C338 HydrophobicContact CB-CB 4.34Å; H310-C338 PolarHBondContact NE2-O 3.23Å; S336-C338 PolarHBondContact O-N 3.46Å; C338-K341 VanDerWaalsContact SG-CA 3.58Å; C338-R342 CarbonylContact C-O 3.55Å; C338-R342 WeakPolarHBondContact CA-O 3.29Å
339F91.2Very high72.1Confident29 Ų2969 Ų6913%0.12734%0.342CS..EExtended strand (participates in β ladder)trans-134.6120.5177.5-173.4-101000109.9K341 R342 V344 V387 H390 Y391 Q394F339-K341 PolarHBondContact O-N 3.07Å; F339-K341 VanDerWaalsContact O-N 3.16Å; F339-R342 PolarHBondContact N-O 3.01Å; F339-R342 PolarHBondContact O-N 3.02Å; F339-V344 HydrophobicContact CB-CB 4.36Å; F339-V344 HydrophobicContact CB-CG1 3.73Å; F339-V344 HydrophobicContact CB-CG2 3.69Å; F339-V344 HydrophobicContact CD1-CG1 4.49Å; F339-V344 HydrophobicContact CG-CG1 4.5Å; F339-V387 HydrophobicContact CD1-CG1 3.76Å; F339-V387 HydrophobicContact CE1-CG1 4.26Å; F339-H390 HydrophobicContact CE1-CB 4.13Å; F339-H390 AromaticContact CE1-CD2 3.45Å; F339-H390 VanDerWaalsContact CE1-CD2 3.45Å; F339-H390 WeakPolarHBondContact CE1-CD2 3.48Å; F339-H390 HydrophobicContact CZ-CB 4.46Å; F339-H390 AromaticContact CZ-CD2 3.12Å; F339-H390 WeakPolarHBondContact CZ-CD2 3.39Å; F339-H390 AromaticContact CZ-NE2 3.73Å; F339-Y391 HydrophobicContact CB-CD2 4.22Å; F339-Y391 HydrophobicContact CD1-CD2 4.15Å; F339-Y391 HydrophobicContact CD1-CG 4.32Å; F339-Y391 HydrophobicContact CD2-CD2 4.06Å; F339-Y391 HydrophobicContact CE1-CD2 4.48Å; F339-Y391 HydrophobicContact CE2-CD2 4.42Å; F339-Y391 AromaticContact CG-CD2 3.88Å; F339-Y391 HydrophobicContact CG-CD2 3.88Å; F339-Y391 HydrophobicContact CG-CG 4.47Å; F339-Q394 HydrophobicContact CZ-CG 4.49Å
340E90.2Very high75.5Confident90 Ų9064.5 Ų64.542%0.42131%0.305SS..THydrogen-bonded Turntrans45.743.4-170.9-63.1-171.1-148.800113.5R342 V387 H390E340-R342 VanDerWaalsContact C-N 3.25Å; E340-R342 PolarHBondContact O-N 3.45Å; E340-V387 HydrophobicContact CB-CG1 3.92Å; E340-V387 HydrophobicContact CB-CG2 4.29Å; E340-V387 HydrophobicContact CG-CG1 4.48Å; E340-V387 WeakPolarHBondContact OE2-CG2 3.41Å; E340-H390 IonicContact OE1-CD2 3.79Å; E340-H390 PolarHBondContact OE1-CD2 3.48Å; E340-H390 IonicContact OE1-CG 2.87Å; E340-H390 IonicContact OE1-NE2 3.36Å
341K90.1Very high78.9Confident146 Ų14654.4 Ų54.464%0.63526%0.262SS*.THydrogen-bonded Turntrans66.218.9-176.7-48.1174.6179.4177.10114.9R301 C302 L307 C338 F339R301-K341 WeakPolarHBondContact CA-O 3.4Å; C302-K341 PolarHBondContact N-O 3.28Å; L307-K341 HydrophobicContact CD2-CB 4.15Å; L307-K341 HydrophobicContact CD2-CG 4.03Å; C338-K341 VanDerWaalsContact SG-CA 3.58Å; F339-K341 PolarHBondContact O-N 3.07Å; F339-K341 VanDerWaalsContact O-N 3.16Å
342R92.8Very high82.2Confident46 Ų4653.1 Ų53.117%0.17424%0.243CC..EExtended strand (participates in β ladder)trans-117.9144.5172.7-62.5-148.8-119.5-136.76112.2T299 L300 C338 F339 E340 V344 D385 V387T299-R342 WeakPolarHBondContact O-CD 3.46Å; L300-R342 CarbonylContact O-C 3.52Å; L300-R342 VanDerWaalsContact O-CA 3.25Å; L300-R342 WeakPolarHBondContact O-CA 3.31Å; C338-R342 CarbonylContact C-O 3.55Å; C338-R342 WeakPolarHBondContact CA-O 3.29Å; F339-R342 PolarHBondContact N-O 3.01Å; F339-R342 PolarHBondContact O-N 3.02Å; E340-R342 VanDerWaalsContact C-N 3.25Å; E340-R342 PolarHBondContact O-N 3.45Å; R342-V344 PolarHBondContact O-N 2.92Å; R342-D385 IonicContact CZ-OD1 3.16Å; R342-D385 IonicContact CZ-OD2 3.21Å; R342-D385 IonicContact NE-OD2 3.12Å; R342-D385 IonicContact NH1-OD1 3.7Å; R342-D385 IonicContact NH2-OD1 3.05Å; R342-D385 PolarHBondContact NH2-OD1 3.11Å; R342-D385 IonicContact NH2-OD2 3.12Å; R342-D385 PolarHBondContact NH2-OD2 3.2Å; R342-V387 HydrophobicContact CB-CG1 4.42Å; R342-V387 HydrophobicContact CG-CG1 4.38Å
343N94Very high85.3Confident23 Ų2341.4 Ų41.412%0.12320%0.199CC..EExtended strand (participates in β ladder)trans-77.5114.4172.7-174.8-26000108.7T299 L300 C302 Q337 R345T299-N343 VanDerWaalsContact CA-O 3.24Å; T299-N343 WeakPolarHBondContact CA-O 3.38Å; T299-N343 WeakPolarHBondContact CB-O 3.24Å; L300-N343 PolarHBondContact O-N 3.42Å; C302-N343 PolarHBondContact SG-N 3.23Å; Q337-N343 WeakPolarHBondContact O-CA 3.41Å; N343-R345 WeakPolarHBondContact OD1-CB 3.5Å; N343-R345 WeakPolarHBondContact OD1-CG 3.37Å; N343-R345 PolarHBondContact OD1-N 3.43Å; N343-R345 VanDerWaalsContact OD1-N 3.1Å
344V95.6Very high88.2Confident2 Ų234.5 Ų34.51%0.01217%0.167CC..  trans-104.49.1-176.2-680000114T299 Q337 F339 R342 S346 L347 D348 Y391T299-V344 HydrophobicContact CG2-CG1 4.04Å; Q337-V344 HydrophobicContact CB-CG2 4.09Å; Q337-V344 WeakPolarHBondContact O-CG2 3.16Å; Q337-V344 PolarHBondContact O-N 2.92Å; F339-V344 HydrophobicContact CB-CB 4.36Å; F339-V344 HydrophobicContact CB-CG1 3.73Å; F339-V344 HydrophobicContact CB-CG2 3.69Å; F339-V344 HydrophobicContact CD1-CG1 4.49Å; F339-V344 HydrophobicContact CG-CG1 4.5Å; R342-V344 PolarHBondContact O-N 2.92Å; V344-S346 PolarHBondContact O-N 3.05Å; V344-S346 VanDerWaalsContact O-N 3.15Å; V344-L347 HydrophobicContact CB-CD1 4.48Å; V344-L347 HydrophobicContact CG1-CD1 4.33Å; V344-L347 WeakPolarHBondContact O-CA 3.39Å; V344-L347 WeakPolarHBondContact O-CB 3.35Å; V344-L347 PolarHBondContact O-N 3.46Å; V344-D348 PolarHBondContact O-N 2.95Å; V344-Y391 HydrophobicContact CB-CD1 4.05Å; V344-Y391 HydrophobicContact CB-CD2 4.21Å; V344-Y391 HydrophobicContact CB-CE1 4.06Å; V344-Y391 HydrophobicContact CB-CE2 4.23Å; V344-Y391 HydrophobicContact CB-CG 4.12Å; V344-Y391 HydrophobicContact CG1-CD1 4.36Å; V344-Y391 HydrophobicContact CG1-CD2 4.37Å; V344-Y391 HydrophobicContact CG1-CG 4.1Å; V344-Y391 HydrophobicContact CG2-CD1 4.44Å; V344-Y391 HydrophobicContact CG2-CD2 3.8Å; V344-Y391 HydrophobicContact CG2-CE1 4.22Å; V344-Y391 HydrophobicContact CG2-CE2 3.57Å; V344-Y391 HydrophobicContact CG2-CG 4.24Å
345R95.9Very high90.9Very high62 Ų6236.6 Ų36.623%0.23417%0.168CC..Hα-helixtrans-54.7-37.6-178.4-74.1-179.760.6-158.2-3.9113.5L266 C335 Q337 N343 L347 D348 V349L266-R345 HydrophobicContact CD2-CB 3.41Å; L266-R345 VanDerWaalsContact CD2-CB 3.41Å; C335-R345 WeakPolarHBondContact O-CD 3.38Å; C335-R345 PolarHBondContact O-NH1 2.95Å; C335-R345 PolarHBondContact SG-NH1 2.9Å; Q337-R345 HydrophobicContact CB-CG 3.91Å; Q337-R345 HydrophobicContact CG-CG 4.29Å; N343-R345 WeakPolarHBondContact OD1-CB 3.5Å; N343-R345 WeakPolarHBondContact OD1-CG 3.37Å; N343-R345 PolarHBondContact OD1-N 3.43Å; N343-R345 VanDerWaalsContact OD1-N 3.1Å; R345-L347 VanDerWaalsContact C-N 3.29Å; R345-L347 PolarHBondContact O-N 3.16Å; R345-D348 WeakPolarHBondContact O-CB 3.4Å; R345-D348 PolarHBondContact O-N 3.31Å; R345-V349 WeakPolarHBondContact O-CG2 3.43Å; R345-V349 PolarHBondContact O-N 2.83Å
346S97.3Very high92.8Very high1 Ų137 Ų371%0.00716%0.163CC..Hα-helixtrans-62.1-38.4177.1-36.80000111.8R262 L298 V344 V349 L350R262-S346 VanDerWaalsContact CG-OG 3.27Å; R262-S346 WeakPolarHBondContact CG-OG 3.28Å; L298-S346 WeakPolarHBondContact O-CB 3.47Å; L298-S346 PolarHBondContact O-OG 3.4Å; V344-S346 PolarHBondContact O-N 3.05Å; V344-S346 VanDerWaalsContact O-N 3.15Å; S346-V349 PolarHBondContact O-N 3.46Å; S346-L350 WeakPolarHBondContact O-CG 3.35Å; S346-L350 PolarHBondContact O-N 3.07Å
347L97.8Very high94.3Very high0 Ų036.9 Ų36.90%016%0.162CC..Hα-helixtrans-70-39.6175.3-61.7-178.6000111.3T299 V344 R345 V349 L350 L351 C381 M388 Y391 L392T299-L347 HydrophobicContact CG2-CD1 3.7Å; T299-L347 HydrophobicContact CG2-CG 3.81Å; V344-L347 HydrophobicContact CB-CD1 4.48Å; V344-L347 HydrophobicContact CG1-CD1 4.33Å; V344-L347 WeakPolarHBondContact O-CA 3.39Å; V344-L347 WeakPolarHBondContact O-CB 3.35Å; V344-L347 PolarHBondContact O-N 3.46Å; R345-L347 VanDerWaalsContact C-N 3.29Å; R345-L347 PolarHBondContact O-N 3.16Å; L347-V349 VanDerWaalsContact C-N 3.3Å; L347-V349 PolarHBondContact O-N 3.25Å; L347-L350 HydrophobicContact CD2-CD1 4.19Å; L347-L350 WeakPolarHBondContact O-CB 3.27Å; L347-L350 PolarHBondContact O-N 3.24Å; L347-L350 VanDerWaalsContact O-N 3.15Å; L347-L351 WeakPolarHBondContact O-CG 3.37Å; L347-L351 PolarHBondContact O-N 2.97Å; L347-C381 HydrophobicContact CD2-CB 4.29Å; L347-M388 HydrophobicContact CD1-CB 3.99Å; L347-M388 HydrophobicContact CD1-CG 3.97Å; L347-Y391 HydrophobicContact CB-CD1 3.81Å; L347-Y391 HydrophobicContact CB-CE1 3.68Å; L347-Y391 HydrophobicContact CD1-CD1 3.67Å; L347-Y391 HydrophobicContact CD1-CE1 4.39Å; L347-Y391 HydrophobicContact CD1-CG 4.47Å; L347-Y391 HydrophobicContact CG-CD1 4.42Å; L347-L392 HydrophobicContact CB-CD2 4.37Å; L347-L392 HydrophobicContact CD1-CG 4.48Å
348D97.3Very high94.8Very high19 Ų1933.2 Ų33.210%0.10215%0.145CC..Hα-helixtrans-59.7-40.6174.2-178.950.3000111.8Q337 V344 R345 L350 L351 R352 Y391Q337-D348 PolarHBondContact NE2-OD2 3.36Å; Q337-D348 VanDerWaalsContact OE1-CB 3.23Å; Q337-D348 PolarHBondContact OE1-OD2 2.79Å; V344-D348 PolarHBondContact O-N 2.95Å; R345-D348 WeakPolarHBondContact O-CB 3.4Å; R345-D348 PolarHBondContact O-N 3.31Å; D348-L350 PolarHBondContact O-N 2.76Å; D348-L351 PolarHBondContact O-N 2.86Å; D348-R352 WeakPolarHBondContact O-CB 3.4Å; D348-R352 PolarHBondContact O-N 2.96Å; D348-R352 IonicContact OD1-NH2 3.66Å; D348-R352 IonicContact OD2-CZ 3.25Å; D348-R352 IonicContact OD2-NH1 2.62Å; D348-R352 IonicContact OD2-NH2 2.6Å; D348-R352 PolarHBondContact OD2-NH2 2.72Å; D348-Y391 WeakPolarHBondContact CB-OH 3.49Å
349V98.1Very high95Very high7 Ų735 Ų354%0.04216%0.161CC..Hα-helixtrans-60.6-43.3172.8172.40000111.6L265 G269 V280 R345 S346 L347 L351 R352 Y353L265-V349 HydrophobicContact CB-CG1 4.25Å; L265-V349 HydrophobicContact CD2-CG1 4.11Å; G269-V349 VanDerWaalsContact CA-CG1 3.5Å; V280-V349 HydrophobicContact CG1-CG1 4.43Å; R345-V349 WeakPolarHBondContact O-CG2 3.43Å; R345-V349 PolarHBondContact O-N 2.83Å; S346-V349 PolarHBondContact O-N 3.46Å; L347-V349 VanDerWaalsContact C-N 3.3Å; L347-V349 PolarHBondContact O-N 3.25Å; V349-L351 VanDerWaalsContact C-N 3.34Å; V349-L351 PolarHBondContact O-N 3.19Å; V349-R352 PolarHBondContact O-N 2.8Å; V349-Y353 WeakPolarHBondContact O-CB 3.03Å; V349-Y353 PolarHBondContact O-N 3.34Å
350L98.5Very high94.8Very high0 Ų036.5 Ų36.50%017%0.169CC..Hα-helixtrans-62-41.7175.4-63.9175.1000111.8L265 I284 S346 L347 D348 Y353 L354 V374 V377 L378L265-L350 HydrophobicContact CD1-CD2 4.32Å; I284-L350 HydrophobicContact CD1-CD2 3.92Å; I284-L350 HydrophobicContact CG1-CD2 3.62Å; S346-L350 WeakPolarHBondContact O-CG 3.35Å; S346-L350 PolarHBondContact O-N 3.07Å; L347-L350 HydrophobicContact CD2-CD1 4.19Å; L347-L350 WeakPolarHBondContact O-CB 3.27Å; L347-L350 PolarHBondContact O-N 3.24Å; L347-L350 VanDerWaalsContact O-N 3.15Å; D348-L350 PolarHBondContact O-N 2.76Å; L350-Y353 PolarHBondContact O-N 3.2Å; L350-L354 WeakPolarHBondContact O-CB 3.48Å; L350-L354 PolarHBondContact O-N 3.5Å; L350-V374 HydrophobicContact CB-CG2 4.41Å; L350-V377 HydrophobicContact CD1-CG1 3.77Å; L350-V377 HydrophobicContact CD2-CG1 4.48Å; L350-L378 HydrophobicContact CB-CD2 4.01Å; L350-L378 HydrophobicContact CD1-CD2 4.26Å
351L98.3Very high94.7Very high0 Ų034 Ų340%016%0.157CC..Hα-helixtrans-67.5-40.7177.4-69.2170.3000111.9L347 D348 V349 L354 R355 L378 Y391 L392 E395 I396 L413L347-L351 WeakPolarHBondContact O-CG 3.37Å; L347-L351 PolarHBondContact O-N 2.97Å; D348-L351 PolarHBondContact O-N 2.86Å; V349-L351 VanDerWaalsContact C-N 3.34Å; V349-L351 PolarHBondContact O-N 3.19Å; L351-L354 PolarHBondContact O-N 2.91Å; L351-R355 WeakPolarHBondContact O-CG 3.23Å; L351-R355 PolarHBondContact O-N 2.97Å; L351-L378 HydrophobicContact CD2-CD1 4.42Å; L351-L378 HydrophobicContact CD2-CD2 4.39Å; L351-Y391 HydrophobicContact CD1-CE1 3.99Å; L351-L392 HydrophobicContact CD1-CD2 3.99Å; L351-L392 HydrophobicContact CD2-CD2 4Å; L351-L392 HydrophobicContact CG-CD2 4.05Å; L351-E395 HydrophobicContact CD1-CB 3.53Å; L351-E395 HydrophobicContact CD1-CG 3.59Å; L351-I396 HydrophobicContact CD2-CD1 3.91Å; L351-I396 HydrophobicContact CD2-CG1 3.89Å; L351-L413 HydrophobicContact CD2-CD1 3.86Å
352R96.9Very high94.5Very high76 Ų7632.1 Ų32.129%0.28715%0.15SC..Hα-helixtrans-61.2-46.9173.6-174.6-175.2-61.699.613.7111.2G269 L271 D348 V349 L354 R355 Q356G269-R352 PolarHBondContact O-NH1 3.49Å; L271-R352 HydrophobicContact CD1-CG 4.31Å; D348-R352 WeakPolarHBondContact O-CB 3.4Å; D348-R352 PolarHBondContact O-N 2.96Å; D348-R352 IonicContact OD1-NH2 3.66Å; D348-R352 IonicContact OD2-CZ 3.25Å; D348-R352 IonicContact OD2-NH1 2.62Å; D348-R352 IonicContact OD2-NH2 2.6Å; D348-R352 PolarHBondContact OD2-NH2 2.72Å; V349-R352 PolarHBondContact O-N 2.8Å; R352-L354 VanDerWaalsContact C-N 3.31Å; R352-L354 PolarHBondContact O-N 3.19Å; R352-R355 PolarHBondContact O-N 3.32Å; R352-Q356 PolarHBondContact O-N 2.61Å
353Y97.5Very high94.1Very high3 Ų334 Ų341%0.01218%0.176CC..Hα-helixtrans-58.2-44175-178.8-86.4000111.4L271 R277 V280 T281 I284 V349 L350 Q356 S357 V374L271-Y353 HydrophobicContact CD1-CD2 4.41Å; L271-Y353 HydrophobicContact CD2-CD2 4.42Å; R277-Y353 HydrophobicContact CG-CE2 4.49Å; V280-Y353 HydrophobicContact CG1-CD2 3.82Å; V280-Y353 HydrophobicContact CG1-CE2 4.38Å; V280-Y353 HydrophobicContact CG1-CG 4.43Å; T281-Y353 VanDerWaalsContact OG1-CE2 3.3Å; T281-Y353 WeakPolarHBondContact OG1-CE2 3.39Å; T281-Y353 PolarHBondContact OG1-OH 3.02Å; I284-Y353 HydrophobicContact CD1-CD1 3.46Å; I284-Y353 VanDerWaalsContact CD1-CD1 3.46Å; I284-Y353 HydrophobicContact CD1-CD2 3.86Å; I284-Y353 HydrophobicContact CD1-CE1 3.79Å; I284-Y353 HydrophobicContact CD1-CE2 4.14Å; I284-Y353 HydrophobicContact CD1-CG 3.5Å; V349-Y353 WeakPolarHBondContact O-CB 3.03Å; V349-Y353 PolarHBondContact O-N 3.34Å; L350-Y353 PolarHBondContact O-N 3.2Å; Y353-Q356 PolarHBondContact O-N 3.18Å; Y353-S357 VanDerWaalsContact CE1-OG 3.31Å; Y353-S357 WeakPolarHBondContact CE1-OG 3.23Å; Y353-S357 WeakPolarHBondContact O-CB 3.48Å; Y353-S357 PolarHBondContact O-N 3.28Å; Y353-S357 PolarHBondContact O-OG 3.47Å; Y353-V374 HydrophobicContact CD1-CB 3.95Å; Y353-V374 HydrophobicContact CD1-CG1 4.09Å; Y353-V374 HydrophobicContact CD1-CG2 4.05Å; Y353-V374 HydrophobicContact CE1-CB 4.17Å; Y353-V374 HydrophobicContact CE1-CG1 4.19Å
354L97.1Very high93.4Very high0 Ų038 Ų380%019%0.194CC..Hα-helixtrans-60.2-50.5175.5175.461.3000111.5L350 L351 R352 Q356 S357 L358 L371 V374 L375 L378 L413L350-L354 WeakPolarHBondContact O-CB 3.48Å; L350-L354 PolarHBondContact O-N 3.5Å; L351-L354 PolarHBondContact O-N 2.91Å; R352-L354 VanDerWaalsContact C-N 3.31Å; R352-L354 PolarHBondContact O-N 3.19Å; L354-Q356 VanDerWaalsContact C-N 3.3Å; L354-Q356 PolarHBondContact O-N 3.48Å; L354-S357 PolarHBondContact O-N 2.9Å; L354-L358 HydrophobicContact CD1-CD1 4Å; L354-L358 HydrophobicContact CD1-CG 4.07Å; L354-L358 HydrophobicContact CG-CD1 3.96Å; L354-L358 HydrophobicContact CG-CG 4.47Å; L354-L358 VanDerWaalsContact O-CG 3.26Å; L354-L358 WeakPolarHBondContact O-CG 3.48Å; L354-L358 PolarHBondContact O-N 2.88Å; L354-L371 HydrophobicContact CD1-CD2 3.62Å; L354-V374 HydrophobicContact CB-CG1 4.37Å; L354-V374 HydrophobicContact CB-CG2 4.19Å; L354-V374 HydrophobicContact CD1-CG1 3.96Å; L354-L375 HydrophobicContact CD1-CD2 4.11Å; L354-L375 HydrophobicContact CD1-CG 4.43Å; L354-L375 HydrophobicContact CD2-CD2 4.18Å; L354-L378 HydrophobicContact CD2-CD1 3.73Å; L354-L413 HydrophobicContact CD2-CD2 3.88Å; L354-L413 HydrophobicContact CG-CD2 4Å
355R95.6Very high92.1Very high89 Ų8943.5 Ų43.534%0.33624%0.239SC..Hα-helixtrans-56.1-44.6178.3-71.9179.2-174.7111.5-5.9111.6L351 R352 L358 A359 E395 L413L351-R355 WeakPolarHBondContact O-CG 3.23Å; L351-R355 PolarHBondContact O-N 2.97Å; R352-R355 PolarHBondContact O-N 3.32Å; R355-L358 PolarHBondContact O-N 3.43Å; R355-A359 PolarHBondContact O-N 3.36Å; R355-A359 VanDerWaalsContact O-N 3.1Å; R355-E395 IonicContact CZ-OE2 2.7Å; R355-E395 IonicContact NH2-OE2 3.45Å; R355-E395 PolarHBondContact NH2-OE2 3.25Å; R355-L413 HydrophobicContact CG-CD1 4.23Å; R355-L413 HydrophobicContact CG-CD2 3.63Å; R355-L413 HydrophobicContact CG-CG 3.98Å
356Q93.3Very high90.3Very high79 Ų7942.5 Ų42.537%0.36924%0.242SC..Hα-helixtrans-71-37.9179.7-169.1167.52000113.1R277 R352 Y353 L354 L358 A359 Q360R277-Q356 VanDerWaalsContact CZ-OE1 3.24Å; R352-Q356 PolarHBondContact O-N 2.61Å; Y353-Q356 PolarHBondContact O-N 3.18Å; L354-Q356 VanDerWaalsContact C-N 3.3Å; L354-Q356 PolarHBondContact O-N 3.48Å; Q356-L358 VanDerWaalsContact C-N 3.31Å; Q356-L358 PolarHBondContact O-N 2.81Å; Q356-A359 PolarHBondContact O-N 3.31Å; Q356-Q360 PolarHBondContact O-N 3.39Å
357S93.2Very high88.7Confident4 Ų445.6 Ų45.63%0.02826%0.263CS..Hα-helixtrans-65.6-35.8176.4-58.10000111.7Y353 L354 Q360 Q361Y353-S357 VanDerWaalsContact CE1-OG 3.31Å; Y353-S357 WeakPolarHBondContact CE1-OG 3.23Å; Y353-S357 WeakPolarHBondContact O-CB 3.48Å; Y353-S357 PolarHBondContact O-N 3.28Å; Y353-S357 PolarHBondContact O-OG 3.47Å; L354-S357 PolarHBondContact O-N 2.9Å; S357-Q360 PolarHBondContact O-N 2.85Å; S357-Q361 WeakPolarHBondContact O-CB 3.3Å; S357-Q361 PolarHBondContact O-N 2.91Å
358L93.1Very high87.8Confident2 Ų249.2 Ų49.21%0.0128%0.28CS..Hα-helixtrans-64.2-48173-71.6167.4000111.2L354 R355 Q356 Q360 Q361 E362 L371 L413 H416 F420L354-L358 HydrophobicContact CD1-CD1 4Å; L354-L358 HydrophobicContact CD1-CG 4.07Å; L354-L358 HydrophobicContact CG-CD1 3.96Å; L354-L358 HydrophobicContact CG-CG 4.47Å; L354-L358 VanDerWaalsContact O-CG 3.26Å; L354-L358 WeakPolarHBondContact O-CG 3.48Å; L354-L358 PolarHBondContact O-N 2.88Å; R355-L358 PolarHBondContact O-N 3.43Å; Q356-L358 VanDerWaalsContact C-N 3.31Å; Q356-L358 PolarHBondContact O-N 2.81Å; L358-Q360 VanDerWaalsContact C-N 3.28Å; L358-Q360 PolarHBondContact O-N 3.44Å; L358-Q361 PolarHBondContact O-N 3.22Å; L358-E362 PolarHBondContact O-N 3.16Å; L358-L371 HydrophobicContact CD2-CD1 4.06Å; L358-L371 HydrophobicContact CD2-CD2 3.86Å; L358-L371 HydrophobicContact CG-CD2 3.94Å; L358-L413 HydrophobicContact CD1-CD2 3.8Å; L358-H416 HydrophobicContact CD1-CB 3.78Å; L358-H416 HydrophobicContact CD2-CB 4.16Å; L358-F420 HydrophobicContact CD2-CE1 4.4Å; L358-F420 HydrophobicContact CD2-CE2 3.61Å; L358-F420 HydrophobicContact CD2-CZ 3.35Å
359A90.5Very high87.2Confident57 Ų5755.3 Ų55.347%0.47131%0.308SS..Hα-helixtrans-60.1-38.2176.600000112.2R355 Q356 E362 A363R355-A359 PolarHBondContact O-N 3.36Å; R355-A359 VanDerWaalsContact O-N 3.1Å; Q356-A359 PolarHBondContact O-N 3.31Å; A359-E362 PolarHBondContact O-N 3.47Å; A359-A363 WeakPolarHBondContact O-CB 3.45Å; A359-A363 PolarHBondContact O-N 3.34Å; A359-A363 VanDerWaalsContact O-N 3.15Å
360Q88.7Confident86.8Confident60 Ų6057.7 Ų57.728%0.2832%0.321SS..Hα-helixtrans-65.8-43.6175-174.3176.61.100112Q356 S357 L358 E362 A363 E364Q356-Q360 PolarHBondContact O-N 3.39Å; S357-Q360 PolarHBondContact O-N 2.85Å; L358-Q360 VanDerWaalsContact C-N 3.28Å; L358-Q360 PolarHBondContact O-N 3.44Å; Q360-E362 VanDerWaalsContact C-N 3.25Å; Q360-E362 PolarHBondContact O-N 2.99Å; Q360-A363 PolarHBondContact O-N 3Å; Q360-E364 PolarHBondContact NE2-OE2 2.63Å; Q360-E364 PolarHBondContact O-N 3.15Å; Q360-E364 VanDerWaalsContact O-O 3.1Å
361Q87.3Confident86.6Confident39 Ų3957.9 Ų57.918%0.18232%0.321CS..Hα-helixtrans-63.6-30177.9-165.5-147.7-34.500112.7S357 L358 E364 L371S357-Q361 WeakPolarHBondContact O-CB 3.3Å; S357-Q361 PolarHBondContact O-N 2.91Å; L358-Q361 PolarHBondContact O-N 3.22Å; Q361-E364 CarbonylContact C-O 3.56Å; Q361-E364 VanDerWaalsContact C-O 3.3Å; Q361-E364 WeakPolarHBondContact CA-O 3.39Å; Q361-L371 HydrophobicContact CB-CD1 4.44Å; Q361-L371 HydrophobicContact CG-CD1 4.4Å
362E84.7Confident86.4Confident105 Ų10559.4 Ų59.449%0.49133%0.332SS..Hα-helixtrans-76.1-33.9175-69.6-171.3165.400112.3L358 A359 Q360 H416 R419L358-E362 PolarHBondContact O-N 3.16Å; A359-E362 PolarHBondContact O-N 3.47Å; Q360-E362 VanDerWaalsContact C-N 3.25Å; Q360-E362 PolarHBondContact O-N 2.99Å; E362-H416 IonicContact OE1-CD2 3.44Å; E362-H416 IonicContact OE1-NE2 2.63Å; E362-H416 PolarHBondContact OE1-NE2 3.45Å; E362-R419 IonicContact OE1-NH1 3.16Å; E362-R419 PolarHBondContact OE1-NH1 3.44Å
363A84.8Confident86.4Confident86 Ų8656.8 Ų56.871%0.71133%0.325SS*.Hα-helixtrans-82.3-47-17800000113.2A359 Q360A359-A363 WeakPolarHBondContact O-CB 3.45Å; A359-A363 PolarHBondContact O-N 3.34Å; A359-A363 VanDerWaalsContact O-N 3.15Å; Q360-A363 PolarHBondContact O-N 3Å
364E79.3Confident86.5Confident108 Ų10856.6 Ų56.651%0.50532%0.324SS..SBendtrans-104.7119.5173.6-61.4166-174.400104.5Q360 Q361 S366Q360-E364 PolarHBondContact NE2-OE2 2.63Å; Q360-E364 PolarHBondContact O-N 3.15Å; Q360-E364 VanDerWaalsContact O-O 3.1Å; Q361-E364 CarbonylContact C-O 3.56Å; Q361-E364 VanDerWaalsContact C-O 3.3Å; Q361-E364 WeakPolarHBondContact CA-O 3.39Å; E364-S366 PolarHBondContact O-N 3.1Å; E364-S366 PolarHBondContact O-OG 2.9Å
365A68.5Low86.5Confident116 Ų11656.6 Ų56.696%0.95932%0.324SS*.  trans-67.557.7172.500000110.7
366S57.4Low86.6Confident41 Ų4154.1 Ų54.129%0.28732%0.319SS..  trans-99.9165.9-168.566.50000110.4E364E364-S366 PolarHBondContact O-N 3.1Å; E364-S366 PolarHBondContact O-OG 2.9Å
367S64.9Low86.8Confident66 Ų6650.4 Ų50.446%0.46230%0.301SS..  trans-64142.3-164.9-169.60000113.3E369S367-E369 WeakPolarHBondContact CB-OE1 3.47Å; S367-E369 PolarHBondContact O-N 3.04Å; S367-E369 VanDerWaalsContact OG-CG 3.27Å; S367-E369 WeakPolarHBondContact OG-CG 3.42Å; S367-E369 PolarHBondContact OG-OE1 3.37Å
368H79.1Confident87.1Confident76 Ų7650.2 Ų50.235%0.35230%0.3SS..G310 helixtrans-61.4-2173.5-59.9149.1000114.5L370 L371 S372 A425 L428H368-L370 VanDerWaalsContact C-N 3.3Å; H368-L370 PolarHBondContact O-N 3.19Å; H368-L371 PolarHBondContact O-N 3.29Å; H368-S372 PolarHBondContact O-N 2.92Å; H368-A425 WeakPolarHBondContact CE1-CB 3.3Å; H368-L428 HydrophobicContact CB-CD1 3.64Å; H368-L428 HydrophobicContact CB-CD2 4.28Å; H368-L428 HydrophobicContact CB-CG 3.93Å; H368-L428 WeakPolarHBondContact CD2-CD1 3.36Å
369E84.1Confident87.4Confident148 Ų14850.7 Ų50.769%0.69230%0.303SS*.G310 helixtrans-58.6-33.7-176.3-77.8163.5-135.200113.8S367 P373S367-E369 WeakPolarHBondContact CB-OE1 3.47Å; S367-E369 PolarHBondContact O-N 3.04Å; S367-E369 VanDerWaalsContact OG-CG 3.27Å; S367-E369 WeakPolarHBondContact OG-CG 3.42Å; S367-E369 PolarHBondContact OG-OE1 3.37Å; E369-P373 WeakPolarHBondContact O-CD 3.49Å
370L89.4Confident87.7Confident57 Ų5750.3 Ų50.330%0.29829%0.291SS..G310 helixtrans-75.8-27.2-179.8-62.7179.8000113.3T281 H368T281-L370 HydrophobicContact CG2-CD2 4.41Å; H368-L370 VanDerWaalsContact C-N 3.3Å; H368-L370 PolarHBondContact O-N 3.19Å
371L94.7Very high88.1Confident3 Ų347.5 Ų47.52%0.01628%0.278CS..Hα-helixtrans-87.1-36.8-173.2-69.4170.1000112.9L354 L358 Q361 H368 V374 L375 F420 L428L354-L371 HydrophobicContact CD1-CD2 3.62Å; L358-L371 HydrophobicContact CD2-CD1 4.06Å; L358-L371 HydrophobicContact CD2-CD2 3.86Å; L358-L371 HydrophobicContact CG-CD2 3.94Å; Q361-L371 HydrophobicContact CB-CD1 4.44Å; Q361-L371 HydrophobicContact CG-CD1 4.4Å; H368-L371 PolarHBondContact O-N 3.29Å; L371-V374 VanDerWaalsContact O-CG1 3.22Å; L371-V374 WeakPolarHBondContact O-CG1 3.42Å; L371-V374 PolarHBondContact O-N 3.28Å; L371-L375 HydrophobicContact CB-CD1 4.49Å; L371-L375 WeakPolarHBondContact O-CB 3.45Å; L371-L375 VanDerWaalsContact O-CG 3.3Å; L371-L375 WeakPolarHBondContact O-CG 3.49Å; L371-L375 PolarHBondContact O-N 3.15Å; L371-F420 HydrophobicContact CD1-CE2 4.11Å; L371-F420 HydrophobicContact CD1-CZ 3.8Å; L371-L428 HydrophobicContact CB-CD2 3.78Å; L371-L428 HydrophobicContact CD1-CD1 4.15Å
372S94.9Very high88.6Confident32 Ų3245.6 Ų45.622%0.22427%0.269CS..Hα-helixtrans-57.4-46.7-177.1175.50000113H368 T376 I427 L431H368-S372 PolarHBondContact O-N 2.92Å; S372-T376 WeakPolarHBondContact O-CB 3.35Å; S372-T376 PolarHBondContact O-N 2.94Å; S372-T376 PolarHBondContact O-OG1 2.85Å; S372-I427 WeakPolarHBondContact OG-CG2 3.06Å; S372-L431 WeakPolarHBondContact OG-CD1 3.4Å
373P97Very high89.1Confident21 Ų2146 Ų4614%0.13627%0.266CS..Hα-helixtrans-62.3-48.1178.5-25.436.7000113.2I284 N285 T288 E369 L375 T376 V377I284-P373 HydrophobicContact CG2-CB 3.92Å; N285-P373 WeakPolarHBondContact OD1-CB 3.25Å; N285-P373 WeakPolarHBondContact OD1-CG 3.48Å; T288-P373 HydrophobicContact CG2-CB 3.88Å; E369-P373 WeakPolarHBondContact O-CD 3.49Å; P373-L375 PolarHBondContact O-N 3.12Å; P373-T376 WeakPolarHBondContact O-CB 3.28Å; P373-T376 PolarHBondContact O-N 3Å; P373-V377 WeakPolarHBondContact O-CG2 3.43Å; P373-V377 PolarHBondContact O-N 2.89Å
374V98Very high89.5Confident0 Ų043.8 Ų43.80%025%0.246CC..Hα-helixtrans-65.2-41.2-178.662.40000111.7I284 L350 Y353 L354 L371 T376 V377 L378I284-V374 HydrophobicContact CD1-CB 4.49Å; I284-V374 HydrophobicContact CD1-CG2 4.45Å; I284-V374 HydrophobicContact CG2-CB 4.02Å; L350-V374 HydrophobicContact CB-CG2 4.41Å; Y353-V374 HydrophobicContact CD1-CB 3.95Å; Y353-V374 HydrophobicContact CD1-CG1 4.09Å; Y353-V374 HydrophobicContact CD1-CG2 4.05Å; Y353-V374 HydrophobicContact CE1-CB 4.17Å; Y353-V374 HydrophobicContact CE1-CG1 4.19Å; L354-V374 HydrophobicContact CB-CG1 4.37Å; L354-V374 HydrophobicContact CB-CG2 4.19Å; L354-V374 HydrophobicContact CD1-CG1 3.96Å; L371-V374 VanDerWaalsContact O-CG1 3.22Å; L371-V374 WeakPolarHBondContact O-CG1 3.42Å; L371-V374 PolarHBondContact O-N 3.28Å; V374-T376 VanDerWaalsContact C-N 3.32Å; V374-T376 PolarHBondContact O-N 2.93Å; V374-V377 PolarHBondContact O-N 2.95Å; V374-L378 HydrophobicContact CG2-CD1 4.21Å; V374-L378 HydrophobicContact CG2-CG 4.43Å; V374-L378 VanDerWaalsContact O-CG 3.28Å; V374-L378 WeakPolarHBondContact O-CG 3.41Å; V374-L378 PolarHBondContact O-N 3.19Å
375L98.1Very high90.2Very high0 Ų039.7 Ų39.70%023%0.227CC..Hα-helixtrans-62.6-40.3174.4-69.5172.8000111.5L354 L371 P373 V377 L378 V379 L417 L428 L431 L435L354-L375 HydrophobicContact CD1-CD2 4.11Å; L354-L375 HydrophobicContact CD1-CG 4.43Å; L354-L375 HydrophobicContact CD2-CD2 4.18Å; L371-L375 HydrophobicContact CB-CD1 4.49Å; L371-L375 WeakPolarHBondContact O-CB 3.45Å; L371-L375 VanDerWaalsContact O-CG 3.3Å; L371-L375 WeakPolarHBondContact O-CG 3.49Å; L371-L375 PolarHBondContact O-N 3.15Å; P373-L375 PolarHBondContact O-N 3.12Å; L375-V377 PolarHBondContact O-N 3.44Å; L375-L378 PolarHBondContact O-N 2.86Å; L375-V379 VanDerWaalsContact O-CG2 3.29Å; L375-V379 WeakPolarHBondContact O-CG2 3.28Å; L375-V379 PolarHBondContact O-N 3.2Å; L375-L417 HydrophobicContact CD2-CD2 3.79Å; L375-L428 HydrophobicContact CD1-CD2 4.03Å; L375-L431 HydrophobicContact CB-CB 4.05Å; L375-L431 HydrophobicContact CB-CD1 4.21Å; L375-L431 HydrophobicContact CD1-CB 4.25Å; L375-L435 HydrophobicContact CD2-CD2 3.91Å
376T97.8Very high91.4Very high37 Ų3742.2 Ų42.223%0.22721%0.212CC..Hα-helixtrans-60.2-45.4175.9-62.40000111.6T288 S372 P373 V374 V379 K380 L431T288-T376 HydrophobicContact CG2-CG2 4.35Å; S372-T376 WeakPolarHBondContact O-CB 3.35Å; S372-T376 PolarHBondContact O-N 2.94Å; S372-T376 PolarHBondContact O-OG1 2.85Å; P373-T376 WeakPolarHBondContact O-CB 3.28Å; P373-T376 PolarHBondContact O-N 3Å; V374-T376 VanDerWaalsContact C-N 3.32Å; V374-T376 PolarHBondContact O-N 2.93Å; T376-V379 PolarHBondContact O-N 3.42Å; T376-K380 HydrophobicContact CG2-CD 4.07Å; T376-K380 VanDerWaalsContact O-CG 3.29Å; T376-K380 WeakPolarHBondContact O-CG 3.35Å; T376-K380 PolarHBondContact O-N 3.44Å; T376-K380 VanDerWaalsContact O-N 3.08Å; T376-L431 WeakPolarHBondContact OG1-CD2 3.31Å
377V98.4Very high93.2Very high0 Ų040.4 Ų40.40%020%0.199CC..Hα-helixtrans-63-46.1176.8176.80000110.9I284 L287 T288 L350 P373 V374 L375 V379 K380 C381I284-V377 HydrophobicContact CG2-CG2 4.25Å; L287-V377 HydrophobicContact CB-CG1 4.16Å; L287-V377 HydrophobicContact CB-CG2 3.64Å; L287-V377 HydrophobicContact CD1-CG1 4.29Å; T288-V377 HydrophobicContact CG2-CG2 4Å; L350-V377 HydrophobicContact CD1-CG1 3.77Å; L350-V377 HydrophobicContact CD2-CG1 4.48Å; P373-V377 WeakPolarHBondContact O-CG2 3.43Å; P373-V377 PolarHBondContact O-N 2.89Å; V374-V377 PolarHBondContact O-N 2.95Å; L375-V377 PolarHBondContact O-N 3.44Å; V377-V379 PolarHBondContact O-N 3.46Å; V377-K380 PolarHBondContact O-N 3.13Å; V377-K380 VanDerWaalsContact O-N 3.12Å; V377-C381 PolarHBondContact O-N 3.05Å; V377-C381 PolarHBondContact O-SG 3.34Å; V377-C381 VanDerWaalsContact O-SG 3.38Å
378L98.7Very high94.7Very high0 Ų037.3 Ų37.30%018%0.177CC..Hα-helixtrans-60.6-41.8179.1-69.7173000112.5L350 L351 L354 V374 L375 K380 C381 A382 L392 L435L350-L378 HydrophobicContact CB-CD2 4.01Å; L350-L378 HydrophobicContact CD1-CD2 4.26Å; L351-L378 HydrophobicContact CD2-CD1 4.42Å; L351-L378 HydrophobicContact CD2-CD2 4.39Å; L354-L378 HydrophobicContact CD2-CD1 3.73Å; V374-L378 HydrophobicContact CG2-CD1 4.21Å; V374-L378 HydrophobicContact CG2-CG 4.43Å; V374-L378 VanDerWaalsContact O-CG 3.28Å; V374-L378 WeakPolarHBondContact O-CG 3.41Å; V374-L378 PolarHBondContact O-N 3.19Å; L375-L378 PolarHBondContact O-N 2.86Å; L378-K380 VanDerWaalsContact C-N 3.35Å; L378-C381 PolarHBondContact O-N 3.02Å; L378-A382 VanDerWaalsContact O-CB 3.31Å; L378-A382 WeakPolarHBondContact O-CB 3.48Å; L378-A382 PolarHBondContact O-N 3.19Å; L378-L392 HydrophobicContact CD2-CD1 4.09Å; L378-L392 HydrophobicContact CD2-CD2 3.65Å; L378-L435 HydrophobicContact CB-CD1 4.04Å; L378-L435 HydrophobicContact CB-CD2 4.17Å; L378-L435 HydrophobicContact CD1-CD2 4.35Å
379V98.3Very high95.5Very high13 Ų1335.2 Ų35.28%0.07917%0.166CC..Hα-helixtrans-58.9-47.7173.4169.50000110.5L375 T376 V377 A382 R383 E434 L435L375-V379 VanDerWaalsContact O-CG2 3.29Å; L375-V379 WeakPolarHBondContact O-CG2 3.28Å; L375-V379 PolarHBondContact O-N 3.2Å; T376-V379 PolarHBondContact O-N 3.42Å; V377-V379 PolarHBondContact O-N 3.46Å; V379-A382 PolarHBondContact O-N 2.85Å; V379-R383 WeakPolarHBondContact O-CB 3.36Å; V379-R383 WeakPolarHBondContact O-CG 3.44Å; V379-R383 PolarHBondContact O-N 3.09Å; V379-E434 HydrophobicContact CG1-CG 3.72Å; V379-E434 HydrophobicContact CG2-CB 4.25Å; V379-E434 HydrophobicContact CG2-CG 4.27Å; V379-L435 HydrophobicContact CG2-CB 3.65Å; V379-L435 HydrophobicContact CG2-CD1 4.16Å; V379-L435 HydrophobicContact CG2-CG 4.44Å
380K97.7Very high96.1Very high49 Ų4929.8 Ų29.821%0.21314%0.141CC..Hα-helixtrans-64.4-43.6-178.7-69.7170.270.1-174.80111.7L287 T288 I290 L295 T376 V377 L378 R383 S384L287-K380 PolarHBondContact O-NZ 3.33Å; T288-K380 VanDerWaalsContact C-NZ 3.31Å; T288-K380 PolarHBondContact O-NZ 3.38Å; I290-K380 WeakPolarHBondContact O-CE 3.22Å; I290-K380 PolarHBondContact O-NZ 3.39Å; L295-K380 HydrophobicContact CD1-CB 3.5Å; L295-K380 HydrophobicContact CD1-CD 4.47Å; T376-K380 HydrophobicContact CG2-CD 4.07Å; T376-K380 VanDerWaalsContact O-CG 3.29Å; T376-K380 WeakPolarHBondContact O-CG 3.35Å; T376-K380 PolarHBondContact O-N 3.44Å; T376-K380 VanDerWaalsContact O-N 3.08Å; V377-K380 PolarHBondContact O-N 3.13Å; V377-K380 VanDerWaalsContact O-N 3.12Å; L378-K380 VanDerWaalsContact C-N 3.35Å; K380-R383 PolarHBondContact O-N 3.27Å; K380-S384 WeakPolarHBondContact O-CB 3.21Å; K380-S384 PolarHBondContact O-N 2.9Å; K380-S384 PolarHBondContact O-OG 3.42Å; K380-S384 VanDerWaalsContact O-OG 3.12Å
381C98.1Very high96.4Very high0 Ų027.8 Ų27.80%013%0.129CC..Hα-helixtrans-60-45.8173.7-70.70000112L347 V377 L378 R383 S384 D385 M388 L392L347-C381 HydrophobicContact CD2-CB 4.29Å; V377-C381 PolarHBondContact O-N 3.05Å; V377-C381 PolarHBondContact O-SG 3.34Å; V377-C381 VanDerWaalsContact O-SG 3.38Å; L378-C381 PolarHBondContact O-N 3.02Å; C381-R383 VanDerWaalsContact C-N 3.29Å; C381-R383 PolarHBondContact O-N 2.98Å; C381-S384 PolarHBondContact O-N 2.68Å; C381-S384 PolarHBondContact O-OG 3.35Å; C381-D385 PolarHBondContact O-N 2.89Å; C381-M388 HydrophobicContact CB-CB 4.48Å; C381-M388 HydrophobicContact CB-SD 3.79Å; C381-L392 HydrophobicContact CB-CD1 4.26Å
382A97.3Very high96.6Very high0 Ų027.6 Ų27.60%013%0.129CC..Hα-helixtrans-65.9-31.2179.200000112.8L378 V379 R389 L392 L435 V438 L439L378-A382 VanDerWaalsContact O-CB 3.31Å; L378-A382 WeakPolarHBondContact O-CB 3.48Å; L378-A382 PolarHBondContact O-N 3.19Å; V379-A382 PolarHBondContact O-N 2.85Å; A382-R389 HydrophobicContact CB-CB 4.36Å; A382-R389 HydrophobicContact CB-CG 4.27Å; A382-R389 WeakPolarHBondContact O-CB 3.5Å; A382-R389 WeakPolarHBondContact O-CD 3.49Å; A382-R389 PolarHBondContact O-NH1 3.23Å; A382-L392 HydrophobicContact CB-CD1 4.14Å; A382-L435 HydrophobicContact CB-CD1 4.49Å; A382-V438 HydrophobicContact CB-CG1 3.65Å; A382-L439 HydrophobicContact CB-CD2 4.03Å
383R95.2Very high96.6Very high112 Ų11226.8 Ų26.842%0.42312%0.121SC..Hα-helixtrans-76.9-37.5174.8-76.1-174.3165.3-76.9-6.1112.7V379 K380 C381 E434 V438 E442V379-R383 WeakPolarHBondContact O-CB 3.36Å; V379-R383 WeakPolarHBondContact O-CG 3.44Å; V379-R383 PolarHBondContact O-N 3.09Å; K380-R383 PolarHBondContact O-N 3.27Å; C381-R383 VanDerWaalsContact C-N 3.29Å; C381-R383 PolarHBondContact O-N 2.98Å; R383-E434 IonicContact CZ-OE1 3.87Å; R383-E434 IonicContact NE-OE1 3.53Å; R383-E434 PolarHBondContact NE-OE1 2.91Å; R383-E434 IonicContact NH2-OE1 3.93Å; R383-E434 PolarHBondContact NH2-OE1 2.82Å; R383-V438 HydrophobicContact CG-CB 4.46Å; R383-V438 HydrophobicContact CG-CG1 3.8Å; R383-V438 HydrophobicContact CG-CG2 3.76Å; R383-E442 IonicContact CZ-OE1 2.76Å; R383-E442 IonicContact NH1-OE1 2.64Å; R383-E442 IonicContact NH2-OE1 3.5Å; R383-E442 PolarHBondContact NH2-OE1 3.11Å
384S93.2Very high96.5Very high41 Ų4130 Ų3029%0.28713%0.134SC..Hα-helixtrans-77.9-33.6-171.561.10000114.3G292 K380 C381G292-S384 WeakPolarHBondContact O-CB 3.42Å; G292-S384 PolarHBondContact O-OG 2.93Å; K380-S384 WeakPolarHBondContact O-CB 3.21Å; K380-S384 PolarHBondContact O-N 2.9Å; K380-S384 PolarHBondContact O-OG 3.42Å; K380-S384 VanDerWaalsContact O-OG 3.12Å; C381-S384 PolarHBondContact O-N 2.68Å; C381-S384 PolarHBondContact O-OG 3.35Å
385D93.8Very high96.4Very high22 Ų2233 Ų3312%0.11815%0.148CC..  trans-139.8137.8-173.3-174.875.8000113.5T296 R342 C381 V387 M388 R389T296-D385 HydrophobicContact CG2-CB 4.15Å; R342-D385 IonicContact CZ-OD1 3.16Å; R342-D385 IonicContact CZ-OD2 3.21Å; R342-D385 IonicContact NE-OD2 3.12Å; R342-D385 IonicContact NH1-OD1 3.7Å; R342-D385 IonicContact NH2-OD1 3.05Å; R342-D385 PolarHBondContact NH2-OD1 3.11Å; R342-D385 IonicContact NH2-OD2 3.12Å; R342-D385 PolarHBondContact NH2-OD2 3.2Å; C381-D385 PolarHBondContact O-N 2.89Å; D385-V387 PolarHBondContact O-N 3.45Å; D385-V387 WeakPolarHBondContact OD2-CA 3.36Å; D385-V387 VanDerWaalsContact OD2-CB 3.27Å; D385-V387 WeakPolarHBondContact OD2-CB 3.48Å; D385-V387 PolarHBondContact OD2-N 3.23Å; D385-M388 HydrophobicContact CB-CB 4.09Å; D385-M388 HydrophobicContact CB-CG 3.74Å; D385-M388 HydrophobicContact CB-SD 3.92Å; D385-M388 PolarHBondContact OD2-N 2.82Å; D385-R389 WeakPolarHBondContact O-CB 3.37Å; D385-R389 PolarHBondContact O-N 3.31Å
386R94Very high96.4Very high168 Ų16833 Ų3363%0.63415%0.148SC*.Hα-helixtrans-67.1-36.1-177.871.9179.5-174.9136.47.4113.6H390R386-H390 WeakPolarHBondContact O-CB 3.31Å; R386-H390 PolarHBondContact O-N 2.66Å
387V93.9Very high96.3Very high4 Ų431.3 Ų31.32%0.02414%0.137CC..Hα-helixtrans-74.9-42.7-177.5177.60000108.9F339 E340 R342 D385 R389 H390 Y391F339-V387 HydrophobicContact CD1-CG1 3.76Å; F339-V387 HydrophobicContact CE1-CG1 4.26Å; E340-V387 HydrophobicContact CB-CG1 3.92Å; E340-V387 HydrophobicContact CB-CG2 4.29Å; E340-V387 HydrophobicContact CG-CG1 4.48Å; E340-V387 WeakPolarHBondContact OE2-CG2 3.41Å; R342-V387 HydrophobicContact CB-CG1 4.42Å; R342-V387 HydrophobicContact CG-CG1 4.38Å; D385-V387 PolarHBondContact O-N 3.45Å; D385-V387 WeakPolarHBondContact OD2-CA 3.36Å; D385-V387 VanDerWaalsContact OD2-CB 3.27Å; D385-V387 WeakPolarHBondContact OD2-CB 3.48Å; D385-V387 PolarHBondContact OD2-N 3.23Å; V387-R389 VanDerWaalsContact C-N 3.33Å; V387-R389 PolarHBondContact O-N 2.91Å; V387-H390 PolarHBondContact O-N 3.38Å; V387-Y391 WeakPolarHBondContact O-CB 3.4Å; V387-Y391 PolarHBondContact O-N 2.93Å
388M96.9Very high96Very high0 Ų033.5 Ų33.50%015%0.152CC..Hα-helixtrans-56.6-48.6171.8-62.3-171.9168.600111.2L295 L298 T299 L347 C381 D385 H390 Y391 L392L295-M388 VanDerWaalsContact O-CE 3.29Å; L295-M388 WeakPolarHBondContact O-CE 3.49Å; L298-M388 HydrophobicContact CB-CE 4.25Å; T299-M388 HydrophobicContact CG2-CE 3.66Å; T299-M388 HydrophobicContact CG2-CG 4.17Å; T299-M388 WeakPolarHBondContact OG1-CE 3.16Å; L347-M388 HydrophobicContact CD1-CB 3.99Å; L347-M388 HydrophobicContact CD1-CG 3.97Å; C381-M388 HydrophobicContact CB-CB 4.48Å; C381-M388 HydrophobicContact CB-SD 3.79Å; D385-M388 HydrophobicContact CB-CB 4.09Å; D385-M388 HydrophobicContact CB-CG 3.74Å; D385-M388 HydrophobicContact CB-SD 3.92Å; D385-M388 PolarHBondContact OD2-N 2.82Å; M388-H390 VanDerWaalsContact C-N 3.34Å; M388-H390 PolarHBondContact O-N 3.48Å; M388-Y391 PolarHBondContact O-N 3.37Å; M388-L392 WeakPolarHBondContact O-CB 3.31Å; M388-L392 WeakPolarHBondContact O-CG 3.47Å; M388-L392 PolarHBondContact O-N 2.92Å
389R96.8Very high95.6Very high33 Ų3336.7 Ų36.713%0.12517%0.172CC..Hα-helixtrans-60-43176.9-171.8173.853-98.31.8112.6A382 D385 V387 R393 V438 L439A382-R389 HydrophobicContact CB-CB 4.36Å; A382-R389 HydrophobicContact CB-CG 4.27Å; A382-R389 WeakPolarHBondContact O-CB 3.5Å; A382-R389 WeakPolarHBondContact O-CD 3.49Å; A382-R389 PolarHBondContact O-NH1 3.23Å; D385-R389 WeakPolarHBondContact O-CB 3.37Å; D385-R389 PolarHBondContact O-N 3.31Å; V387-R389 VanDerWaalsContact C-N 3.33Å; V387-R389 PolarHBondContact O-N 2.91Å; R389-R393 WeakPolarHBondContact O-CB 3.44Å; R389-R393 PolarHBondContact O-N 3.32Å; R389-V438 WeakPolarHBondContact CD-O 3.29Å; R389-L439 HydrophobicContact CG-CD2 4.19Å
390H95.1Very high95.1Very high34 Ų3436.4 Ų36.416%0.15717%0.17CC..Hα-helixtrans-66.1-44.1-179.7-17363.4000111.1F339 E340 R386 V387 M388 R393 Q394 E481F339-H390 HydrophobicContact CE1-CB 4.13Å; F339-H390 AromaticContact CE1-CD2 3.45Å; F339-H390 VanDerWaalsContact CE1-CD2 3.45Å; F339-H390 WeakPolarHBondContact CE1-CD2 3.48Å; F339-H390 HydrophobicContact CZ-CB 4.46Å; F339-H390 AromaticContact CZ-CD2 3.12Å; F339-H390 WeakPolarHBondContact CZ-CD2 3.39Å; F339-H390 AromaticContact CZ-NE2 3.73Å; E340-H390 IonicContact OE1-CD2 3.79Å; E340-H390 PolarHBondContact OE1-CD2 3.48Å; E340-H390 IonicContact OE1-CG 2.87Å; E340-H390 IonicContact OE1-NE2 3.36Å; R386-H390 WeakPolarHBondContact O-CB 3.31Å; R386-H390 PolarHBondContact O-N 2.66Å; V387-H390 PolarHBondContact O-N 3.38Å; M388-H390 VanDerWaalsContact C-N 3.34Å; M388-H390 PolarHBondContact O-N 3.48Å; H390-R393 WeakPolarHBondContact O-CB 3.35Å; H390-R393 PolarHBondContact O-N 3.33Å; H390-Q394 PolarHBondContact NE2-NE2 2.86Å; H390-Q394 VanDerWaalsContact NE2-NE2 3.15Å; H390-Q394 PolarHBondContact O-N 2.92Å; H390-E481 IonicContact CE1-OE1 3.46Å; H390-E481 PolarHBondContact CE1-OE1 3Å; H390-E481 IonicContact CE1-OE2 3.81Å; H390-E481 PolarHBondContact CE1-OE2 2.89Å; H390-E481 IonicContact ND1-OE1 3.81Å; H390-E481 PolarHBondContact ND1-OE1 3.1Å; H390-E481 VanDerWaalsContact ND1-OE1 3.16Å; H390-E481 IonicContact ND1-OE2 3.15Å; H390-E481 PolarHBondContact ND1-OE2 3.39Å
391Y96.6Very high94.6Very high14 Ų1442.6 Ų42.66%0.05519%0.192CC..Hα-helixtrans-60.4-53.1174.4178.6-107000112.1F339 V344 L347 D348 L351 V387 M388 R393 Q394 E395F339-Y391 HydrophobicContact CB-CD2 4.22Å; F339-Y391 HydrophobicContact CD1-CD2 4.15Å; F339-Y391 HydrophobicContact CD1-CG 4.32Å; F339-Y391 HydrophobicContact CD2-CD2 4.06Å; F339-Y391 HydrophobicContact CE1-CD2 4.48Å; F339-Y391 HydrophobicContact CE2-CD2 4.42Å; F339-Y391 AromaticContact CG-CD2 3.88Å; F339-Y391 HydrophobicContact CG-CD2 3.88Å; F339-Y391 HydrophobicContact CG-CG 4.47Å; V344-Y391 HydrophobicContact CB-CD1 4.05Å; V344-Y391 HydrophobicContact CB-CD2 4.21Å; V344-Y391 HydrophobicContact CB-CE1 4.06Å; V344-Y391 HydrophobicContact CB-CE2 4.23Å; V344-Y391 HydrophobicContact CB-CG 4.12Å; V344-Y391 HydrophobicContact CG1-CD1 4.36Å; V344-Y391 HydrophobicContact CG1-CD2 4.37Å; V344-Y391 HydrophobicContact CG1-CG 4.1Å; V344-Y391 HydrophobicContact CG2-CD1 4.44Å; V344-Y391 HydrophobicContact CG2-CD2 3.8Å; V344-Y391 HydrophobicContact CG2-CE1 4.22Å; V344-Y391 HydrophobicContact CG2-CE2 3.57Å; V344-Y391 HydrophobicContact CG2-CG 4.24Å; L347-Y391 HydrophobicContact CB-CD1 3.81Å; L347-Y391 HydrophobicContact CB-CE1 3.68Å; L347-Y391 HydrophobicContact CD1-CD1 3.67Å; L347-Y391 HydrophobicContact CD1-CE1 4.39Å; L347-Y391 HydrophobicContact CD1-CG 4.47Å; L347-Y391 HydrophobicContact CG-CD1 4.42Å; D348-Y391 WeakPolarHBondContact CB-OH 3.49Å; L351-Y391 HydrophobicContact CD1-CE1 3.99Å; V387-Y391 WeakPolarHBondContact O-CB 3.4Å; V387-Y391 PolarHBondContact O-N 2.93Å; M388-Y391 PolarHBondContact O-N 3.37Å; Y391-R393 PolarHBondContact O-N 2.95Å; Y391-Q394 PolarHBondContact O-N 3.47Å; Y391-E395 HydrophobicContact CE1-CG 4.16Å; Y391-E395 HydrophobicContact CE2-CG 4.09Å; Y391-E395 PolarHBondContact O-N 3.12Å; Y391-E395 VanDerWaalsContact O-N 3.08Å
392L98.1Very high93.9Very high0 Ų047.1 Ų47.10%022%0.216CC..Hα-helixtrans-60.2-34.1178.5-68.1177.3000112L347 L351 L378 C381 A382 M388 E395 I396 L439L347-L392 HydrophobicContact CB-CD2 4.37Å; L347-L392 HydrophobicContact CD1-CG 4.48Å; L351-L392 HydrophobicContact CD1-CD2 3.99Å; L351-L392 HydrophobicContact CD2-CD2 4Å; L351-L392 HydrophobicContact CG-CD2 4.05Å; L378-L392 HydrophobicContact CD2-CD1 4.09Å; L378-L392 HydrophobicContact CD2-CD2 3.65Å; C381-L392 HydrophobicContact CB-CD1 4.26Å; A382-L392 HydrophobicContact CB-CD1 4.14Å; M388-L392 WeakPolarHBondContact O-CB 3.31Å; M388-L392 WeakPolarHBondContact O-CG 3.47Å; M388-L392 PolarHBondContact O-N 2.92Å; L392-E395 PolarHBondContact O-N 3.28Å; L392-I396 HydrophobicContact CB-CD1 4.41Å; L392-I396 VanDerWaalsContact O-CB 3.25Å; L392-I396 WeakPolarHBondContact O-CB 3.22Å; L392-I396 VanDerWaalsContact O-CG1 3.31Å; L392-I396 WeakPolarHBondContact O-CG1 3.5Å; L392-I396 PolarHBondContact O-N 3.32Å; L392-L439 HydrophobicContact CB-CD2 3.71Å
393R96.5Very high93.3Very high15 Ų1547.3 Ų47.36%0.05722%0.218CC..Hα-helixtrans-65.6-44.1174.4176-175.6172.671.713111.1R389 H390 Y391 E395 L397 L439 Y450R389-R393 WeakPolarHBondContact O-CB 3.44Å; R389-R393 PolarHBondContact O-N 3.32Å; H390-R393 WeakPolarHBondContact O-CB 3.35Å; H390-R393 PolarHBondContact O-N 3.33Å; Y391-R393 PolarHBondContact O-N 2.95Å; R393-E395 VanDerWaalsContact C-N 3.29Å; R393-E395 PolarHBondContact O-N 2.91Å; R393-L397 HydrophobicContact CG-CB 4.41Å; R393-L397 CarbonylContact O-C 3.07Å; R393-L397 VanDerWaalsContact O-CA 3.24Å; R393-L397 WeakPolarHBondContact O-CA 3.39Å; R393-L397 PolarHBondContact O-N 3.12Å; R393-L439 HydrophobicContact CB-CD2 4.25Å; R393-L439 PolarHBondContact NH1-O 3.41Å; R393-Y450 PolarHBondContact NH2-OH 3Å
394Q94.6Very high92.9Very high88 Ų8845.1 Ų45.141%0.41122%0.219SC..Hα-helixtrans-61.6-39.4177.5-73-172.9-0.600111.9F339 H390 Y391F339-Q394 HydrophobicContact CZ-CG 4.49Å; H390-Q394 PolarHBondContact NE2-NE2 2.86Å; H390-Q394 VanDerWaalsContact NE2-NE2 3.15Å; H390-Q394 PolarHBondContact O-N 2.92Å; Y391-Q394 PolarHBondContact O-N 3.47Å
395E96.2Very high92.8Very high62 Ų6248.2 Ų48.229%0.2923%0.229SC..Hα-helixtrans-76.4-38.6-178.9-72.3-63.5125.600114L351 R355 Y391 L392 R393L351-E395 HydrophobicContact CD1-CB 3.53Å; L351-E395 HydrophobicContact CD1-CG 3.59Å; R355-E395 IonicContact CZ-OE2 2.7Å; R355-E395 IonicContact NH2-OE2 3.45Å; R355-E395 PolarHBondContact NH2-OE2 3.25Å; Y391-E395 HydrophobicContact CE1-CG 4.16Å; Y391-E395 HydrophobicContact CE2-CG 4.09Å; Y391-E395 PolarHBondContact O-N 3.12Å; Y391-E395 VanDerWaalsContact O-N 3.08Å; L392-E395 PolarHBondContact O-N 3.28Å; R393-E395 VanDerWaalsContact C-N 3.29Å; R393-E395 PolarHBondContact O-N 2.91Å
396I97.5Very high92.8Very high0 Ų052.6 Ų52.60%024%0.244CC..Hα-helixtrans-93.6-39.8-174.8-62.8168000111.6L351 L392 P398 L413 R414 L417 L435 L436 L439L351-I396 HydrophobicContact CD2-CD1 3.91Å; L351-I396 HydrophobicContact CD2-CG1 3.89Å; L392-I396 HydrophobicContact CB-CD1 4.41Å; L392-I396 VanDerWaalsContact O-CB 3.25Å; L392-I396 WeakPolarHBondContact O-CB 3.22Å; L392-I396 VanDerWaalsContact O-CG1 3.31Å; L392-I396 WeakPolarHBondContact O-CG1 3.5Å; L392-I396 PolarHBondContact O-N 3.32Å; I396-P398 WeakPolarHBondContact O-CD 3.3Å; I396-L413 HydrophobicContact CG1-CB 4.4Å; I396-L413 HydrophobicContact CG1-CD1 3.95Å; I396-L413 HydrophobicContact CG2-CB 4.31Å; I396-R414 WeakPolarHBondContact O-CB 3.4Å; I396-R414 PolarHBondContact O-N 3.35Å; I396-L417 HydrophobicContact CG2-CD1 3.49Å; I396-L417 VanDerWaalsContact CG2-CD1 3.49Å; I396-L435 HydrophobicContact CD1-CD2 4.14Å; I396-L436 HydrophobicContact CG2-CD2 4.46Å; I396-L439 HydrophobicContact CB-CD1 3.98Å; I396-L439 HydrophobicContact CD1-CD1 3.72Å; I396-L439 HydrophobicContact CG1-CD1 4.44Å; I396-L439 HydrophobicContact CG2-CD1 4.02Å
397L95.3Very high92.8Very high3 Ų344.7 Ų44.72%0.01621%0.214CC..SBendtrans-123.459.4-176-62.2-178.3000110.7R393 R414 L436 L439 Y450R393-L397 HydrophobicContact CG-CB 4.41Å; R393-L397 CarbonylContact O-C 3.07Å; R393-L397 VanDerWaalsContact O-CA 3.24Å; R393-L397 WeakPolarHBondContact O-CA 3.39Å; R393-L397 PolarHBondContact O-N 3.12Å; L397-R414 HydrophobicContact CD2-CB 4.21Å; L397-R414 HydrophobicContact CD2-CG 3.74Å; L397-L436 HydrophobicContact CD1-CD2 4.24Å; L397-L436 HydrophobicContact CD2-CD2 3.76Å; L397-L436 HydrophobicContact CG-CD2 4.27Å; L397-L439 HydrophobicContact CD1-CB 3.94Å; L397-Y450 HydrophobicContact CB-CD1 4.04Å; L397-Y450 HydrophobicContact CB-CE1 4.1Å; L397-Y450 HydrophobicContact CB-CG 4.47Å; L397-Y450 HydrophobicContact CD1-CG 4.39Å; L397-Y450 HydrophobicContact CD2-CD1 4.03Å; L397-Y450 HydrophobicContact CD2-CG 4.15Å
398P92.4Very high92.8Very high46 Ų4645.7 Ų45.730%0.29922%0.219SC..PPolyproline II helixtrans-59.515417727.1-35.2000110.4I396 L400 Y450I396-P398 WeakPolarHBondContact O-CD 3.3Å; P398-L400 PolarHBondContact O-N 3.04Å; P398-Y450 WeakPolarHBondContact O-CE1 3.19Å
399P90.8Very high92.6Very high66 Ų6649.3 Ų49.343%0.42924%0.241SC..PPolyproline II helixtrans-50.9127.1177.4-25.533.8000111.4R401 T485P399-R401 PolarHBondContact O-N 3.37Å; P399-T485 HydrophobicContact CB-CG2 3.43Å; P399-T485 VanDerWaalsContact CB-CG2 3.43Å
400L88.1Confident92.3Very high7 Ų748.9 Ų48.94%0.03725%0.247CC..PPolyproline II helixtrans-64.3129.4-175.7-62.1177.1000110P398 V403 K449 Y450 T485 Y488P398-L400 PolarHBondContact O-N 3.04Å; L400-V403 HydrophobicContact CB-CG1 4.18Å; L400-V403 HydrophobicContact CD1-CG1 4.24Å; L400-K449 HydrophobicContact CD1-CD 4.49Å; L400-K449 HydrophobicContact CD1-CG 3.75Å; L400-K449 VanDerWaalsContact CD1-O 3.31Å; L400-K449 WeakPolarHBondContact CD1-O 3.31Å; L400-Y450 HydrophobicContact CD1-CD1 4.23Å; L400-Y450 HydrophobicContact CD1-CE1 4.36Å; L400-Y450 HydrophobicContact CD2-CD1 3.78Å; L400-Y450 HydrophobicContact CD2-CE1 3.95Å; L400-Y450 HydrophobicContact CG-CD1 3.92Å; L400-Y450 HydrophobicContact CG-CE1 3.75Å; L400-T485 WeakPolarHBondContact O-CG2 3.49Å; L400-T485 PolarHBondContact O-OG1 3.24Å; L400-Y488 HydrophobicContact CB-CD2 3.96Å; L400-Y488 HydrophobicContact CD1-CD2 4.07Å; L400-Y488 HydrophobicContact CD1-CE2 3.85Å
401R85.4Confident92.2Very high180 Ų18053.7 Ų53.768%0.67927%0.269SS*.  trans-115.5-45.7174.1-62.4-178.5-173.7175.80.8111.5P399 T485P399-R401 PolarHBondContact O-N 3.37Å; R401-T485 HydrophobicContact CG-CG2 4.26Å
402D83.3Confident92.1Very high95 Ų9558.5 Ų58.551%0.50829%0.292SS..  trans-106.8120.1175.5-176.89.7000110.3S404D402-S404 WeakPolarHBondContact OD1-CB 3.41Å; D402-S404 PolarHBondContact OD1-N 3.32Å; D402-S404 PolarHBondContact OD1-OG 3.22Å; D402-S404 PolarHBondContact OD2-OG 3.32Å
403V86.5Confident92Very high4 Ų458.7 Ų58.72%0.02429%0.294CS..  trans-120.923.6176.2-65.10000111.6L400 Y488 Q491 I495 C501 V502L400-V403 HydrophobicContact CB-CG1 4.18Å; L400-V403 HydrophobicContact CD1-CG1 4.24Å; V403-Y488 HydrophobicContact CG1-CD2 3.99Å; V403-Y488 HydrophobicContact CG1-CE2 4.27Å; V403-Q491 HydrophobicContact CG2-CB 3.94Å; V403-I495 HydrophobicContact CB-CD1 4.26Å; V403-I495 HydrophobicContact CG1-CD1 4.24Å; V403-I495 HydrophobicContact CG2-CD1 3.87Å; V403-I495 HydrophobicContact CG2-CG1 4.03Å; V403-C501 CarbonylContact O-C 3.39Å; V403-C501 VanDerWaalsContact O-CA 3.25Å; V403-C501 WeakPolarHBondContact O-CA 3.24Å; V403-C501 VanDerWaalsContact O-CB 3.31Å; V403-C501 WeakPolarHBondContact O-CB 3.45Å; V403-V502 HydrophobicContact CG2-CG2 3.93Å; V403-V502 PolarHBondContact O-N 2.89Å
404S86.7Confident92Very high65 Ų6559.6 Ų59.646%0.45530%0.297SS..SBendtrans-74-29.5176.764.60000113.4D402D402-S404 WeakPolarHBondContact OD1-CB 3.41Å; D402-S404 PolarHBondContact OD1-N 3.32Å; D402-S404 PolarHBondContact OD1-OG 3.22Å; D402-S404 PolarHBondContact OD2-OG 3.32Å
405Q91Very high92Very high107 Ų10755.8 Ų55.850%0.528%0.28SS..SBendtrans-107.6153.2-179.6-60.6-174.113.800111.7C501Q405-C501 VanDerWaalsContact O-CB 3.28Å; Q405-C501 WeakPolarHBondContact O-CB 3.47Å
406R92.5Very high92Very high113 Ų11353.4 Ų53.443%0.42627%0.268SS..  trans-60.3144.7176.2-68.9177.562.1153.8-2.8110.8E408 V409R406-E408 IonicContact CZ-OE1 3.18Å; R406-E408 IonicContact NE-OE1 3.61Å; R406-E408 PolarHBondContact NE-OE1 3.28Å; R406-E408 IonicContact NE-OE2 2.7Å; R406-E408 IonicContact NH2-OE1 2.76Å; R406-E408 PolarHBondContact NH2-OE1 2.86Å; R406-E408 PolarHBondContact O-N 3.28Å; R406-E408 VanDerWaalsContact O-N 3.09Å; R406-V409 HydrophobicContact CB-CG2 4.17Å; R406-V409 PolarHBondContact O-N 3.18Å
407P94.4Very high91.9Very high2 Ų253.4 Ų53.41%0.01327%0.268CS..THydrogen-bonded Turntrans-55.2-31.4-175-29.937.7000115.3V409 N415 C418 T451 L499P407-V409 VanDerWaalsContact C-N 3.33Å; P407-N415 VanDerWaalsContact O-CA 3.23Å; P407-N415 WeakPolarHBondContact O-CA 3.42Å; P407-N415 PolarHBondContact O-ND2 2.82Å; P407-C418 HydrophobicContact CB-CB 4.26Å; P407-T451 WeakPolarHBondContact CG-O 3.49Å; P407-L499 WeakPolarHBondContact CD-O 3.48Å
408E93.7Very high92Very high26 Ų2653.3 Ų53.312%0.12127%0.268CS..THydrogen-bonded Turntrans-78.5-12.617866.9-87.1-158.900114.2R406 C418 R419 N455R406-E408 IonicContact CZ-OE1 3.18Å; R406-E408 IonicContact NE-OE1 3.61Å; R406-E408 PolarHBondContact NE-OE1 3.28Å; R406-E408 IonicContact NE-OE2 2.7Å; R406-E408 IonicContact NH2-OE1 2.76Å; R406-E408 PolarHBondContact NH2-OE1 2.86Å; R406-E408 PolarHBondContact O-N 3.28Å; R406-E408 VanDerWaalsContact O-N 3.09Å; E408-C418 HydrophobicContact CB-CB 4.04Å; E408-R419 HydrophobicContact CB-CG 3.8Å; E408-R419 WeakPolarHBondContact O-CG 3.42Å; E408-R419 PolarHBondContact O-NE 3.04Å; E408-R419 PolarHBondContact O-NH2 3.49Å; E408-N455 PolarHBondContact OE2-ND2 3.46Å
409V92.3Very high92.1Very high75 Ų7553.7 Ų53.746%0.45526%0.263SS..SBendtrans-94.5124.2178.7-175.30000109.2R406 P407 N415R406-V409 HydrophobicContact CB-CG2 4.17Å; R406-V409 PolarHBondContact O-N 3.18Å; P407-V409 VanDerWaalsContact C-N 3.33Å; V409-N415 PolarHBondContact O-ND2 2.87Å; V409-N415 VanDerWaalsContact O-ND2 3.1Å
410G91.7Very high92.2Very high25 Ų2551 Ų5126%0.25825%0.245SC..SBendtrans143.5-167.7179.600000112.6N415 R419G410-N415 WeakPolarHBondContact CA-OD1 3.27Å; G410-R419 PolarHBondContact O-NH2 3.46Å
411Q92.4Very high92.5Very high134 Ų13451.4 Ų51.463%0.62625%0.247SC*.SBendtrans-127.54.3-179.2-71.4-63.5-23.600113N415 H416Q411-N415 PolarHBondContact N-OD1 3.17Å; Q411-H416 PolarHBondContact O-CE1 2.63Å; Q411-H416 PolarHBondContact O-ND1 3.44Å; Q411-H416 PolarHBondContact OE1-CE1 2.95Å; Q411-H416 VanDerWaalsContact OE1-CE1 3.32Å; Q411-H416 PolarHBondContact OE1-NE2 3.46Å
412E94.4Very high92.7Very high115 Ų11547 Ų4754%0.53724%0.24SC..SBendtrans-76161175-60.3-58.3148.500111.3R414 N415 H416E412-R414 PolarHBondContact O-N 2.87Å; E412-N415 VanDerWaalsContact CB-OD1 3.3Å; E412-N415 WeakPolarHBondContact CB-OD1 3.05Å; E412-N415 PolarHBondContact N-OD1 3.15Å; E412-N415 WeakPolarHBondContact O-CB 3.31Å; E412-N415 PolarHBondContact O-N 3.28Å; E412-H416 PolarHBondContact O-N 3.21Å; E412-H416 PolarHBondContact O-ND1 3.16Å
413L97.1Very high92.8Very high5 Ų545.1 Ų45.13%0.02623%0.23CC..Hα-helixtrans-55.4-40.9175.4-74.8176.4000111.7L351 L354 R355 L358 I396 N415 H416 L417L351-L413 HydrophobicContact CD2-CD1 3.86Å; L354-L413 HydrophobicContact CD2-CD2 3.88Å; L354-L413 HydrophobicContact CG-CD2 4Å; R355-L413 HydrophobicContact CG-CD1 4.23Å; R355-L413 HydrophobicContact CG-CD2 3.63Å; R355-L413 HydrophobicContact CG-CG 3.98Å; L358-L413 HydrophobicContact CD1-CD2 3.8Å; I396-L413 HydrophobicContact CG1-CB 4.4Å; I396-L413 HydrophobicContact CG1-CD1 3.95Å; I396-L413 HydrophobicContact CG2-CB 4.31Å; L413-N415 VanDerWaalsContact C-N 3.25Å; L413-N415 PolarHBondContact O-N 3.27Å; L413-H416 PolarHBondContact O-N 3.02Å; L413-L417 VanDerWaalsContact O-CG 3.3Å; L413-L417 WeakPolarHBondContact O-CG 3.37Å; L413-L417 PolarHBondContact O-N 3.36Å
414R96Very high92.7Very high33 Ų3350.7 Ų50.713%0.12527%0.266CS..Hα-helixtrans-50.1-48.2172.1-173.1-177.195.2-125.45.7111.6I396 L397 E412 L417 C418I396-R414 WeakPolarHBondContact O-CB 3.4Å; I396-R414 PolarHBondContact O-N 3.35Å; L397-R414 HydrophobicContact CD2-CB 4.21Å; L397-R414 HydrophobicContact CD2-CG 3.74Å; E412-R414 PolarHBondContact O-N 2.87Å; R414-L417 PolarHBondContact O-N 2.94Å; R414-C418 WeakPolarHBondContact O-CB 3.27Å; R414-C418 PolarHBondContact O-N 2.88Å; R414-C418 PolarHBondContact O-SG 3.22Å
415N95.3Very high92.7Very high9 Ų948.4 Ų48.45%0.04825%0.251CS..Hα-helixtrans-67.9-44.7-172.5-51.5124.7000111.3P407 V409 G410 Q411 E412 L413 C418 R419P407-N415 VanDerWaalsContact O-CA 3.23Å; P407-N415 WeakPolarHBondContact O-CA 3.42Å; P407-N415 PolarHBondContact O-ND2 2.82Å; V409-N415 PolarHBondContact O-ND2 2.87Å; V409-N415 VanDerWaalsContact O-ND2 3.1Å; G410-N415 WeakPolarHBondContact CA-OD1 3.27Å; Q411-N415 PolarHBondContact N-OD1 3.17Å; E412-N415 VanDerWaalsContact CB-OD1 3.3Å; E412-N415 WeakPolarHBondContact CB-OD1 3.05Å; E412-N415 PolarHBondContact N-OD1 3.15Å; E412-N415 WeakPolarHBondContact O-CB 3.31Å; E412-N415 PolarHBondContact O-N 3.28Å; L413-N415 VanDerWaalsContact C-N 3.25Å; L413-N415 PolarHBondContact O-N 3.27Å; N415-C418 PolarHBondContact O-N 3.38Å; N415-R419 VanDerWaalsContact CB-NH2 3.31Å; N415-R419 PolarHBondContact O-N 2.92Å
416H95Very high92.7Very high12 Ų1249.5 Ų49.56%0.05626%0.258CS..Hα-helixtrans-58.4-48.5175-68.887000111.8L358 E362 Q411 E412 L413 C418 R419 F420L358-H416 HydrophobicContact CD1-CB 3.78Å; L358-H416 HydrophobicContact CD2-CB 4.16Å; E362-H416 IonicContact OE1-CD2 3.44Å; E362-H416 IonicContact OE1-NE2 2.63Å; E362-H416 PolarHBondContact OE1-NE2 3.45Å; Q411-H416 PolarHBondContact O-CE1 2.63Å; Q411-H416 PolarHBondContact O-ND1 3.44Å; Q411-H416 PolarHBondContact OE1-CE1 2.95Å; Q411-H416 VanDerWaalsContact OE1-CE1 3.32Å; Q411-H416 PolarHBondContact OE1-NE2 3.46Å; E412-H416 PolarHBondContact O-N 3.21Å; E412-H416 PolarHBondContact O-ND1 3.16Å; L413-H416 PolarHBondContact O-N 3.02Å; H416-C418 VanDerWaalsContact C-N 3.32Å; H416-C418 PolarHBondContact O-N 3.34Å; H416-R419 PolarHBondContact CD2-NH1 3.04Å; H416-R419 PolarHBondContact NE2-NH1 2.94Å; H416-R419 WeakPolarHBondContact O-CB 3.32Å; H416-R419 PolarHBondContact O-N 3.46Å; H416-F420 PolarHBondContact O-N 3.01Å
417L96.6Very high92.6Very high0 Ų049.6 Ų49.60%027%0.266CS..Hα-helixtrans-65.3-35.1178.7-64.2176.3000112.2L375 I396 L413 R414 F420 L421 L435 L436L375-L417 HydrophobicContact CD2-CD2 3.79Å; I396-L417 HydrophobicContact CG2-CD1 3.49Å; I396-L417 VanDerWaalsContact CG2-CD1 3.49Å; L413-L417 VanDerWaalsContact O-CG 3.3Å; L413-L417 WeakPolarHBondContact O-CG 3.37Å; L413-L417 PolarHBondContact O-N 3.36Å; R414-L417 PolarHBondContact O-N 2.94Å; L417-F420 HydrophobicContact CD2-CD2 4.3Å; L417-F420 WeakPolarHBondContact O-CB 3.49Å; L417-F420 PolarHBondContact O-N 3.15Å; L417-L421 PolarHBondContact O-N 2.94Å; L417-L435 HydrophobicContact CD1-CD2 4.16Å; L417-L436 HydrophobicContact CB-CD1 3.94Å; L417-L436 HydrophobicContact CB-CD2 4.2Å; L417-L436 HydrophobicContact CB-CG 4.23Å; L417-L436 HydrophobicContact CD1-CD2 3.97Å; L417-L436 HydrophobicContact CD1-CG 4.31Å
418C96.1Very high92.5Very high0 Ų049.6 Ų49.60%027%0.265CS..Hα-helixtrans-65.3-38.9174.2-70.40000112.1P407 E408 R414 N415 H416 F420 L421P407-C418 HydrophobicContact CB-CB 4.26Å; E408-C418 HydrophobicContact CB-CB 4.04Å; R414-C418 WeakPolarHBondContact O-CB 3.27Å; R414-C418 PolarHBondContact O-N 2.88Å; R414-C418 PolarHBondContact O-SG 3.22Å; N415-C418 PolarHBondContact O-N 3.38Å; H416-C418 VanDerWaalsContact C-N 3.32Å; H416-C418 PolarHBondContact O-N 3.34Å; C418-F420 VanDerWaalsContact C-N 3.29Å; C418-F420 PolarHBondContact O-N 3.39Å; C418-L421 WeakPolarHBondContact O-CB 3.35Å; C418-L421 PolarHBondContact O-N 3.25Å
419R94Very high92.5Very high54 Ų5452 Ų5220%0.20427%0.273CS..Hα-helixtrans-58.1-44.5172.1-68.9175.9-148.8118.131111E362 E408 G410 N415 H416 L421 T422 L423E362-R419 IonicContact OE1-NH1 3.16Å; E362-R419 PolarHBondContact OE1-NH1 3.44Å; E408-R419 HydrophobicContact CB-CG 3.8Å; E408-R419 WeakPolarHBondContact O-CG 3.42Å; E408-R419 PolarHBondContact O-NE 3.04Å; E408-R419 PolarHBondContact O-NH2 3.49Å; G410-R419 PolarHBondContact O-NH2 3.46Å; N415-R419 VanDerWaalsContact CB-NH2 3.31Å; N415-R419 PolarHBondContact O-N 2.92Å; H416-R419 PolarHBondContact CD2-NH1 3.04Å; H416-R419 PolarHBondContact NE2-NH1 2.94Å; H416-R419 WeakPolarHBondContact O-CB 3.32Å; H416-R419 PolarHBondContact O-N 3.46Å; R419-L421 PolarHBondContact O-N 2.87Å; R419-T422 PolarHBondContact O-N 2.76Å; R419-T422 PolarHBondContact O-OG1 3.18Å; R419-L423 PolarHBondContact O-N 3.25Å
420F93.9Very high92.6Very high9 Ų951 Ų514%0.03927%0.265CS..Hα-helixtrans-59.5-27.9-178.9-68.8-7.2000113.3L358 L371 H416 L417 C418 T422 L423 L428 R429 S432L358-F420 HydrophobicContact CD2-CE1 4.4Å; L358-F420 HydrophobicContact CD2-CE2 3.61Å; L358-F420 HydrophobicContact CD2-CZ 3.35Å; L371-F420 HydrophobicContact CD1-CE2 4.11Å; L371-F420 HydrophobicContact CD1-CZ 3.8Å; H416-F420 PolarHBondContact O-N 3.01Å; L417-F420 HydrophobicContact CD2-CD2 4.3Å; L417-F420 WeakPolarHBondContact O-CB 3.49Å; L417-F420 PolarHBondContact O-N 3.15Å; C418-F420 VanDerWaalsContact C-N 3.29Å; C418-F420 PolarHBondContact O-N 3.39Å; F420-T422 PolarHBondContact O-N 3.22Å; F420-L423 HydrophobicContact CD1-CD1 3.34Å; F420-L423 HydrophobicContact CD1-CG 4.26Å; F420-L423 HydrophobicContact CE1-CD1 3.77Å; F420-L423 HydrophobicContact CG-CD1 4.32Å; F420-L423 PolarHBondContact O-N 3.2Å; F420-L428 HydrophobicContact CD2-CB 4.42Å; F420-L428 HydrophobicContact CE2-CD1 4.3Å; F420-L428 HydrophobicContact CZ-CD1 4.22Å; F420-R429 WeakPolarHBondContact O-CA 3.46Å; F420-R429 WeakPolarHBondContact O-CB 3.27Å; F420-R429 WeakPolarHBondContact O-CG 3.43Å; F420-S432 WeakPolarHBondContact CB-OG 3.25Å; F420-S432 VanDerWaalsContact CD2-OG 3.31Å; F420-S432 WeakPolarHBondContact CD2-OG 3.48Å
421L95Very high92.8Very high16 Ų1651.1 Ų51.18%0.08426%0.26CS..THydrogen-bonded Turntrans-61.5-22.9174.8-59.7-179.4000113.5L417 C418 R419 A433 L436 M447 T451 N455L417-L421 PolarHBondContact O-N 2.94Å; C418-L421 WeakPolarHBondContact O-CB 3.35Å; C418-L421 PolarHBondContact O-N 3.25Å; R419-L421 PolarHBondContact O-N 2.87Å; L421-A433 HydrophobicContact CD2-CB 3.58Å; L421-L436 HydrophobicContact CD1-CD1 3.99Å; L421-L436 HydrophobicContact CD2-CD1 4.23Å; L421-L436 HydrophobicContact CG-CD1 4.28Å; L421-M447 HydrophobicContact CD1-CE 4.18Å; L421-T451 HydrophobicContact CD1-CG2 4.25Å; L421-N455 HydrophobicContact CB-CB 4.41Å; L421-N455 WeakPolarHBondContact CB-O 3.3Å; L421-N455 HydrophobicContact CD1-CB 4.05Å
422T89.4Confident93Very high88 Ų8844.8 Ų44.854%0.5423%0.23SC..THydrogen-bonded Turntrans-108.7-5.9-177.466.80000113.6R419 F420 N455R419-T422 PolarHBondContact O-N 2.76Å; R419-T422 PolarHBondContact O-OG1 3.18Å; F420-T422 PolarHBondContact O-N 3.22Å; T422-N455 WeakPolarHBondContact CG2-OD1 3.46Å
423L85Confident93.1Very high56 Ų5639.5 Ų39.529%0.29321%0.206SC..SBendtrans-72.9150.2178.8-71.3-174.5000112.1R419 F420 A425R419-L423 PolarHBondContact O-N 3.25Å; F420-L423 HydrophobicContact CD1-CD1 3.34Å; F420-L423 HydrophobicContact CD1-CG 4.26Å; F420-L423 HydrophobicContact CE1-CD1 3.77Å; F420-L423 HydrophobicContact CG-CD1 4.32Å; F420-L423 PolarHBondContact O-N 3.2Å; L423-A425 HydrophobicContact CB-CB 4.48Å; L423-A425 PolarHBondContact O-N 3.46Å
424P85.3Confident93Very high121 Ų12141.5 Ų41.579%0.78622%0.216SC*.SBendtrans-69.1-12.217428.6-34.5000113.3M426P424-M426 PolarHBondContact O-N 3.5Å
425A86.1Confident93.1Very high17 Ų1739.9 Ų39.914%0.1421%0.21CC..  trans-72.992.7179.700000111.8H368 L423 I427 L428 R429H368-A425 WeakPolarHBondContact CE1-CB 3.3Å; L423-A425 HydrophobicContact CB-CB 4.48Å; L423-A425 PolarHBondContact O-N 3.46Å; A425-I427 VanDerWaalsContact C-N 3.32Å; A425-I427 PolarHBondContact O-N 2.8Å; A425-L428 HydrophobicContact CB-CB 4.43Å; A425-L428 PolarHBondContact O-N 3.07Å; A425-R429 WeakPolarHBondContact O-CB 3.34Å; A425-R429 PolarHBondContact O-N 2.97Å
426M90.1Very high93.2Very high130 Ų13039.5 Ų39.564%0.6421%0.207SC*.Hα-helixtrans-56.5-40.4-172.1-60.5-170.5-174.300114.1P424 D430P424-M426 PolarHBondContact O-N 3.5Å; M426-D430 WeakPolarHBondContact O-CB 3.39Å; M426-D430 PolarHBondContact O-N 3.39Å
427I91.4Very high93.3Very high115 Ų11538.9 Ų38.959%0.5921%0.205SC*.Hα-helixtrans-63.8-51.2-178.5-64.3168.9000110.7S372 A425 D430 L431S372-I427 WeakPolarHBondContact OG-CG2 3.06Å; A425-I427 VanDerWaalsContact C-N 3.32Å; A425-I427 PolarHBondContact O-N 2.8Å; I427-D430 PolarHBondContact O-N 3.4Å; I427-L431 HydrophobicContact CG2-CD1 3.83Å; I427-L431 HydrophobicContact CG2-CG 4.49Å; I427-L431 WeakPolarHBondContact O-CB 3.38Å; I427-L431 VanDerWaalsContact O-CG 3.31Å; I427-L431 WeakPolarHBondContact O-CG 3.3Å; I427-L431 PolarHBondContact O-N 3.44Å
428L92.2Very high93.2Very high1 Ų138.9 Ų38.91%0.00521%0.205CC..Hα-helixtrans-66.6-40.7179.8-66-171.3000111.9H368 L371 L375 F420 A425 S432H368-L428 HydrophobicContact CB-CD1 3.64Å; H368-L428 HydrophobicContact CB-CD2 4.28Å; H368-L428 HydrophobicContact CB-CG 3.93Å; H368-L428 WeakPolarHBondContact CD2-CD1 3.36Å; L371-L428 HydrophobicContact CB-CD2 3.78Å; L371-L428 HydrophobicContact CD1-CD1 4.15Å; L375-L428 HydrophobicContact CD1-CD2 4.03Å; F420-L428 HydrophobicContact CD2-CB 4.42Å; F420-L428 HydrophobicContact CE2-CD1 4.3Å; F420-L428 HydrophobicContact CZ-CD1 4.22Å; A425-L428 HydrophobicContact CB-CB 4.43Å; A425-L428 PolarHBondContact O-N 3.07Å; L428-S432 WeakPolarHBondContact O-CB 3.28Å; L428-S432 PolarHBondContact O-N 2.77Å; L428-S432 PolarHBondContact O-OG 3.4Å
429R93.3Very high93.2Very high77 Ų7739 Ų3929%0.29121%0.205SC..Hα-helixtrans-57.4-50.9175-176-16466-154.2-6.1110.7F420 A425 S432 A433F420-R429 WeakPolarHBondContact O-CA 3.46Å; F420-R429 WeakPolarHBondContact O-CB 3.27Å; F420-R429 WeakPolarHBondContact O-CG 3.43Å; A425-R429 WeakPolarHBondContact O-CB 3.34Å; A425-R429 PolarHBondContact O-N 2.97Å; R429-S432 PolarHBondContact O-N 2.64Å; R429-A433 WeakPolarHBondContact O-CB 3.35Å; R429-A433 PolarHBondContact O-N 2.76Å
430D93.9Very high93.2Very high53 Ų5336.4 Ų36.428%0.28320%0.195SC..Hα-helixtrans-67-43-176.4-72.37000111M426 I427 E434 K462M426-D430 WeakPolarHBondContact O-CB 3.39Å; M426-D430 PolarHBondContact O-N 3.39Å; I427-D430 PolarHBondContact O-N 3.4Å; D430-E434 VanDerWaalsContact O-CB 3.24Å; D430-E434 WeakPolarHBondContact O-CB 3.38Å; D430-E434 PolarHBondContact O-N 3.44Å; D430-K462 IonicContact OD1-NZ 3.46Å; D430-K462 IonicContact OD2-NZ 3.99Å; D430-K462 PolarHBondContact OD2-NZ 3.23Å
431L95.9Very high93.2Very high29 Ų2937.4 Ų37.415%0.15220%0.2CC..Hα-helixtrans-64.9-40.9176-72.7172.2000112.9S372 L375 T376 I427 E434 L435S372-L431 WeakPolarHBondContact OG-CD1 3.4Å; L375-L431 HydrophobicContact CB-CB 4.05Å; L375-L431 HydrophobicContact CB-CD1 4.21Å; L375-L431 HydrophobicContact CD1-CB 4.25Å; T376-L431 WeakPolarHBondContact OG1-CD2 3.31Å; I427-L431 HydrophobicContact CG2-CD1 3.83Å; I427-L431 HydrophobicContact CG2-CG 4.49Å; I427-L431 WeakPolarHBondContact O-CB 3.38Å; I427-L431 VanDerWaalsContact O-CG 3.31Å; I427-L431 WeakPolarHBondContact O-CG 3.3Å; I427-L431 PolarHBondContact O-N 3.44Å; L431-E434 PolarHBondContact O-N 3.47Å; L431-L435 WeakPolarHBondContact O-CB 3.5Å; L431-L435 PolarHBondContact O-N 2.9Å
432S96.7Very high93Very high0 Ų038 Ų380%020%0.202CC..Hα-helixtrans-68.5-43.6178.8-56.10000111.3F420 L428 R429 E434 L435 L436F420-S432 WeakPolarHBondContact CB-OG 3.25Å; F420-S432 VanDerWaalsContact CD2-OG 3.31Å; F420-S432 WeakPolarHBondContact CD2-OG 3.48Å; L428-S432 WeakPolarHBondContact O-CB 3.28Å; L428-S432 PolarHBondContact O-N 2.77Å; L428-S432 PolarHBondContact O-OG 3.4Å; R429-S432 PolarHBondContact O-N 2.64Å; S432-E434 VanDerWaalsContact C-N 3.31Å; S432-E434 PolarHBondContact O-N 3.47Å; S432-L435 PolarHBondContact O-N 3.45Å; S432-L436 WeakPolarHBondContact O-CB 3.2Å; S432-L436 WeakPolarHBondContact O-CG 3.29Å; S432-L436 PolarHBondContact O-N 3.22Å
433A96.3Very high93Very high4 Ų436 Ų363%0.03319%0.188CC..Hα-helixtrans-60.4-43.4174.900000111.2L421 R429 F437 L459L421-A433 HydrophobicContact CD2-CB 3.58Å; R429-A433 WeakPolarHBondContact O-CB 3.35Å; R429-A433 PolarHBondContact O-N 2.76Å; A433-F437 VanDerWaalsContact O-CB 3.22Å; A433-F437 WeakPolarHBondContact O-CB 2.99Å; A433-F437 PolarHBondContact O-N 3.21Å; A433-L459 HydrophobicContact CB-CB 4.34Å; A433-L459 HydrophobicContact CB-CD1 3.82Å; A433-L459 HydrophobicContact CB-CD2 4.02Å; A433-L459 HydrophobicContact CB-CG 4.25Å
434E95.8Very high93.2Very high47 Ų4733.8 Ų33.822%0.2218%0.177CC..Hα-helixtrans-60.9-50.5175.7-165.562.5-142.900111.8V379 R383 D430 L431 S432 F437 V438 R463V379-E434 HydrophobicContact CG1-CG 3.72Å; V379-E434 HydrophobicContact CG2-CB 4.25Å; V379-E434 HydrophobicContact CG2-CG 4.27Å; R383-E434 IonicContact CZ-OE1 3.87Å; R383-E434 IonicContact NE-OE1 3.53Å; R383-E434 PolarHBondContact NE-OE1 2.91Å; R383-E434 IonicContact NH2-OE1 3.93Å; R383-E434 PolarHBondContact NH2-OE1 2.82Å; D430-E434 VanDerWaalsContact O-CB 3.24Å; D430-E434 WeakPolarHBondContact O-CB 3.38Å; D430-E434 PolarHBondContact O-N 3.44Å; L431-E434 PolarHBondContact O-N 3.47Å; S432-E434 VanDerWaalsContact C-N 3.31Å; S432-E434 PolarHBondContact O-N 3.47Å; E434-F437 PolarHBondContact O-N 2.8Å; E434-V438 VanDerWaalsContact O-CG2 3.3Å; E434-V438 WeakPolarHBondContact O-CG2 3.39Å; E434-V438 PolarHBondContact O-N 3.05Å; E434-R463 IonicContact OE1-NH2 3.87Å; E434-R463 PolarHBondContact OE1-NH2 3.15Å; E434-R463 VanDerWaalsContact OE1-NH2 3.16Å; E434-R463 IonicContact OE2-CZ 3.64Å; E434-R463 IonicContact OE2-NH2 3.39Å; E434-R463 PolarHBondContact OE2-NH2 3.01Å
435L98.2Very high93.4Very high0 Ų030.1 Ų30.10%016%0.161CC..Hα-helixtrans-59-53.6179.9-17956.2000111.1L375 L378 V379 A382 I396 L417 L431 S432 F437 V438 L439L375-L435 HydrophobicContact CD2-CD2 3.91Å; L378-L435 HydrophobicContact CB-CD1 4.04Å; L378-L435 HydrophobicContact CB-CD2 4.17Å; L378-L435 HydrophobicContact CD1-CD2 4.35Å; V379-L435 HydrophobicContact CG2-CB 3.65Å; V379-L435 HydrophobicContact CG2-CD1 4.16Å; V379-L435 HydrophobicContact CG2-CG 4.44Å; A382-L435 HydrophobicContact CB-CD1 4.49Å; I396-L435 HydrophobicContact CD1-CD2 4.14Å; L417-L435 HydrophobicContact CD1-CD2 4.16Å; L431-L435 WeakPolarHBondContact O-CB 3.5Å; L431-L435 PolarHBondContact O-N 2.9Å; S432-L435 PolarHBondContact O-N 3.45Å; L435-F437 VanDerWaalsContact C-N 3.27Å; L435-F437 PolarHBondContact O-N 2.83Å; L435-V438 PolarHBondContact O-N 2.98Å; L435-L439 HydrophobicContact CD1-CD1 3.97Å; L435-L439 HydrophobicContact CD1-CG 4.09Å; L435-L439 HydrophobicContact CG-CD1 3.97Å; L435-L439 HydrophobicContact CG-CG 4.47Å; L435-L439 WeakPolarHBondContact O-CB 3.31Å; L435-L439 WeakPolarHBondContact O-CG 3.25Å; L435-L439 PolarHBondContact O-N 3.15Å
436L97.9Very high93.6Very high0 Ų030.8 Ų30.80%016%0.16CC..Hα-helixtrans-58.6-41.1-179.5-70.7170.7000111.6I396 L397 L417 L421 S432 L439 C440 M447 T451I396-L436 HydrophobicContact CG2-CD2 4.46Å; L397-L436 HydrophobicContact CD1-CD2 4.24Å; L397-L436 HydrophobicContact CD2-CD2 3.76Å; L397-L436 HydrophobicContact CG-CD2 4.27Å; L417-L436 HydrophobicContact CB-CD1 3.94Å; L417-L436 HydrophobicContact CB-CD2 4.2Å; L417-L436 HydrophobicContact CB-CG 4.23Å; L417-L436 HydrophobicContact CD1-CD2 3.97Å; L417-L436 HydrophobicContact CD1-CG 4.31Å; L421-L436 HydrophobicContact CD1-CD1 3.99Å; L421-L436 HydrophobicContact CD2-CD1 4.23Å; L421-L436 HydrophobicContact CG-CD1 4.28Å; S432-L436 WeakPolarHBondContact O-CB 3.2Å; S432-L436 WeakPolarHBondContact O-CG 3.29Å; S432-L436 PolarHBondContact O-N 3.22Å; L436-L439 PolarHBondContact O-N 3.19Å; L436-C440 WeakPolarHBondContact O-CB 3.35Å; L436-C440 PolarHBondContact O-N 3.43Å; L436-C440 PolarHBondContact O-SG 2.75Å; L436-M447 HydrophobicContact CB-CE 3.76Å; L436-M447 HydrophobicContact CB-SD 3.81Å; L436-M447 HydrophobicContact CD1-CE 4.23Å; L436-T451 HydrophobicContact CD1-CG2 4.03Å
437F95.4Very high93.8Very high0 Ų024.6 Ų24.60%013%0.13CC..Hα-helixtrans-69.5-43-179.6-163.7-123.3000112A433 E434 L435 L439 C440 K441 E442 V444 M447 L459 F460 R463 I465A433-F437 VanDerWaalsContact O-CB 3.22Å; A433-F437 WeakPolarHBondContact O-CB 2.99Å; A433-F437 PolarHBondContact O-N 3.21Å; E434-F437 PolarHBondContact O-N 2.8Å; L435-F437 VanDerWaalsContact C-N 3.27Å; L435-F437 PolarHBondContact O-N 2.83Å; F437-L439 PolarHBondContact O-N 3.21Å; F437-C440 CarbonylContact O-C 3.52Å; F437-C440 WeakPolarHBondContact O-CA 3.33Å; F437-C440 WeakPolarHBondContact O-CB 3.47Å; F437-C440 PolarHBondContact O-N 2.96Å; F437-C440 VanDerWaalsContact O-N 3.08Å; F437-K441 PolarHBondContact O-N 2.9Å; F437-E442 HydrophobicContact CD1-CB 3.73Å; F437-E442 HydrophobicContact CD1-CG 3.55Å; F437-E442 VanDerWaalsContact CE1-CA 3.46Å; F437-E442 HydrophobicContact CE1-CB 3.32Å; F437-E442 HydrophobicContact CE1-CG 3.63Å; F437-E442 HydrophobicContact CE2-CB 4.39Å; F437-E442 WeakPolarHBondContact CE2-O 2.93Å; F437-E442 HydrophobicContact CG-CB 4.43Å; F437-E442 HydrophobicContact CG-CG 4.33Å; F437-E442 VanDerWaalsContact CZ-CA 3.43Å; F437-E442 HydrophobicContact CZ-CB 3.72Å; F437-E442 HydrophobicContact CZ-CG 4.46Å; F437-E442 WeakPolarHBondContact CZ-O 3.48Å; F437-E442 WeakPolarHBondContact O-CA 3.34Å; F437-E442 PolarHBondContact O-N 3.48Å; F437-V444 HydrophobicContact CE2-CG2 4.49Å; F437-M447 HydrophobicContact CD2-CB 4.17Å; F437-M447 HydrophobicContact CD2-CG 4.23Å; F437-M447 HydrophobicContact CD2-SD 4.43Å; F437-L459 HydrophobicContact CB-CD2 4.2Å; F437-L459 HydrophobicContact CG-CD2 4.33Å; F437-F460 HydrophobicContact CE2-CE1 4.44Å; F437-R463 VanDerWaalsContact CD1-CZ 3.45Å; F437-I465 HydrophobicContact CZ-CD1 4.08Å
438V95.5Very high93.9Very high0 Ų020.5 Ų20.50%011%0.109CC..Hα-helixtrans-60.9-44.5173.9172.30000111.1A382 R383 R389 E434 L435 C440 K441A382-V438 HydrophobicContact CB-CG1 3.65Å; R383-V438 HydrophobicContact CG-CB 4.46Å; R383-V438 HydrophobicContact CG-CG1 3.8Å; R383-V438 HydrophobicContact CG-CG2 3.76Å; R389-V438 WeakPolarHBondContact CD-O 3.29Å; E434-V438 VanDerWaalsContact O-CG2 3.3Å; E434-V438 WeakPolarHBondContact O-CG2 3.39Å; E434-V438 PolarHBondContact O-N 3.05Å; L435-V438 PolarHBondContact O-N 2.98Å; V438-C440 PolarHBondContact O-N 3.42Å; V438-K441 WeakPolarHBondContact O-CA 3.3Å; V438-K441 PolarHBondContact O-N 3.11Å
439L96.6Very high93.8Very high1 Ų121.8 Ų21.81%0.00511%0.114CC..Hα-helixtrans-63.8-25.4175.4-64.9175.6000112.7A382 R389 L392 R393 I396 L397 L435 L436 F437 K441A382-L439 HydrophobicContact CB-CD2 4.03Å; R389-L439 HydrophobicContact CG-CD2 4.19Å; L392-L439 HydrophobicContact CB-CD2 3.71Å; R393-L439 HydrophobicContact CB-CD2 4.25Å; R393-L439 PolarHBondContact NH1-O 3.41Å; I396-L439 HydrophobicContact CB-CD1 3.98Å; I396-L439 HydrophobicContact CD1-CD1 3.72Å; I396-L439 HydrophobicContact CG1-CD1 4.44Å; I396-L439 HydrophobicContact CG2-CD1 4.02Å; L397-L439 HydrophobicContact CD1-CB 3.94Å; L435-L439 HydrophobicContact CD1-CD1 3.97Å; L435-L439 HydrophobicContact CD1-CG 4.09Å; L435-L439 HydrophobicContact CG-CD1 3.97Å; L435-L439 HydrophobicContact CG-CG 4.47Å; L435-L439 WeakPolarHBondContact O-CB 3.31Å; L435-L439 WeakPolarHBondContact O-CG 3.25Å; L435-L439 PolarHBondContact O-N 3.15Å; L436-L439 PolarHBondContact O-N 3.19Å; F437-L439 PolarHBondContact O-N 3.21Å; L439-K441 VanDerWaalsContact C-N 3.26Å; L439-K441 PolarHBondContact O-N 3.2Å
440C94.4Very high93.8Very high0 Ų018.1 Ų18.10%010%0.101CC..THydrogen-bonded Turntrans-8511.4171.5-69.50000113.7L436 F437 V438 E442 N443 R446 M447L436-C440 WeakPolarHBondContact O-CB 3.35Å; L436-C440 PolarHBondContact O-N 3.43Å; L436-C440 PolarHBondContact O-SG 2.75Å; F437-C440 CarbonylContact O-C 3.52Å; F437-C440 WeakPolarHBondContact O-CA 3.33Å; F437-C440 WeakPolarHBondContact O-CB 3.47Å; F437-C440 PolarHBondContact O-N 2.96Å; F437-C440 VanDerWaalsContact O-N 3.08Å; V438-C440 PolarHBondContact O-N 3.42Å; C440-E442 PolarHBondContact O-N 3.12Å; C440-N443 VanDerWaalsContact O-CB 3.24Å; C440-N443 WeakPolarHBondContact O-CB 3.29Å; C440-N443 PolarHBondContact O-N 2.73Å; C440-N443 VanDerWaalsContact O-N 3.09Å; C440-R446 HydrophobicContact CB-CB 3.97Å; C440-M447 HydrophobicContact CB-CB 4.48Å
441K92.1Very high93.9Very high31 Ų3115.6 Ų15.614%0.1359%0.087CC..THydrogen-bonded Turntrans53.832.7-173-56.5-173.5179.7-174.30112.6F437 V438 L439 N443 Y476 S477 S478F437-K441 PolarHBondContact O-N 2.9Å; V438-K441 WeakPolarHBondContact O-CA 3.3Å; V438-K441 PolarHBondContact O-N 3.11Å; L439-K441 VanDerWaalsContact C-N 3.26Å; L439-K441 PolarHBondContact O-N 3.2Å; K441-N443 PolarHBondContact O-N 2.8Å; K441-N443 VanDerWaalsContact O-N 3.09Å; K441-Y476 HydrophobicContact CB-CD1 4.42Å; K441-Y476 HydrophobicContact CB-CD2 3.94Å; K441-Y476 HydrophobicContact CB-CE2 4.39Å; K441-Y476 HydrophobicContact CB-CG 3.98Å; K441-Y476 HydrophobicContact CG-CD1 4.44Å; K441-Y476 HydrophobicContact CG-CG 4.33Å; K441-Y476 WeakPolarHBondContact O-CD2 3.02Å; K441-S477 PolarHBondContact NZ-O 3.35Å; K441-S478 PolarHBondContact NZ-O 2.95Å
442E91.2Very high93.8Very high28 Ų2814.2 Ų14.213%0.1318%0.08CC..THydrogen-bonded Turntrans56.328-177.4-58.4-174.7140.200113.2R383 F437 C440 R463 T474 Y476R383-E442 IonicContact CZ-OE1 2.76Å; R383-E442 IonicContact NH1-OE1 2.64Å; R383-E442 IonicContact NH2-OE1 3.5Å; R383-E442 PolarHBondContact NH2-OE1 3.11Å; F437-E442 HydrophobicContact CD1-CB 3.73Å; F437-E442 HydrophobicContact CD1-CG 3.55Å; F437-E442 VanDerWaalsContact CE1-CA 3.46Å; F437-E442 HydrophobicContact CE1-CB 3.32Å; F437-E442 HydrophobicContact CE1-CG 3.63Å; F437-E442 HydrophobicContact CE2-CB 4.39Å; F437-E442 WeakPolarHBondContact CE2-O 2.93Å; F437-E442 HydrophobicContact CG-CB 4.43Å; F437-E442 HydrophobicContact CG-CG 4.33Å; F437-E442 VanDerWaalsContact CZ-CA 3.43Å; F437-E442 HydrophobicContact CZ-CB 3.72Å; F437-E442 HydrophobicContact CZ-CG 4.46Å; F437-E442 WeakPolarHBondContact CZ-O 3.48Å; F437-E442 WeakPolarHBondContact O-CA 3.34Å; F437-E442 PolarHBondContact O-N 3.48Å; C440-E442 PolarHBondContact O-N 3.12Å; E442-R463 IonicContact OE1-NH1 3.32Å; E442-T474 HydrophobicContact CB-CG2 4.29Å; E442-T474 WeakPolarHBondContact OE2-CG2 3.28Å; E442-Y476 HydrophobicContact CB-CE2 4.09Å; E442-Y476 HydrophobicContact CG-CE2 3.87Å
443N89.4Confident93.5Very high45 Ų4517.5 Ų17.524%0.2419%0.093CC..  trans-94.7119.4178.5-176.2-61000110.6C440 K441 G445 R446 M447C440-N443 VanDerWaalsContact O-CB 3.24Å; C440-N443 WeakPolarHBondContact O-CB 3.29Å; C440-N443 PolarHBondContact O-N 2.73Å; C440-N443 VanDerWaalsContact O-N 3.09Å; K441-N443 PolarHBondContact O-N 2.8Å; K441-N443 VanDerWaalsContact O-N 3.09Å; N443-G445 PolarHBondContact O-N 3.3Å; N443-G445 WeakPolarHBondContact OD1-CA 3.37Å; N443-G445 PolarHBondContact OD1-N 2.82Å; N443-R446 HydrophobicContact CB-CB 4.11Å; N443-R446 HydrophobicContact CB-CG 4.09Å; N443-R446 PolarHBondContact O-N 2.7Å; N443-R446 PolarHBondContact OD1-N 3.18Å; N443-M447 WeakPolarHBondContact O-CB 3.36Å; N443-M447 PolarHBondContact O-N 3.29Å
444V90.2Very high93.3Very high10 Ų1019.3 Ų19.36%0.06111%0.111CC..Hα-helixtrans-59.1-44.7-179.4177.50000112F437 R446 M447 I448 F460 I465 C468F437-V444 HydrophobicContact CE2-CG2 4.49Å; V444-R446 PolarHBondContact O-N 3Å; V444-M447 WeakPolarHBondContact O-CB 3.41Å; V444-M447 PolarHBondContact O-N 2.96Å; V444-I448 HydrophobicContact CG1-CD1 3.74Å; V444-I448 HydrophobicContact CG1-CG1 4.35Å; V444-I448 VanDerWaalsContact O-CG1 3.3Å; V444-I448 WeakPolarHBondContact O-CG1 3.46Å; V444-I448 PolarHBondContact O-N 3.27Å; V444-F460 HydrophobicContact CG1-CE1 4.23Å; V444-F460 HydrophobicContact CG1-CE2 4.09Å; V444-F460 HydrophobicContact CG1-CZ 3.86Å; V444-F460 HydrophobicContact CG2-CE1 4.41Å; V444-I465 HydrophobicContact CG2-CD1 3.94Å; V444-C468 HydrophobicContact CG1-CB 4.46Å
445G89.3Confident93.2Very high45 Ų4517.7 Ų17.746%0.46410%0.104SC..Hα-helixtrans-62.8-42.7179.900000112.5N443 I448 K449N443-G445 PolarHBondContact O-N 3.3Å; N443-G445 WeakPolarHBondContact OD1-CA 3.37Å; N443-G445 PolarHBondContact OD1-N 2.82Å; G445-I448 PolarHBondContact O-N 3.2Å; G445-K449 PolarHBondContact O-N 3.49Å
446R90.9Very high93Very high30 Ų3017.7 Ų17.711%0.11310%0.104CC..Hα-helixtrans-64.6-44.1174-67.4-174-178-178.57.6111.3C440 N443 V444 I448 K449 Y450 D479C440-R446 HydrophobicContact CB-CB 3.97Å; N443-R446 HydrophobicContact CB-CB 4.11Å; N443-R446 HydrophobicContact CB-CG 4.09Å; N443-R446 PolarHBondContact O-N 2.7Å; N443-R446 PolarHBondContact OD1-N 3.18Å; V444-R446 PolarHBondContact O-N 3Å; R446-I448 VanDerWaalsContact C-N 3.34Å; R446-I448 PolarHBondContact O-N 3.18Å; R446-K449 WeakPolarHBondContact O-CB 3.48Å; R446-K449 PolarHBondContact O-N 3.16Å; R446-Y450 VanDerWaalsContact O-CD2 3.26Å; R446-Y450 WeakPolarHBondContact O-CD2 3.43Å; R446-Y450 PolarHBondContact O-N 3.33Å; R446-D479 IonicContact CZ-OD1 2.72Å; R446-D479 IonicContact NH1-OD1 2.99Å; R446-D479 PolarHBondContact NH2-O 2.84Å; R446-D479 IonicContact NH2-OD1 3.51Å; R446-D479 PolarHBondContact NH2-OD1 3.43Å
447M93.2Very high92.6Very high0 Ų019.1 Ų19.10%012%0.116CC..Hα-helixtrans-57.6-47.3176.8-174.968.3179.200111.4L421 L436 F437 C440 N443 V444 K449 Y450 T451 A456 L459 F460L421-M447 HydrophobicContact CD1-CE 4.18Å; L436-M447 HydrophobicContact CB-CE 3.76Å; L436-M447 HydrophobicContact CB-SD 3.81Å; L436-M447 HydrophobicContact CD1-CE 4.23Å; F437-M447 HydrophobicContact CD2-CB 4.17Å; F437-M447 HydrophobicContact CD2-CG 4.23Å; F437-M447 HydrophobicContact CD2-SD 4.43Å; C440-M447 HydrophobicContact CB-CB 4.48Å; N443-M447 WeakPolarHBondContact O-CB 3.36Å; N443-M447 PolarHBondContact O-N 3.29Å; V444-M447 WeakPolarHBondContact O-CB 3.41Å; V444-M447 PolarHBondContact O-N 2.96Å; M447-K449 PolarHBondContact O-N 3.34Å; M447-Y450 PolarHBondContact O-N 3.38Å; M447-T451 HydrophobicContact CE-CG2 3.8Å; M447-T451 WeakPolarHBondContact O-CB 3.46Å; M447-T451 PolarHBondContact O-N 3.02Å; M447-T451 PolarHBondContact O-OG1 2.7Å; M447-T451 HydrophobicContact SD-CG2 3.92Å; M447-A456 HydrophobicContact CE-CB 4.19Å; M447-A456 HydrophobicContact CG-CB 4.18Å; M447-L459 HydrophobicContact CE-CD2 4.15Å; M447-F460 HydrophobicContact CB-CE1 4.38Å; M447-F460 HydrophobicContact CB-CZ 4.05Å; M447-F460 HydrophobicContact CG-CE1 4.01Å; M447-F460 HydrophobicContact CG-CZ 3.77Å
448I92.9Very high92.2Very high29 Ų2921.8 Ų21.815%0.14914%0.144CC..Hα-helixtrans-60.7-44.1177-68167.2000111V444 G445 R446 Y450 T451 G452 Y453 F460 P497V444-I448 HydrophobicContact CG1-CD1 3.74Å; V444-I448 HydrophobicContact CG1-CG1 4.35Å; V444-I448 VanDerWaalsContact O-CG1 3.3Å; V444-I448 WeakPolarHBondContact O-CG1 3.46Å; V444-I448 PolarHBondContact O-N 3.27Å; G445-I448 PolarHBondContact O-N 3.2Å; R446-I448 VanDerWaalsContact C-N 3.34Å; R446-I448 PolarHBondContact O-N 3.18Å; I448-Y450 VanDerWaalsContact C-N 3.28Å; I448-Y450 PolarHBondContact O-N 2.97Å; I448-T451 PolarHBondContact O-N 3.47Å; I448-G452 WeakPolarHBondContact O-CA 3.3Å; I448-G452 PolarHBondContact O-N 2.81Å; I448-Y453 HydrophobicContact CD1-CD2 3.81Å; I448-Y453 HydrophobicContact CG1-CD2 4.19Å; I448-F460 HydrophobicContact CD1-CE2 4.21Å; I448-F460 HydrophobicContact CG1-CE2 3.81Å; I448-F460 HydrophobicContact CG1-CZ 4.07Å; I448-P497 HydrophobicContact CG2-CB 4.19Å; I448-P497 WeakPolarHBondContact CG2-O 3.24Å
449K91Very high91.9Very high28 Ų2822.8 Ų22.812%0.12215%0.149CC..Hα-helixtrans-52.9-45176.8170177.5176.7-172.20112.1L400 G445 R446 M447 S483 D484 Y488L400-K449 HydrophobicContact CD1-CD 4.49Å; L400-K449 HydrophobicContact CD1-CG 3.75Å; L400-K449 VanDerWaalsContact CD1-O 3.31Å; L400-K449 WeakPolarHBondContact CD1-O 3.31Å; G445-K449 PolarHBondContact O-N 3.49Å; R446-K449 WeakPolarHBondContact O-CB 3.48Å; R446-K449 PolarHBondContact O-N 3.16Å; M447-K449 PolarHBondContact O-N 3.34Å; K449-S483 PolarHBondContact NZ-O 3.44Å; K449-S483 VanDerWaalsContact NZ-O 3.12Å; K449-S483 PolarHBondContact NZ-OG 3.27Å; K449-S483 VanDerWaalsContact NZ-OG 3.12Å; K449-D484 IonicContact NZ-OD1 2.73Å; K449-D484 PolarHBondContact NZ-OD1 3.04Å; K449-Y488 HydrophobicContact CD-CE1 4.25Å; K449-Y488 HydrophobicContact CD-CE2 4.42Å; K449-Y488 HydrophobicContact CG-CE2 4.14Å
450Y93.9Very high91.6Very high1 Ų122.8 Ų22.80%0.00415%0.149CC..Hα-helixtrans-88.1-24.3-174.3-75.3-80000114.6R393 L397 P398 L400 R446 M447 I448 S483R393-Y450 PolarHBondContact NH2-OH 3Å; L397-Y450 HydrophobicContact CB-CD1 4.04Å; L397-Y450 HydrophobicContact CB-CE1 4.1Å; L397-Y450 HydrophobicContact CB-CG 4.47Å; L397-Y450 HydrophobicContact CD1-CG 4.39Å; L397-Y450 HydrophobicContact CD2-CD1 4.03Å; L397-Y450 HydrophobicContact CD2-CG 4.15Å; P398-Y450 WeakPolarHBondContact O-CE1 3.19Å; L400-Y450 HydrophobicContact CD1-CD1 4.23Å; L400-Y450 HydrophobicContact CD1-CE1 4.36Å; L400-Y450 HydrophobicContact CD2-CD1 3.78Å; L400-Y450 HydrophobicContact CD2-CE1 3.95Å; L400-Y450 HydrophobicContact CG-CD1 3.92Å; L400-Y450 HydrophobicContact CG-CE1 3.75Å; R446-Y450 VanDerWaalsContact O-CD2 3.26Å; R446-Y450 WeakPolarHBondContact O-CD2 3.43Å; R446-Y450 PolarHBondContact O-N 3.33Å; M447-Y450 PolarHBondContact O-N 3.38Å; I448-Y450 VanDerWaalsContact C-N 3.28Å; I448-Y450 PolarHBondContact O-N 2.97Å; Y450-S483 PolarHBondContact OH-OG 3.41Å; Y450-S483 VanDerWaalsContact OH-OG 3.11Å
451T95.1Very high91.3Very high0 Ų025.2 Ų25.20%017%0.169CC..Hα-helixtrans-120.6-19.5-169.665.80000114.5P407 L421 L436 M447 I448 N455P407-T451 WeakPolarHBondContact CG-O 3.49Å; L421-T451 HydrophobicContact CD1-CG2 4.25Å; L436-T451 HydrophobicContact CD1-CG2 4.03Å; M447-T451 HydrophobicContact CE-CG2 3.8Å; M447-T451 WeakPolarHBondContact O-CB 3.46Å; M447-T451 PolarHBondContact O-N 3.02Å; M447-T451 PolarHBondContact O-OG1 2.7Å; M447-T451 HydrophobicContact SD-CG2 3.92Å; I448-T451 PolarHBondContact O-N 3.47Å; T451-N455 WeakPolarHBondContact O-CB 3.48Å; T451-N455 PolarHBondContact O-ND2 3.24Å
452G92.9Very high91Very high0 Ų030.6 Ų30.60%019%0.192CC..  trans76.4139.2-167.200000112.1I448 G454 N455 A456I448-G452 WeakPolarHBondContact O-CA 3.3Å; I448-G452 PolarHBondContact O-N 2.81Å; G452-G454 PolarHBondContact O-N 3.43Å; G452-N455 PolarHBondContact O-N 2.89Å; G452-A456 PolarHBondContact O-N 3.47Å
453Y92.3Very high90.6Very high69 Ų6933.1 Ų33.127%0.27120%0.201SC..Hα-helixtrans-60.1-35.2-179178.7-87.6000112I448 N455 A456 A457 F460 P497 V498I448-Y453 HydrophobicContact CD1-CD2 3.81Å; I448-Y453 HydrophobicContact CG1-CD2 4.19Å; Y453-N455 PolarHBondContact O-N 3.44Å; Y453-A456 CarbonylContact O-C 3.52Å; Y453-A456 PolarHBondContact O-N 2.99Å; Y453-A457 HydrophobicContact CD1-CB 4.47Å; Y453-A457 HydrophobicContact CE1-CB 4.25Å; Y453-A457 WeakPolarHBondContact O-CA 3.48Å; Y453-A457 VanDerWaalsContact O-CB 3.31Å; Y453-A457 WeakPolarHBondContact O-CB 3.35Å; Y453-A457 PolarHBondContact O-N 3.47Å; Y453-F460 AromaticContact CD2-CD2 3.99Å; Y453-F460 HydrophobicContact CD2-CD2 3.99Å; Y453-F460 AromaticContact CD2-CE2 3.96Å; Y453-F460 HydrophobicContact CD2-CE2 3.96Å; Y453-F460 AromaticContact CE2-CD2 3.91Å; Y453-F460 HydrophobicContact CE2-CD2 3.91Å; Y453-F460 HydrophobicContact CE2-CE2 4.32Å; Y453-P497 WeakPolarHBondContact CB-O 3.49Å; Y453-P497 PolarHBondContact N-O 3.23Å; Y453-V498 PolarHBondContact N-O 2.64Å
454G91.9Very high90.3Very high41 Ų4134.2 Ų34.242%0.42322%0.222SC..Hα-helixtrans-59.9-46.4178.700000113.1G452 V498G452-G454 PolarHBondContact O-N 3.43Å; G454-V498 PolarHBondContact N-O 2.97Å
455N93.4Very high89.9Confident14 Ų1434.8 Ų34.88%0.07523%0.225CC..Hα-helixtrans-67.5-37.1177.6-67.2-31.7000111.5E408 L421 T422 T451 G452 Y453E408-N455 PolarHBondContact OE2-ND2 3.46Å; L421-N455 HydrophobicContact CB-CB 4.41Å; L421-N455 WeakPolarHBondContact CB-O 3.3Å; L421-N455 HydrophobicContact CD1-CB 4.05Å; T422-N455 WeakPolarHBondContact CG2-OD1 3.46Å; T451-N455 WeakPolarHBondContact O-CB 3.48Å; T451-N455 PolarHBondContact O-ND2 3.24Å; G452-N455 PolarHBondContact O-N 2.89Å; Y453-N455 PolarHBondContact O-N 3.44Å
456A93Very high89.3Confident0 Ų036.4 Ų36.40%022%0.223CC..Hα-helixtrans-86.5-9.2-178.500000114.8M447 G452 Y453 G458 L459 F460M447-A456 HydrophobicContact CE-CB 4.19Å; M447-A456 HydrophobicContact CG-CB 4.18Å; G452-A456 PolarHBondContact O-N 3.47Å; Y453-A456 CarbonylContact O-C 3.52Å; Y453-A456 PolarHBondContact O-N 2.99Å; A456-G458 VanDerWaalsContact C-N 3.29Å; A456-G458 PolarHBondContact O-N 3.32Å; A456-L459 WeakPolarHBondContact O-CB 3.41Å; A456-L459 PolarHBondContact O-N 3.43Å; A456-F460 HydrophobicContact CB-CD2 4.17Å; A456-F460 HydrophobicContact CB-CE1 4.22Å; A456-F460 HydrophobicContact CB-CE2 3.55Å; A456-F460 HydrophobicContact CB-CZ 3.58Å; A456-F460 PolarHBondContact O-N 2.93Å; A456-F460 VanDerWaalsContact O-N 3.1Å
457A90.5Very high88.2Confident30 Ų3040.6 Ų40.625%0.24825%0.247CC..Hα-helixtrans-57-40.4-172.200000112.9Y453 L459 F460 A461Y453-A457 HydrophobicContact CD1-CB 4.47Å; Y453-A457 HydrophobicContact CE1-CB 4.25Å; Y453-A457 WeakPolarHBondContact O-CA 3.48Å; Y453-A457 VanDerWaalsContact O-CB 3.31Å; Y453-A457 WeakPolarHBondContact O-CB 3.35Å; Y453-A457 PolarHBondContact O-N 3.47Å; A457-L459 VanDerWaalsContact C-N 3.34Å; A457-L459 PolarHBondContact O-N 3.26Å; A457-F460 PolarHBondContact O-N 2.92Å; A457-A461 WeakPolarHBondContact O-CB 3.36Å; A457-A461 PolarHBondContact O-N 2.94Å
458G87.6Confident86.6Confident56 Ų5643.8 Ų43.858%0.57727%0.269SS*.Hα-helixtrans-62-38.5177.400000113.2A456 K462A456-G458 VanDerWaalsContact C-N 3.29Å; A456-G458 PolarHBondContact O-N 3.32Å; G458-K462 WeakPolarHBondContact O-CB 3.41Å; G458-K462 PolarHBondContact O-N 3.45Å; G458-K462 VanDerWaalsContact O-N 3.1Å
459L88.2Confident84.8Confident21 Ų2150.8 Ų50.811%0.1129%0.293CS..Hα-helixtrans-66-47.7174.7176.968000110.9A433 F437 M447 A456 A457 A461 K462 R463A433-L459 HydrophobicContact CB-CB 4.34Å; A433-L459 HydrophobicContact CB-CD1 3.82Å; A433-L459 HydrophobicContact CB-CD2 4.02Å; A433-L459 HydrophobicContact CB-CG 4.25Å; F437-L459 HydrophobicContact CB-CD2 4.2Å; F437-L459 HydrophobicContact CG-CD2 4.33Å; M447-L459 HydrophobicContact CE-CD2 4.15Å; A456-L459 WeakPolarHBondContact O-CB 3.41Å; A456-L459 PolarHBondContact O-N 3.43Å; A457-L459 VanDerWaalsContact C-N 3.34Å; A457-L459 PolarHBondContact O-N 3.26Å; L459-A461 VanDerWaalsContact C-N 3.33Å; L459-A461 PolarHBondContact O-N 3.09Å; L459-K462 PolarHBondContact O-N 2.89Å; L459-R463 HydrophobicContact CD1-CG 4.37Å; L459-R463 PolarHBondContact O-N 3.08Å
460F89.9Confident83.1Confident0 Ų059.9 Ų59.90%033%0.327CS..Hα-helixtrans-64-39.1-178.5-60.5-26.6000112.1F437 V444 M447 I448 Y453 A456 A457 R463 G464 I465 L466F437-F460 HydrophobicContact CE2-CE1 4.44Å; V444-F460 HydrophobicContact CG1-CE1 4.23Å; V444-F460 HydrophobicContact CG1-CE2 4.09Å; V444-F460 HydrophobicContact CG1-CZ 3.86Å; V444-F460 HydrophobicContact CG2-CE1 4.41Å; M447-F460 HydrophobicContact CB-CE1 4.38Å; M447-F460 HydrophobicContact CB-CZ 4.05Å; M447-F460 HydrophobicContact CG-CE1 4.01Å; M447-F460 HydrophobicContact CG-CZ 3.77Å; I448-F460 HydrophobicContact CD1-CE2 4.21Å; I448-F460 HydrophobicContact CG1-CE2 3.81Å; I448-F460 HydrophobicContact CG1-CZ 4.07Å; Y453-F460 AromaticContact CD2-CD2 3.99Å; Y453-F460 HydrophobicContact CD2-CD2 3.99Å; Y453-F460 AromaticContact CD2-CE2 3.96Å; Y453-F460 HydrophobicContact CD2-CE2 3.96Å; Y453-F460 AromaticContact CE2-CD2 3.91Å; Y453-F460 HydrophobicContact CE2-CD2 3.91Å; Y453-F460 HydrophobicContact CE2-CE2 4.32Å; A456-F460 HydrophobicContact CB-CD2 4.17Å; A456-F460 HydrophobicContact CB-CE1 4.22Å; A456-F460 HydrophobicContact CB-CE2 3.55Å; A456-F460 HydrophobicContact CB-CZ 3.58Å; A456-F460 PolarHBondContact O-N 2.93Å; A456-F460 VanDerWaalsContact O-N 3.1Å; A457-F460 PolarHBondContact O-N 2.92Å; F460-R463 PolarHBondContact O-N 3.32Å; F460-G464 PolarHBondContact O-N 2.77Å; F460-I465 HydrophobicContact CB-CG1 3.94Å; F460-I465 HydrophobicContact CD1-CD1 3.75Å; F460-I465 HydrophobicContact CD1-CG1 3.93Å; F460-I465 HydrophobicContact CE1-CD1 4.39Å; F460-I465 HydrophobicContact CG-CG1 4.26Å; F460-I465 PolarHBondContact O-N 2.94Å; F460-L466 HydrophobicContact CB-CD2 3.89Å
461A87.5Confident81.3Confident52 Ų5262.6 Ų62.643%0.4334%0.343SS..Hα-helixtrans-60.3-48.8172.200000111.6A457 L459 R463 G464 L466A457-A461 WeakPolarHBondContact O-CB 3.36Å; A457-A461 PolarHBondContact O-N 2.94Å; L459-A461 VanDerWaalsContact C-N 3.33Å; L459-A461 PolarHBondContact O-N 3.09Å; A461-R463 VanDerWaalsContact C-N 3.27Å; A461-R463 PolarHBondContact O-N 3.01Å; A461-G464 PolarHBondContact O-N 3.37Å; A461-G464 VanDerWaalsContact O-N 3.16Å; A461-L466 HydrophobicContact CB-CD1 3.99Å; A461-L466 HydrophobicContact CB-CD2 4.14Å; A461-L466 HydrophobicContact CB-CG 4.25Å
462K86.4Confident79.1Confident143 Ų14371.7 Ų71.762%0.62239%0.386SS*.Hα-helixtrans-60.8-34.9179.2-171.5-178.9-178.3-172.20112.7D430 G458 L459D430-K462 IonicContact OD1-NZ 3.46Å; D430-K462 IonicContact OD2-NZ 3.99Å; D430-K462 PolarHBondContact OD2-NZ 3.23Å; G458-K462 WeakPolarHBondContact O-CB 3.41Å; G458-K462 PolarHBondContact O-N 3.45Å; G458-K462 VanDerWaalsContact O-N 3.1Å; L459-K462 PolarHBondContact O-N 2.89Å
463R84Confident77.1Confident82 Ų8275.2 Ų75.231%0.30942%0.423SS..Hα-helixtrans-89.4-3179.3-68.1-172.5-179.3-146.68.8114.3E434 F437 E442 L459 F460 A461 I465E434-R463 IonicContact OE1-NH2 3.87Å; E434-R463 PolarHBondContact OE1-NH2 3.15Å; E434-R463 VanDerWaalsContact OE1-NH2 3.16Å; E434-R463 IonicContact OE2-CZ 3.64Å; E434-R463 IonicContact OE2-NH2 3.39Å; E434-R463 PolarHBondContact OE2-NH2 3.01Å; F437-R463 VanDerWaalsContact CD1-CZ 3.45Å; E442-R463 IonicContact OE1-NH1 3.32Å; L459-R463 HydrophobicContact CD1-CG 4.37Å; L459-R463 PolarHBondContact O-N 3.08Å; F460-R463 PolarHBondContact O-N 3.32Å; A461-R463 VanDerWaalsContact C-N 3.27Å; A461-R463 PolarHBondContact O-N 3.01Å; R463-I465 VanDerWaalsContact C-N 3.32Å; R463-I465 HydrophobicContact CB-CD1 4.03Å; R463-I465 HydrophobicContact CB-CG1 3.99Å; R463-I465 PolarHBondContact O-N 3.2Å
464G81.9Confident75.2Confident67 Ų6774.5 Ų74.569%0.69143%0.425SS*.THydrogen-bonded Turntrans69.424.7-178.700000114.6F460 A461F460-G464 PolarHBondContact O-N 2.77Å; A461-G464 PolarHBondContact O-N 3.37Å; A461-G464 VanDerWaalsContact O-N 3.16Å
465I82.5Confident73.8Confident22 Ų2280.8 Ų80.811%0.11345%0.449CS..  trans-111.224.2-175.360-178.8000113.3F437 V444 F460 R463 D467 C468 V471F437-I465 HydrophobicContact CZ-CD1 4.08Å; V444-I465 HydrophobicContact CG2-CD1 3.94Å; F460-I465 HydrophobicContact CB-CG1 3.94Å; F460-I465 HydrophobicContact CD1-CD1 3.75Å; F460-I465 HydrophobicContact CD1-CG1 3.93Å; F460-I465 HydrophobicContact CE1-CD1 4.39Å; F460-I465 HydrophobicContact CG-CG1 4.26Å; F460-I465 PolarHBondContact O-N 2.94Å; R463-I465 VanDerWaalsContact C-N 3.32Å; R463-I465 HydrophobicContact CB-CD1 4.03Å; R463-I465 HydrophobicContact CB-CG1 3.99Å; R463-I465 PolarHBondContact O-N 3.2Å; I465-D467 PolarHBondContact O-N 2.91Å; I465-C468 PolarHBondContact O-N 3.3Å; I465-V471 HydrophobicContact CG2-CG2 4.25Å
466L75.9Confident72.4Confident80 Ų8082.5 Ų82.542%0.41946%0.455SS..THydrogen-bonded Turntrans-60.4-28177.7-70.4172.2000113.3F460 A461 C468F460-L466 HydrophobicContact CB-CD2 3.89Å; A461-L466 HydrophobicContact CB-CD1 3.99Å; A461-L466 HydrophobicContact CB-CD2 4.14Å; A461-L466 HydrophobicContact CB-CG 4.25Å; L466-C468 PolarHBondContact O-N 3Å
467D68.3Low70.9Confident117 Ų11787.3 Ų87.363%0.62649%0.489SS*.THydrogen-bonded Turntrans-66.51173.9-80.311.1000113.4I465 R469I465-D467 PolarHBondContact O-N 2.91Å; D467-R469 HydrophobicContact CB-CG 3.97Å; D467-R469 PolarHBondContact O-N 2.86Å; D467-R469 IonicContact OD2-CZ 3.17Å; D467-R469 IonicContact OD2-NE 3.75Å; D467-R469 PolarHBondContact OD2-NE 3.14Å; D467-R469 IonicContact OD2-NH2 3.95Å; D467-R469 PolarHBondContact OD2-NH2 3Å
468C59.1Low68.8Low67 Ų6790 Ų9045%0.45351%0.506SS..  trans55.120.8-176.1-66.20000114.1V444 I465 L466V444-C468 HydrophobicContact CG1-CB 4.46Å; I465-C468 PolarHBondContact O-N 3.3Å; L466-C468 PolarHBondContact O-N 3Å
469R56.8Low67.1Low176 Ų17691.6 Ų91.666%0.66450%0.501SS*.  trans-65145.8174.4-66.3-176-163.3-163.45.9109.6D467 V471D467-R469 HydrophobicContact CB-CG 3.97Å; D467-R469 PolarHBondContact O-N 2.86Å; D467-R469 IonicContact OD2-CZ 3.17Å; D467-R469 IonicContact OD2-NE 3.75Å; D467-R469 PolarHBondContact OD2-NE 3.14Å; D467-R469 IonicContact OD2-NH2 3.95Å; D467-R469 PolarHBondContact OD2-NH2 3Å; R469-V471 PolarHBondContact O-N 2.81Å
470R53.8Low65.1Low219 Ų21995.6 Ų95.683%0.82653%0.531SS*.  trans-57.6133.8167.8-70.8-177.5178.5-174.4-1.9107.9E472R470-E472 PolarHBondContact O-N 2.98Å
471V56.9Low63.5Low59 Ų5998.9 Ų98.936%0.35855%0.546SS..  trans-64.2104.5163.5-177.50000105.7I465 R469 G473 T474I465-V471 HydrophobicContact CG2-CG2 4.25Å; R469-V471 PolarHBondContact O-N 2.81Å; V471-G473 PolarHBondContact O-N 3.33Å; V471-T474 HydrophobicContact CB-CG2 4.31Å; V471-T474 HydrophobicContact CG1-CG2 4.08Å
472E48.5Very low62.3Low190 Ų190101.7 Ų101.789%0.88855%0.554SS**THydrogen-bonded Turntrans-66.2127.6174.3-69.3177.817500108.6R470R470-E472 PolarHBondContact O-N 2.98Å
473G50.9Low61.4Low75 Ų7595.9 Ų95.977%0.77353%0.531SS*.THydrogen-bonded Turntrans103.723170.800000118V471V471-G473 PolarHBondContact O-N 3.33Å
474T53Low61.1Low53 Ų5394 Ų9433%0.32553%0.528SS..  trans-86.6128.3173.758.90000112.6E442 V471 Y476E442-T474 HydrophobicContact CB-CG2 4.29Å; E442-T474 WeakPolarHBondContact OE2-CG2 3.28Å; V471-T474 HydrophobicContact CB-CG2 4.31Å; V471-T474 HydrophobicContact CG1-CG2 4.08Å; T474-Y476 HydrophobicContact CG2-CD2 4.45Å; T474-Y476 HydrophobicContact CG2-CE2 4.39Å; T474-Y476 PolarHBondContact O-N 2.65Å
475D61.3Low61Low174 Ų17491.9 Ų91.993%0.9350%0.501SS*.  trans-74.519.4-177.7-65.4-39.8000115.4S477D475-S477 PolarHBondContact O-N 2.8Å
476Y65.1Low60.8Low49 Ų4996.6 Ų96.619%0.19252%0.522CS..  trans-75.8128.5-179.8-62.8-69.7000111.3K441 E442 T474K441-Y476 HydrophobicContact CB-CD1 4.42Å; K441-Y476 HydrophobicContact CB-CD2 3.94Å; K441-Y476 HydrophobicContact CB-CE2 4.39Å; K441-Y476 HydrophobicContact CB-CG 3.98Å; K441-Y476 HydrophobicContact CG-CD1 4.44Å; K441-Y476 HydrophobicContact CG-CG 4.33Å; K441-Y476 WeakPolarHBondContact O-CD2 3.02Å; E442-Y476 HydrophobicContact CB-CE2 4.09Å; E442-Y476 HydrophobicContact CG-CE2 3.87Å; T474-Y476 HydrophobicContact CG2-CD2 4.45Å; T474-Y476 HydrophobicContact CG2-CE2 4.39Å; T474-Y476 PolarHBondContact O-N 2.65Å
477S60.5Low61.1Low102 Ų10296.9 Ų96.971%0.71352%0.522SS*.  trans-64.1152.4170.8-168.90000112.2K441 D475K441-S477 PolarHBondContact NZ-O 3.35Å; D475-S477 PolarHBondContact O-N 2.8Å
478S47.2Very low61.8Low86 Ų8692.3 Ų92.360%0.60150%0.496SS*.  trans-18.3143.9-172-172.60000118.4K441 S480K441-S478 PolarHBondContact NZ-O 2.95Å; S478-S480 PolarHBondContact O-N 2.89Å; S478-S480 VanDerWaalsContact O-N 3.1Å
479D51.2Low63Low89 Ų8992.9 Ų92.948%0.47649%0.491SS..  trans-77.520.5-175.9-95.6-21.9000115.7R446 E481R446-D479 IonicContact CZ-OD1 2.72Å; R446-D479 IonicContact NH1-OD1 2.99Å; R446-D479 PolarHBondContact NH2-O 2.84Å; R446-D479 IonicContact NH2-OD1 3.51Å; R446-D479 PolarHBondContact NH2-OD1 3.43Å; D479-E481 PolarHBondContact O-N 3.27Å
480S45.9Very low64.1Low105 Ų10591.9 Ų91.973%0.73449%0.493SS*.  trans-73.415.4-167.566.40000117.1S478S478-S480 PolarHBondContact O-N 2.89Å; S478-S480 VanDerWaalsContact O-N 3.1Å
481E56.1Low65.4Low70 Ų7085 Ų8533%0.32747%0.471SS..  trans-105.986.3172.1-74.1174.6-147.900108.7H390 D479 S483H390-E481 IonicContact CE1-OE1 3.46Å; H390-E481 PolarHBondContact CE1-OE1 3Å; H390-E481 IonicContact CE1-OE2 3.81Å; H390-E481 PolarHBondContact CE1-OE2 2.89Å; H390-E481 IonicContact ND1-OE1 3.81Å; H390-E481 PolarHBondContact ND1-OE1 3.1Å; H390-E481 VanDerWaalsContact ND1-OE1 3.16Å; H390-E481 IonicContact ND1-OE2 3.15Å; H390-E481 PolarHBondContact ND1-OE2 3.39Å; D479-E481 PolarHBondContact O-N 3.27Å; E481-S483 PolarHBondContact O-N 3.21Å
482D63.7Low66.5Low111 Ų11186.5 Ų86.559%0.59447%0.474SS*.  trans-62.5115.2160.6-1723.3000107.4D484 K489D482-D484 WeakPolarHBondContact OD1-CB 3.02Å; D482-D484 VanDerWaalsContact OD1-CG 3.27Å; D482-D484 PolarHBondContact OD1-N 3.08Å; D482-K489 IonicContact OD2-NZ 3.24Å
483S67.8Low68Low21 Ų2187 Ų8715%0.14748%0.476CS..  trans-102.110.7179.162.20000111.5K449 Y450 E481 T485K449-S483 PolarHBondContact NZ-O 3.44Å; K449-S483 VanDerWaalsContact NZ-O 3.12Å; K449-S483 PolarHBondContact NZ-OG 3.27Å; K449-S483 VanDerWaalsContact NZ-OG 3.12Å; Y450-S483 PolarHBondContact OH-OG 3.41Å; Y450-S483 VanDerWaalsContact OH-OG 3.11Å; E481-S483 PolarHBondContact O-N 3.21Å; S483-T485 PolarHBondContact O-N 3.02Å
484D76.2Confident69.5Low43 Ų4385.6 Ų85.623%0.2346%0.462CS..  trans-77.8103.9179.8-65.2-1.3000108.3K449 D482 Y488 K489K449-D484 IonicContact NZ-OD1 2.73Å; K449-D484 PolarHBondContact NZ-OD1 3.04Å; D482-D484 WeakPolarHBondContact OD1-CB 3.02Å; D482-D484 VanDerWaalsContact OD1-CG 3.27Å; D482-D484 PolarHBondContact OD1-N 3.08Å; D484-Y488 HydrophobicContact CB-CD1 4.19Å; D484-K489 HydrophobicContact CB-CD 4.38Å; D484-K489 VanDerWaalsContact CB-CE 3.49Å; D484-K489 HydrophobicContact CB-CG 3.98Å; D484-K489 WeakPolarHBondContact O-CE 3.41Å
485T79.8Confident71Confident22 Ų2284.4 Ų84.414%0.13545%0.453CS..  trans-64.6157.5169.959.70000109.9P399 L400 R401 S483 E487 Y488 K489P399-T485 HydrophobicContact CB-CG2 3.43Å; P399-T485 VanDerWaalsContact CB-CG2 3.43Å; L400-T485 WeakPolarHBondContact O-CG2 3.49Å; L400-T485 PolarHBondContact O-OG1 3.24Å; R401-T485 HydrophobicContact CG-CG2 4.26Å; S483-T485 PolarHBondContact O-N 3.02Å; T485-E487 WeakPolarHBondContact CB-OE2 3.34Å; T485-E487 PolarHBondContact O-N 3.39Å; T485-Y488 PolarHBondContact O-N 3.43Å; T485-Y488 WeakPolarHBondContact OG1-CB 3.48Å; T485-Y488 PolarHBondContact OG1-N 3.22Å; T485-K489 WeakPolarHBondContact O-CG 3.41Å; T485-K489 PolarHBondContact O-N 2.9Å
486E79.8Confident72.3Confident120 Ų12078 Ų7856%0.56142%0.419SS*.Hα-helixtrans-62.1-35.2176.7-66.4-57.3125.100111.3K489 Q490E486-K489 PolarHBondContact O-N 3.31Å; E486-K489 IonicContact OE1-NZ 3.36Å; E486-K489 PolarHBondContact OE1-NZ 2.9Å; E486-Q490 VanDerWaalsContact O-CG 3.3Å; E486-Q490 WeakPolarHBondContact O-CG 3.34Å; E486-Q490 PolarHBondContact O-N 3.45Å
487E82Confident73.4Confident87 Ų8779.5 Ų79.541%0.40743%0.434SS..Hα-helixtrans-64.5-42.2174.5-59.588.2161.900112.1T485 Q490 Q491T485-E487 WeakPolarHBondContact CB-OE2 3.34Å; T485-E487 PolarHBondContact O-N 3.39Å; E487-Q490 PolarHBondContact O-N 2.88Å; E487-Q491 PolarHBondContact O-N 3.39Å
488Y82.6Confident74.8Confident20 Ų2078 Ų788%0.07842%0.421CS..Hα-helixtrans-65.4-44.4176.7179.8-94.1000111.4L400 V403 K449 D484 T485 Q490 Q491 Q492 I495L400-Y488 HydrophobicContact CB-CD2 3.96Å; L400-Y488 HydrophobicContact CD1-CD2 4.07Å; L400-Y488 HydrophobicContact CD1-CE2 3.85Å; V403-Y488 HydrophobicContact CG1-CD2 3.99Å; V403-Y488 HydrophobicContact CG1-CE2 4.27Å; K449-Y488 HydrophobicContact CD-CE1 4.25Å; K449-Y488 HydrophobicContact CD-CE2 4.42Å; K449-Y488 HydrophobicContact CG-CE2 4.14Å; D484-Y488 HydrophobicContact CB-CD1 4.19Å; T485-Y488 PolarHBondContact O-N 3.43Å; T485-Y488 WeakPolarHBondContact OG1-CB 3.48Å; T485-Y488 PolarHBondContact OG1-N 3.22Å; Y488-Q490 VanDerWaalsContact C-N 3.25Å; Y488-Q490 PolarHBondContact O-N 3.44Å; Y488-Q491 CarbonylContact O-C 3.57Å; Y488-Q491 PolarHBondContact O-N 3.38Å; Y488-Q492 HydrophobicContact CE1-CB 4.26Å; Y488-Q492 HydrophobicContact CE1-CG 3.93Å; Y488-Q492 WeakPolarHBondContact O-CA 2.94Å; Y488-Q492 WeakPolarHBondContact O-CB 3.35Å; Y488-Q492 PolarHBondContact O-N 2.93Å; Y488-I495 HydrophobicContact CD2-CD1 3.93Å; Y488-I495 HydrophobicContact CE2-CD1 3.35Å
489K83.3Confident76.7Confident80 Ų8076.2 Ų76.235%0.34840%0.404SS..Hα-helixtrans-58.7-36.8178.6-72.4175.8-174.2166.50112.3D482 D484 T485 E486 Q491D482-K489 IonicContact OD2-NZ 3.24Å; D484-K489 HydrophobicContact CB-CD 4.38Å; D484-K489 VanDerWaalsContact CB-CE 3.49Å; D484-K489 HydrophobicContact CB-CG 3.98Å; D484-K489 WeakPolarHBondContact O-CE 3.41Å; T485-K489 WeakPolarHBondContact O-CG 3.41Å; T485-K489 PolarHBondContact O-N 2.9Å; E486-K489 PolarHBondContact O-N 3.31Å; E486-K489 IonicContact OE1-NZ 3.36Å; E486-K489 PolarHBondContact OE1-NZ 2.9Å; K489-Q491 VanDerWaalsContact C-N 3.3Å; K489-Q491 PolarHBondContact O-N 3.11Å
490Q81.2Confident78.4Confident154 Ų15472.4 Ų72.472%0.7239%0.386SS*.Hα-helixtrans-65.9-31.8177-70.6169.823.100113.1E486 E487 Y488E486-Q490 VanDerWaalsContact O-CG 3.3Å; E486-Q490 WeakPolarHBondContact O-CG 3.34Å; E486-Q490 PolarHBondContact O-N 3.45Å; E487-Q490 PolarHBondContact O-N 2.88Å; Y488-Q490 VanDerWaalsContact C-N 3.25Å; Y488-Q490 PolarHBondContact O-N 3.44Å
491Q80.7Confident80.5Confident76 Ų7667.8 Ų67.836%0.35535%0.354SS..Hα-helixtrans-101.3-12.8-176.7-61.3-175.39.700113.2V403 E487 Y488 K489 Q493 G494 I495 V502V403-Q491 HydrophobicContact CG2-CB 3.94Å; E487-Q491 PolarHBondContact O-N 3.39Å; Y488-Q491 CarbonylContact O-C 3.57Å; Y488-Q491 PolarHBondContact O-N 3.38Å; K489-Q491 VanDerWaalsContact C-N 3.3Å; K489-Q491 PolarHBondContact O-N 3.11Å; Q491-Q493 VanDerWaalsContact C-N 3.25Å; Q491-Q493 PolarHBondContact O-N 3.49Å; Q491-Q493 VanDerWaalsContact O-N 3.09Å; Q491-G494 WeakPolarHBondContact O-CA 3.17Å; Q491-G494 PolarHBondContact O-N 2.94Å; Q491-I495 WeakPolarHBondContact O-CG1 3.43Å; Q491-I495 PolarHBondContact O-N 3.06Å; Q491-V502 HydrophobicContact CB-CG2 4.22Å
492Q80.1Confident82Confident90 Ų9066.6 Ų66.642%0.42135%0.351SS..G310 helixtrans-50.8-39.9-171.6-173.5176.317.900113.9Y488 G494 I495Y488-Q492 HydrophobicContact CE1-CB 4.26Å; Y488-Q492 HydrophobicContact CE1-CG 3.93Å; Y488-Q492 WeakPolarHBondContact O-CA 2.94Å; Y488-Q492 WeakPolarHBondContact O-CB 3.35Å; Y488-Q492 PolarHBondContact O-N 2.93Å; Q492-G494 VanDerWaalsContact C-N 3.26Å; Q492-G494 PolarHBondContact O-N 3.03Å; Q492-I495 PolarHBondContact O-N 2.81Å
493Q79.8Confident82.6Confident200 Ų20066.2 Ų66.294%0.93535%0.346SS*.G310 helixtrans-69.2-23.2179.5-65-175.6-3.100113.4Q491Q491-Q493 VanDerWaalsContact C-N 3.25Å; Q491-Q493 PolarHBondContact O-N 3.49Å; Q491-Q493 VanDerWaalsContact O-N 3.09Å
494G82.8Confident82.8Confident45 Ų4570.8 Ų70.846%0.46438%0.375SS..G310 helixtrans-96.4-2.2179.600000114.7Q491 Q492Q491-G494 WeakPolarHBondContact O-CA 3.17Å; Q491-G494 PolarHBondContact O-N 2.94Å; Q492-G494 VanDerWaalsContact C-N 3.26Å; Q492-G494 PolarHBondContact O-N 3.03Å
495I85Confident82.4Confident29 Ų2980.9 Ų80.915%0.14941%0.41CS..EExtended strand (participates in β ladder)trans-78.6125.6-179.4-61.5173.3000109.3V403 Y488 Q491 Q492 P497 V502V403-I495 HydrophobicContact CB-CD1 4.26Å; V403-I495 HydrophobicContact CG1-CD1 4.24Å; V403-I495 HydrophobicContact CG2-CD1 3.87Å; V403-I495 HydrophobicContact CG2-CG1 4.03Å; Y488-I495 HydrophobicContact CD2-CD1 3.93Å; Y488-I495 HydrophobicContact CE2-CD1 3.35Å; Q491-I495 WeakPolarHBondContact O-CG1 3.43Å; Q491-I495 PolarHBondContact O-N 3.06Å; Q492-I495 PolarHBondContact O-N 2.81Å; I495-P497 VanDerWaalsContact O-CD 3.31Å; I495-P497 WeakPolarHBondContact O-CD 3.5Å; I495-V502 HydrophobicContact CG1-CG2 3.96Å
496N88.6Confident81.4Confident40 Ų4084.5 Ų84.521%0.21444%0.436CS..EExtended strand (participates in β ladder)trans-75.2115.9167-178.8-24.2000108.6V498 L499 G500 C501 E503N496-V498 PolarHBondContact O-N 3.49Å; N496-V498 WeakPolarHBondContact OD1-CA 3.42Å; N496-V498 VanDerWaalsContact OD1-CB 3.31Å; N496-V498 WeakPolarHBondContact OD1-CB 3.31Å; N496-V498 PolarHBondContact OD1-N 2.76Å; N496-L499 HydrophobicContact CB-CB 4.23Å; N496-L499 HydrophobicContact CB-CD1 4.34Å; N496-L499 HydrophobicContact CB-CG 4.32Å; N496-L499 PolarHBondContact O-N 3.09Å; N496-G500 PolarHBondContact O-N 3.02Å; N496-C501 PolarHBondContact N-O 3.48Å; N496-E503 HydrophobicContact CB-CG 4.15Å; N496-E503 PolarHBondContact ND2-OE1 3.31Å
497P87.6Confident80.5Confident79 Ų7987.1 Ų87.151%0.51345%0.446SS..THydrogen-bonded Turntrans-64.2-21.9-178.527-35.5000113.4I448 Y453 I495I448-P497 HydrophobicContact CG2-CB 4.19Å; I448-P497 WeakPolarHBondContact CG2-O 3.24Å; Y453-P497 WeakPolarHBondContact CB-O 3.49Å; Y453-P497 PolarHBondContact N-O 3.23Å; I495-P497 VanDerWaalsContact O-CD 3.31Å; I495-P497 WeakPolarHBondContact O-CD 3.5Å
498V89.1Confident79.6Confident72 Ų7285.1 Ų85.144%0.43644%0.441SS..THydrogen-bonded Turntrans-74.2-45.8175.7-176.10000111.4Y453 G454 N496Y453-V498 PolarHBondContact N-O 2.64Å; G454-V498 PolarHBondContact N-O 2.97Å; N496-V498 PolarHBondContact O-N 3.49Å; N496-V498 WeakPolarHBondContact OD1-CA 3.42Å; N496-V498 VanDerWaalsContact OD1-CB 3.31Å; N496-V498 WeakPolarHBondContact OD1-CB 3.31Å; N496-V498 PolarHBondContact OD1-N 2.76Å
499L87.6Confident78.7Confident47 Ų4791.9 Ų91.925%0.24647%0.473CS..THydrogen-bonded Turntrans-82.8-25.4-179-59.8178.8000113P407 N496 C501 E503P407-L499 WeakPolarHBondContact CD-O 3.48Å; N496-L499 HydrophobicContact CB-CB 4.23Å; N496-L499 HydrophobicContact CB-CD1 4.34Å; N496-L499 HydrophobicContact CB-CG 4.32Å; N496-L499 PolarHBondContact O-N 3.09Å; L499-C501 VanDerWaalsContact C-N 3.25Å; L499-C501 PolarHBondContact O-N 3.25Å; L499-E503 HydrophobicContact CD1-CG 3.83Å; L499-E503 WeakPolarHBondContact CD1-OE1 3.46Å
500G87.6Confident78Confident9 Ų992.5 Ų92.59%0.09348%0.48CS..THydrogen-bonded Turntrans72.215.3-174.800000114.2N496N496-G500 PolarHBondContact O-N 3.02Å
501C89.4Confident77.5Confident9 Ų990.4 Ų90.46%0.06147%0.473CS..EExtended strand (participates in β ladder)trans-140.8165.617769.70000111V403 Q405 N496 L499V403-C501 CarbonylContact O-C 3.39Å; V403-C501 VanDerWaalsContact O-CA 3.25Å; V403-C501 WeakPolarHBondContact O-CA 3.24Å; V403-C501 VanDerWaalsContact O-CB 3.31Å; V403-C501 WeakPolarHBondContact O-CB 3.45Å; Q405-C501 VanDerWaalsContact O-CB 3.28Å; Q405-C501 WeakPolarHBondContact O-CB 3.47Å; N496-C501 PolarHBondContact N-O 3.48Å; L499-C501 VanDerWaalsContact C-N 3.25Å; L499-C501 PolarHBondContact O-N 3.25Å
502V86.5Confident77.2Confident44 Ų4494 Ų9427%0.26750%0.495SS..EExtended strand (participates in β ladder)trans-70.2130170.9177.20000108.7V403 Q491 I495V403-V502 HydrophobicContact CG2-CG2 3.93Å; V403-V502 PolarHBondContact O-N 2.89Å; Q491-V502 HydrophobicContact CB-CG2 4.22Å; I495-V502 HydrophobicContact CG1-CG2 3.96Å
503E77.9Confident77.2Confident104 Ų10491.8 Ų91.849%0.48649%0.486SS..PPolyproline II helixtrans-71.7129.1172.3-77.4-177.4-177.500109.6N496 L499 R505N496-E503 HydrophobicContact CB-CG 4.15Å; N496-E503 PolarHBondContact ND2-OE1 3.31Å; L499-E503 HydrophobicContact CD1-CG 3.83Å; L499-E503 WeakPolarHBondContact CD1-OE1 3.46Å; E503-R505 PolarHBondContact O-N 3.34Å
504P71.9Confident77.5Confident116 Ų11685.5 Ų85.575%0.75346%0.464SS*.PPolyproline II helixtrans-58.1128.9167.921.3-25.9000107.3S506P504-S506 VanDerWaalsContact C-N 3.33Å; P504-S506 PolarHBondContact O-N 3.19Å
505R66.3Low77.6Confident255 Ų25590.9 Ų90.996%0.96248%0.477SS*.  trans-54.399175.3-72.1-178.7178.4168.7-1108.1E503 K507E503-R505 PolarHBondContact O-N 3.34Å; R505-K507 PolarHBondContact O-N 3.3Å
506S60.7Low77.6Confident99 Ų9997.1 Ų97.169%0.69251%0.505SS*.PPolyproline II helixtrans-65.4134.5171.868.10000106.6P504 S508P504-S506 VanDerWaalsContact C-N 3.33Å; P504-S506 PolarHBondContact O-N 3.19Å; S506-S508 PolarHBondContact O-N 3.02Å; S506-S508 VanDerWaalsContact O-N 3.15Å
507K59.7Low77.4Confident175 Ų17598.8 Ų98.876%0.76151%0.512SS*.PPolyproline II helixtrans-50.1127.4160.1-69.2-179.2177-177.80106.5R505 H509R505-K507 PolarHBondContact O-N 3.3Å; K507-H509 PolarHBondContact O-N 3.42Å
508S62.6Low77.1Confident44 Ų4498.9 Ų98.931%0.30850%0.504SS..PPolyproline II helixtrans-61.7129178.9-177.60000105.9S506 L510 D511S506-S508 PolarHBondContact O-N 3.02Å; S506-S508 VanDerWaalsContact O-N 3.15Å; S508-L510 PolarHBondContact O-N 3.09Å; S508-L510 VanDerWaalsContact OG-CB 3.28Å; S508-L510 WeakPolarHBondContact OG-CB 3.17Å; S508-L510 WeakPolarHBondContact OG-CG 3.47Å; S508-L510 PolarHBondContact OG-N 2.79Å; S508-D511 WeakPolarHBondContact CB-OD2 3.31Å; S508-D511 PolarHBondContact N-OD2 3.03Å; S508-D511 VanDerWaalsContact O-CB 3.3Å; S508-D511 WeakPolarHBondContact O-CB 3.49Å; S508-D511 PolarHBondContact O-N 3.17Å
509H64.5Low76.9Confident163 Ų163102.3 Ų102.376%0.75552%0.516SS*.G310 helixtrans-57.2-18.6171.8-77.6-135.3000110.8K507 D511 I513K507-H509 PolarHBondContact O-N 3.42Å; H509-D511 VanDerWaalsContact C-N 3.3Å; H509-I513 WeakPolarHBondContact O-CD1 3.17Å; H509-I513 WeakPolarHBondContact O-CG1 3.44Å
510L68.5Low76.8Confident92 Ų92106.5 Ų106.548%0.48253%0.529SS..G310 helixtrans-74.9-12.1173.5-51.6174.8000113.8S508 D512 I513 K518S508-L510 PolarHBondContact O-N 3.09Å; S508-L510 VanDerWaalsContact OG-CB 3.28Å; S508-L510 WeakPolarHBondContact OG-CB 3.17Å; S508-L510 WeakPolarHBondContact OG-CG 3.47Å; S508-L510 PolarHBondContact OG-N 2.79Å; L510-D512 VanDerWaalsContact C-N 3.32Å; L510-I513 HydrophobicContact CD2-CD1 4.3Å; L510-K518 WeakPolarHBondContact O-CE 3.27Å; L510-K518 PolarHBondContact O-NZ 2.71Å
511D70.6Confident76.7Confident110 Ų110110.1 Ų110.159%0.58854%0.544SS*.G310 helixtrans-72.3-29.4-179.5-65.3-25.3000111.3S508 H509S508-D511 WeakPolarHBondContact CB-OD2 3.31Å; S508-D511 PolarHBondContact N-OD2 3.03Å; S508-D511 VanDerWaalsContact O-CB 3.3Å; S508-D511 WeakPolarHBondContact O-CB 3.49Å; S508-D511 PolarHBondContact O-N 3.17Å; H509-D511 VanDerWaalsContact C-N 3.3Å
512D74.7Confident76.5Confident152 Ų152112.2 Ų112.281%0.81356%0.561SS**SBendtrans-92.2-2.2-179.6-64.4-33.1000113.3L510L510-D512 VanDerWaalsContact C-N 3.32Å
513I80.5Confident76.4Confident44 Ų44115.4 Ų115.423%0.22658%0.575CS.*SBendtrans-99.9131.3-177.1-58.1176.6000109.6H509 L510 Q517 K518H509-I513 WeakPolarHBondContact O-CD1 3.17Å; H509-I513 WeakPolarHBondContact O-CG1 3.44Å; L510-I513 HydrophobicContact CD2-CD1 4.3Å; I513-Q517 HydrophobicContact CG2-CB 3.52Å; I513-Q517 HydrophobicContact CG2-CG 3.45Å; I513-Q517 VanDerWaalsContact CG2-CG 3.45Å; I513-K518 HydrophobicContact CB-CG 4.32Å; I513-K518 HydrophobicContact CG2-CG 3.84Å; I513-K518 VanDerWaalsContact O-CE 3.29Å; I513-K518 WeakPolarHBondContact O-CE 3.26Å
514S84.8Confident76.9Confident68 Ų68114.6 Ų114.648%0.47657%0.571SS.*  trans-64154.1175.167.40000111.8E516 Q517 K518S514-E516 VanDerWaalsContact C-N 3.27Å; S514-E516 PolarHBondContact O-N 2.82Å; S514-Q517 PolarHBondContact O-N 2.98Å; S514-Q517 VanDerWaalsContact O-N 3.11Å; S514-Q517 VanDerWaalsContact OG-CB 3.28Å; S514-Q517 WeakPolarHBondContact OG-CB 3.37Å; S514-Q517 PolarHBondContact OG-N 3.46Å; S514-K518 WeakPolarHBondContact O-CG 3.35Å; S514-K518 PolarHBondContact O-N 3.07Å
515E84.9Confident77.5Confident158 Ų158114 Ų11474%0.73856%0.561SS**Hα-helixtrans-57.7-41.1175.8-74.2-169.4152.200112.1Q517 K518 E519E515-Q517 VanDerWaalsContact C-N 3.29Å; E515-Q517 PolarHBondContact O-N 3.39Å; E515-K518 WeakPolarHBondContact O-CB 3.43Å; E515-K518 PolarHBondContact O-N 3.39Å; E515-K518 VanDerWaalsContact O-N 3.15Å; E515-E519 PolarHBondContact O-N 2.82Å
516E85.3Confident78.4Confident159 Ų159103.7 Ų103.774%0.74353%0.526SS*.Hα-helixtrans-58.6-41.2175.4-65.5-178172.700112S514 E519 Y520S514-E516 VanDerWaalsContact C-N 3.27Å; S514-E516 PolarHBondContact O-N 2.82Å; E516-E519 PolarHBondContact O-N 2.88Å; E516-Y520 WeakPolarHBondContact O-CB 3.43Å; E516-Y520 PolarHBondContact O-N 3.47Å
517Q84.3Confident79.6Confident76 Ų76103 Ų10336%0.35552%0.515SS..Hα-helixtrans-71.1-35.4178.2-177.165.62300111.5I513 S514 E515 Y520 E521I513-Q517 HydrophobicContact CG2-CB 3.52Å; I513-Q517 HydrophobicContact CG2-CG 3.45Å; I513-Q517 VanDerWaalsContact CG2-CG 3.45Å; S514-Q517 PolarHBondContact O-N 2.98Å; S514-Q517 VanDerWaalsContact O-N 3.11Å; S514-Q517 VanDerWaalsContact OG-CB 3.28Å; S514-Q517 WeakPolarHBondContact OG-CB 3.37Å; S514-Q517 PolarHBondContact OG-N 3.46Å; E515-Q517 VanDerWaalsContact C-N 3.29Å; E515-Q517 PolarHBondContact O-N 3.39Å; Q517-Y520 PolarHBondContact O-N 2.79Å; Q517-E521 HydrophobicContact CG-CG 4.49Å; Q517-E521 PolarHBondContact NE2-OE1 2.83Å; Q517-E521 WeakPolarHBondContact O-CB 3.38Å; Q517-E521 WeakPolarHBondContact O-CG 3.42Å; Q517-E521 PolarHBondContact O-N 3.31Å
518K82.9Confident80.9Confident81 Ų8199 Ų9935%0.35250%0.501SS..Hα-helixtrans-61.4-45.4172.3-69.1174.8-173.61740111.5L510 I513 S514 E515 A522L510-K518 WeakPolarHBondContact O-CE 3.27Å; L510-K518 PolarHBondContact O-NZ 2.71Å; I513-K518 HydrophobicContact CB-CG 4.32Å; I513-K518 HydrophobicContact CG2-CG 3.84Å; I513-K518 VanDerWaalsContact O-CE 3.29Å; I513-K518 WeakPolarHBondContact O-CE 3.26Å; S514-K518 WeakPolarHBondContact O-CG 3.35Å; S514-K518 PolarHBondContact O-N 3.07Å; E515-K518 WeakPolarHBondContact O-CB 3.43Å; E515-K518 PolarHBondContact O-N 3.39Å; E515-K518 VanDerWaalsContact O-N 3.15Å; K518-A522 WeakPolarHBondContact O-CB 3.27Å; K518-A522 PolarHBondContact O-N 3.18Å
519E84.2Confident81.9Confident144 Ų14499.2 Ų99.267%0.67350%0.498SS*.Hα-helixtrans-63.8-42.2176.9-71.6-174.5172.300111.5E515 E516 A522 M523E515-E519 PolarHBondContact O-N 2.82Å; E516-E519 PolarHBondContact O-N 2.88Å; E519-A522 PolarHBondContact O-N 3.48Å; E519-M523 WeakPolarHBondContact O-CB 3.24Å; E519-M523 PolarHBondContact O-N 3.02Å
520Y86Confident82.7Confident135 Ų13592.5 Ų92.553%0.52947%0.467SS..Hα-helixtrans-62.4-47.8176.8-178.8-101000112.4E516 Q517 M523 Q524E516-Y520 WeakPolarHBondContact O-CB 3.43Å; E516-Y520 PolarHBondContact O-N 3.47Å; Q517-Y520 PolarHBondContact O-N 2.79Å; Y520-M523 PolarHBondContact O-N 3.44Å; Y520-Q524 HydrophobicContact CD1-CG 4.49Å; Y520-Q524 HydrophobicContact CE1-CG 4.13Å; Y520-Q524 WeakPolarHBondContact O-CG 3.38Å; Y520-Q524 PolarHBondContact O-N 3.15Å; Y520-Q524 PolarHBondContact OH-NE2 3.06Å
521E85.4Confident83.5Confident85 Ų8594.4 Ų94.440%0.39747%0.474SS..Hα-helixtrans-66.6-38.9177.2-74.9180-16400112.2Q517 M523 Q524 L525Q517-E521 HydrophobicContact CG-CG 4.49Å; Q517-E521 PolarHBondContact NE2-OE1 2.83Å; Q517-E521 WeakPolarHBondContact O-CB 3.38Å; Q517-E521 WeakPolarHBondContact O-CG 3.42Å; Q517-E521 PolarHBondContact O-N 3.31Å; E521-M523 VanDerWaalsContact C-N 3.31Å; E521-M523 PolarHBondContact O-N 3.44Å; E521-Q524 PolarHBondContact O-N 3.37Å; E521-L525 WeakPolarHBondContact O-CB 3.41Å; E521-L525 PolarHBondContact O-N 3.16Å
522A84.4Confident84.2Confident52 Ų5292.4 Ų92.443%0.4346%0.463SS..Hα-helixtrans-60.9-42.2173.300000111.1K518 E519 L525 V526K518-A522 WeakPolarHBondContact O-CB 3.27Å; K518-A522 PolarHBondContact O-N 3.18Å; E519-A522 PolarHBondContact O-N 3.48Å; A522-L525 PolarHBondContact O-N 2.86Å; A522-V526 VanDerWaalsContact O-CG2 3.31Å; A522-V526 WeakPolarHBondContact O-CG2 3.38Å; A522-V526 PolarHBondContact O-N 3.09Å
523M85.4Confident84.6Confident111 Ų11188.4 Ų88.455%0.54744%0.436SS..Hα-helixtrans-66.9-40.9176.7-168.559.362.500112E519 Y520 E521 L525 V526 N527E519-M523 WeakPolarHBondContact O-CB 3.24Å; E519-M523 PolarHBondContact O-N 3.02Å; Y520-M523 PolarHBondContact O-N 3.44Å; E521-M523 VanDerWaalsContact C-N 3.31Å; E521-M523 PolarHBondContact O-N 3.44Å; M523-L525 VanDerWaalsContact C-N 3.33Å; M523-L525 PolarHBondContact O-N 3.39Å; M523-V526 PolarHBondContact O-N 3.44Å; M523-N527 WeakPolarHBondContact O-CB 3.4Å; M523-N527 VanDerWaalsContact O-CG 3.28Å; M523-N527 PolarHBondContact O-N 2.58Å; M523-N527 PolarHBondContact O-ND2 3.12Å; M523-N527 VanDerWaalsContact O-ND2 3.07Å
524Q87.9Confident84.7Confident88 Ų8893 Ų9341%0.41146%0.457SS..Hα-helixtrans-59.6-44.9172-74.6-157.26.500111.5Y520 E521 N527 L528Y520-Q524 HydrophobicContact CD1-CG 4.49Å; Y520-Q524 HydrophobicContact CE1-CG 4.13Å; Y520-Q524 WeakPolarHBondContact O-CG 3.38Å; Y520-Q524 PolarHBondContact O-N 3.15Å; Y520-Q524 PolarHBondContact OH-NE2 3.06Å; E521-Q524 PolarHBondContact O-N 3.37Å; Q524-N527 PolarHBondContact O-N 2.8Å; Q524-L528 WeakPolarHBondContact O-CD1 3.48Å; Q524-L528 PolarHBondContact O-N 3.12Å
525L85Confident84.6Confident103 Ų10392.3 Ų92.354%0.53946%0.46SS..Hα-helixtrans-62-45.2179.2-177.564000111.7E521 A522 M523 N527 L528 I529E521-L525 WeakPolarHBondContact O-CB 3.41Å; E521-L525 PolarHBondContact O-N 3.16Å; A522-L525 PolarHBondContact O-N 2.86Å; M523-L525 VanDerWaalsContact C-N 3.33Å; M523-L525 PolarHBondContact O-N 3.39Å; L525-N527 VanDerWaalsContact C-N 3.3Å; L525-N527 PolarHBondContact O-N 2.62Å; L525-L528 PolarHBondContact O-N 3.17Å; L525-I529 HydrophobicContact CD1-CD1 4.11Å; L525-I529 HydrophobicContact CD1-CG1 4.31Å; L525-I529 HydrophobicContact CG-CD1 3.89Å; L525-I529 HydrophobicContact CG-CG1 4.49Å; L525-I529 VanDerWaalsContact O-CG1 3.28Å; L525-I529 WeakPolarHBondContact O-CG1 3.49Å; L525-I529 PolarHBondContact O-N 2.84Å
526V84.3Confident84.4Confident39 Ų3987.1 Ų87.124%0.23645%0.449CS..Hα-helixtrans-58.1-44.9175.1169.80000110.6A522 M523 I529 E530 I555A522-V526 VanDerWaalsContact O-CG2 3.31Å; A522-V526 WeakPolarHBondContact O-CG2 3.38Å; A522-V526 PolarHBondContact O-N 3.09Å; M523-V526 PolarHBondContact O-N 3.44Å; V526-I529 PolarHBondContact O-N 3.16Å; V526-E530 WeakPolarHBondContact O-CB 3.39Å; V526-E530 PolarHBondContact O-N 3.05Å; V526-I555 HydrophobicContact CG1-CD1 4.32Å; V526-I555 HydrophobicContact CG1-CG2 3.85Å
527N86.2Confident84.1Confident85 Ų8586 Ų8646%0.45545%0.447SS..Hα-helixtrans-64.5-41.3177.5-72.5-35.4000112.4M523 Q524 L525 E530 Q531M523-N527 WeakPolarHBondContact O-CB 3.4Å; M523-N527 VanDerWaalsContact O-CG 3.28Å; M523-N527 PolarHBondContact O-N 2.58Å; M523-N527 PolarHBondContact O-ND2 3.12Å; M523-N527 VanDerWaalsContact O-ND2 3.07Å; Q524-N527 PolarHBondContact O-N 2.8Å; L525-N527 VanDerWaalsContact C-N 3.3Å; L525-N527 PolarHBondContact O-N 2.62Å; N527-E530 PolarHBondContact O-N 2.97Å; N527-Q531 WeakPolarHBondContact O-CB 3.11Å; N527-Q531 VanDerWaalsContact O-CG 3.26Å; N527-Q531 WeakPolarHBondContact O-CG 3.34Å; N527-Q531 PolarHBondContact O-N 3.49Å
528L86Confident83.8Confident90 Ų9085.5 Ų85.547%0.47145%0.449SS..Hα-helixtrans-63.8-44.7176.2-97.186.2000112Q524 L525 E530 Q531 L532Q524-L528 WeakPolarHBondContact O-CD1 3.48Å; Q524-L528 PolarHBondContact O-N 3.12Å; L525-L528 PolarHBondContact O-N 3.17Å; L528-E530 VanDerWaalsContact C-N 3.32Å; L528-E530 PolarHBondContact O-N 3.12Å; L528-Q531 WeakPolarHBondContact O-CB 3.39Å; L528-Q531 PolarHBondContact O-N 3.21Å; L528-L532 WeakPolarHBondContact O-CG 3.12Å; L528-L532 PolarHBondContact O-N 3.12Å
529I83.3Confident83.7Confident48 Ų4889.2 Ų89.225%0.24647%0.465CS..Hα-helixtrans-66-39.2179-62.3165000109.9L525 V526 L532 R533 P540 I555L525-I529 HydrophobicContact CD1-CD1 4.11Å; L525-I529 HydrophobicContact CD1-CG1 4.31Å; L525-I529 HydrophobicContact CG-CD1 3.89Å; L525-I529 HydrophobicContact CG-CG1 4.49Å; L525-I529 VanDerWaalsContact O-CG1 3.28Å; L525-I529 WeakPolarHBondContact O-CG1 3.49Å; L525-I529 PolarHBondContact O-N 2.84Å; V526-I529 PolarHBondContact O-N 3.16Å; I529-L532 PolarHBondContact O-N 3.12Å; I529-R533 WeakPolarHBondContact O-CB 3.31Å; I529-R533 PolarHBondContact O-N 2.89Å; I529-P540 HydrophobicContact CG2-CG 3.64Å; I529-I555 HydrophobicContact CB-CD1 3.31Å; I529-I555 HydrophobicContact CD1-CD1 4.21Å; I529-I555 HydrophobicContact CG1-CD1 4.36Å; I529-I555 HydrophobicContact CG2-CD1 3.24Å; I529-I555 HydrophobicContact CG2-CG1 4.27Å
530E83.1Confident83.4Confident23 Ų2383.3 Ų83.311%0.10744%0.439CS..Hα-helixtrans-64.6-39.3174.8-176.155.9-154.600111.7V526 N527 L528 R533 Q534 I555V526-E530 WeakPolarHBondContact O-CB 3.39Å; V526-E530 PolarHBondContact O-N 3.05Å; N527-E530 PolarHBondContact O-N 2.97Å; L528-E530 VanDerWaalsContact C-N 3.32Å; L528-E530 PolarHBondContact O-N 3.12Å; E530-R533 PolarHBondContact O-N 3.47Å; E530-R533 IonicContact OE1-CZ 3.62Å; E530-R533 IonicContact OE1-NE 4Å; E530-R533 PolarHBondContact OE1-NE 2.91Å; E530-R533 IonicContact OE1-NH2 3.49Å; E530-R533 PolarHBondContact OE1-NH2 3.32Å; E530-R533 IonicContact OE2-CZ 3.69Å; E530-R533 IonicContact OE2-NE 3.22Å; E530-R533 PolarHBondContact OE2-NE 3.03Å; E530-R533 IonicContact OE2-NH2 2.64Å; E530-Q534 WeakPolarHBondContact O-CB 3.31Å; E530-Q534 VanDerWaalsContact O-CG 3.3Å; E530-Q534 WeakPolarHBondContact O-CG 3.46Å; E530-Q534 PolarHBondContact O-N 2.73Å; E530-Q534 WeakPolarHBondContact OE1-CG 3.25Å; E530-Q534 PolarHBondContact OE1-NE2 2.96Å; E530-I555 HydrophobicContact CB-CG2 4.35Å
531Q84.7Confident83.1Confident132 Ų13279.1 Ų79.162%0.61743%0.432SS*.Hα-helixtrans-61.4-44.4172.4-75.8174.5-5.400112.3N527 L528 R533 Q534 G535N527-Q531 WeakPolarHBondContact O-CB 3.11Å; N527-Q531 VanDerWaalsContact O-CG 3.26Å; N527-Q531 WeakPolarHBondContact O-CG 3.34Å; N527-Q531 PolarHBondContact O-N 3.49Å; L528-Q531 WeakPolarHBondContact O-CB 3.39Å; L528-Q531 PolarHBondContact O-N 3.21Å; Q531-R533 VanDerWaalsContact C-N 3.32Å; Q531-R533 PolarHBondContact O-N 3.3Å; Q531-Q534 PolarHBondContact O-N 3.07Å; Q531-G535 PolarHBondContact O-N 3.18Å
532L84.6Confident82.6Confident68 Ų6877.7 Ų77.736%0.35643%0.426SS..Hα-helixtrans-65.1-35.9176.9-71.1171.4000112.2L528 I529 G536 I537 V538L528-L532 WeakPolarHBondContact O-CG 3.12Å; L528-L532 PolarHBondContact O-N 3.12Å; I529-L532 PolarHBondContact O-N 3.12Å; L532-G536 PolarHBondContact O-N 2.98Å; L532-I537 HydrophobicContact CD2-CB 4.36Å; L532-I537 HydrophobicContact CD2-CD1 4.36Å; L532-I537 HydrophobicContact CD2-CG2 4.41Å; L532-I537 PolarHBondContact O-N 3.03Å; L532-I537 VanDerWaalsContact O-N 3.1Å; L532-V538 HydrophobicContact CB-CB 4.05Å; L532-V538 HydrophobicContact CB-CG2 4.08Å; L532-V538 HydrophobicContact CD1-CG2 4.13Å; L532-V538 HydrophobicContact CG-CG2 4.5Å; L532-V538 PolarHBondContact O-N 3.49Å
533R82.8Confident82.1Confident68 Ų6881.1 Ų81.126%0.25744%0.436SS..Hα-helixtrans-67.2-48.6175.2-168.9-169.776.888.74111.8I529 E530 Q531 G535 G536 V538 P540 E553I529-R533 WeakPolarHBondContact O-CB 3.31Å; I529-R533 PolarHBondContact O-N 2.89Å; E530-R533 PolarHBondContact O-N 3.47Å; E530-R533 IonicContact OE1-CZ 3.62Å; E530-R533 IonicContact OE1-NE 4Å; E530-R533 PolarHBondContact OE1-NE 2.91Å; E530-R533 IonicContact OE1-NH2 3.49Å; E530-R533 PolarHBondContact OE1-NH2 3.32Å; E530-R533 IonicContact OE2-CZ 3.69Å; E530-R533 IonicContact OE2-NE 3.22Å; E530-R533 PolarHBondContact OE2-NE 3.03Å; E530-R533 IonicContact OE2-NH2 2.64Å; Q531-R533 VanDerWaalsContact C-N 3.32Å; Q531-R533 PolarHBondContact O-N 3.3Å; R533-G535 VanDerWaalsContact C-N 3.29Å; R533-G535 PolarHBondContact O-N 2.79Å; R533-G536 PolarHBondContact O-N 3.21Å; R533-V538 VanDerWaalsContact CA-O 3.31Å; R533-V538 WeakPolarHBondContact CA-O 3.45Å; R533-P540 HydrophobicContact CB-CG 4.49Å; R533-P540 HydrophobicContact CG-CG 4.5Å; R533-E553 VanDerWaalsContact CZ-O 3.28Å; R533-E553 PolarHBondContact NH1-O 3.02Å
534Q82.4Confident81.5Confident140 Ų14077.5 Ų77.565%0.65442%0.419SS*.Hα-helixtrans-62.6-36.8176-72.2177.912.300111.9E530 Q531 G536E530-Q534 WeakPolarHBondContact O-CB 3.31Å; E530-Q534 VanDerWaalsContact O-CG 3.3Å; E530-Q534 WeakPolarHBondContact O-CG 3.46Å; E530-Q534 PolarHBondContact O-N 2.73Å; E530-Q534 WeakPolarHBondContact OE1-CG 3.25Å; E530-Q534 PolarHBondContact OE1-NE2 2.96Å; Q531-Q534 PolarHBondContact O-N 3.07Å; Q534-G536 PolarHBondContact O-N 3.47Å
535G84.1Confident81Confident53 Ų5383.6 Ų83.655%0.54644%0.444SS..THydrogen-bonded Turntrans-71.2-8.5173.300000114.5Q531 R533 I537Q531-G535 PolarHBondContact O-N 3.18Å; R533-G535 VanDerWaalsContact C-N 3.29Å; R533-G535 PolarHBondContact O-N 2.79Å; G535-I537 PolarHBondContact O-N 3.37Å
536G79.4Confident80.6Confident49 Ų4985.3 Ų85.351%0.50545%0.454SS..THydrogen-bonded Turntrans69.77.6-178.600000115L532 R533 Q534L532-G536 PolarHBondContact O-N 2.98Å; R533-G536 PolarHBondContact O-N 3.21Å; Q534-G536 PolarHBondContact O-N 3.47Å
537I79.3Confident80.1Confident136 Ų13686 Ų8670%0.69747%0.469SS*.SBendtrans-75.9-40.2-178.1-59.6173.8000110.3L532 G535L532-I537 HydrophobicContact CD2-CB 4.36Å; L532-I537 HydrophobicContact CD2-CD1 4.36Å; L532-I537 HydrophobicContact CD2-CG2 4.41Å; L532-I537 PolarHBondContact O-N 3.03Å; L532-I537 VanDerWaalsContact O-N 3.1Å; G535-I537 PolarHBondContact O-N 3.37Å
538V78.7Confident79.6Confident65 Ų6590.5 Ų90.539%0.39448%0.48SS..  trans-125.2134.9177.9-178.10000108.6L532 R533 P540L532-V538 HydrophobicContact CB-CB 4.05Å; L532-V538 HydrophobicContact CB-CG2 4.08Å; L532-V538 HydrophobicContact CD1-CG2 4.13Å; L532-V538 HydrophobicContact CG-CG2 4.5Å; L532-V538 PolarHBondContact O-N 3.49Å; R533-V538 VanDerWaalsContact CA-O 3.31Å; R533-V538 WeakPolarHBondContact CA-O 3.45Å; V538-P540 WeakPolarHBondContact O-CD 3.48Å
539K80.6Confident79.3Confident160 Ų16091.1 Ų91.170%0.69649%0.489SS*.  trans-111.994.9170.4-67.7-177.7-177.3179.80108.3A541K539-A541 PolarHBondContact O-N 3.15Å
540P77.7Confident79Confident19 Ų1993.7 Ų93.712%0.12350%0.5CS..  trans-51.9139.5169.8-23.635000109.2I529 R533 V538 P551 L552I529-P540 HydrophobicContact CG2-CG 3.64Å; R533-P540 HydrophobicContact CB-CG 4.49Å; R533-P540 HydrophobicContact CG-CG 4.5Å; V538-P540 WeakPolarHBondContact O-CD 3.48Å; P540-P551 WeakPolarHBondContact O-CA 3.43Å; P540-L552 HydrophobicContact CB-CB 4.28Å; P540-L552 HydrophobicContact CB-CD1 3.5Å; P540-L552 HydrophobicContact CB-CG 4.43Å; P540-L552 WeakPolarHBondContact O-CB 3.39Å; P540-L552 PolarHBondContact O-N 3.46Å
541A79.2Confident78.9Confident48 Ų4897.1 Ų97.140%0.39752%0.524SS..EExtended strand (participates in β ladder)trans-132.9143.3-177.100000111.5K539 P549 Q550K539-A541 PolarHBondContact O-N 3.15Å; A541-P549 HydrophobicContact CB-CB 3.92Å; A541-Q550 CarbonylContact C-O 3.59Å; A541-Q550 WeakPolarHBondContact CA-O 3.43Å; A541-Q550 VanDerWaalsContact CB-O 3.27Å; A541-Q550 WeakPolarHBondContact CB-O 3.42Å
542M74.7Confident78.4Confident54 Ų5491.3 Ų91.327%0.26650%0.497SS..EExtended strand (participates in β ladder)trans-92.3154.2166-67-173-56.200109.9P549 Q550 L552 Q557M542-P549 CarbonylContact O-C 3.54Å; M542-P549 WeakPolarHBondContact O-CA 3.37Å; M542-Q550 PolarHBondContact N-O 3.45Å; M542-Q550 PolarHBondContact O-N 3.5Å; M542-L552 HydrophobicContact CE-CD2 3.97Å; M542-L552 HydrophobicContact CG-CD1 4.23Å; M542-L552 HydrophobicContact CG-CD2 3.41Å; M542-L552 VanDerWaalsContact CG-CD2 3.41Å; M542-L552 HydrophobicContact CG-CG 3.78Å; M542-L552 HydrophobicContact SD-CD2 3.57Å; M542-L552 VanDerWaalsContact SD-CD2 3.57Å; M542-Q557 HydrophobicContact SD-CB 4.38Å
543I74.7Confident77.9Confident125 Ų12595.4 Ų95.464%0.64152%0.515SS*.EExtended strand (participates in β ladder)trans-89.9118.7172.4-58.5178000107.2
544D74Confident77.6Confident35 Ų3596.2 Ų96.219%0.18752%0.521CS..  trans-73.2177.317567.320.1000112.4D546 G547 R548 Q550D544-D546 PolarHBondContact O-N 2.87Å; D544-D546 VanDerWaalsContact O-N 3.09Å; D544-D546 WeakPolarHBondContact OD1-CA 3.49Å; D544-D546 WeakPolarHBondContact OD1-CB 3.47Å; D544-D546 PolarHBondContact OD1-N 2.98Å; D544-G547 PolarHBondContact O-N 3.31Å; D544-G547 PolarHBondContact OD1-N 2.79Å; D544-G547 VanDerWaalsContact OD1-N 3.14Å; D544-R548 VanDerWaalsContact CG-O 3.32Å; D544-R548 PolarHBondContact N-O 3.06Å; D544-R548 PolarHBondContact OD1-N 3.3Å; D544-Q550 HydrophobicContact CB-CG 4.06Å; D544-Q550 PolarHBondContact OD2-NE2 3.31Å
545K77Confident77Confident215 Ų21590 Ų9094%0.93549%0.493SS*.THydrogen-bonded Turntrans-61.1-18.4179.6-65.9178.6-179.11760113.8
546D75.1Confident76.4Confident139 Ų13991.4 Ų91.474%0.74349%0.487SS*.THydrogen-bonded Turntrans-95.13.4179.7-61-35.1000112D544 R548D544-D546 PolarHBondContact O-N 2.87Å; D544-D546 VanDerWaalsContact O-N 3.09Å; D544-D546 WeakPolarHBondContact OD1-CA 3.49Å; D544-D546 WeakPolarHBondContact OD1-CB 3.47Å; D544-D546 PolarHBondContact OD1-N 2.98Å; D546-R548 VanDerWaalsContact C-N 3.34Å
547G74.8Confident76.1Confident54 Ų5491.1 Ų91.156%0.55747%0.472SS*.SBendtrans79.514.2-179.800000113.9D544D544-G547 PolarHBondContact O-N 3.31Å; D544-G547 PolarHBondContact OD1-N 2.79Å; D544-G547 VanDerWaalsContact OD1-N 3.14Å
548R75.6Confident75.6Confident180 Ų18088 Ų8868%0.67946%0.457SS*.  trans-100.6144.4-178.1-67.3-176.5173.9-178.3-0.4111.7D544 D546 Q550D544-R548 VanDerWaalsContact CG-O 3.32Å; D544-R548 PolarHBondContact N-O 3.06Å; D544-R548 PolarHBondContact OD1-N 3.3Å; D546-R548 VanDerWaalsContact C-N 3.34Å; R548-Q550 PolarHBondContact O-N 3.36Å
549P79Confident75Confident102 Ų10290 Ų9066%0.66246%0.462SS*.EExtended strand (participates in β ladder)trans-74.7122.4177.129.1-32.4000111A541 M542A541-P549 HydrophobicContact CB-CB 3.92Å; M542-P549 CarbonylContact O-C 3.54Å; M542-P549 WeakPolarHBondContact O-CA 3.37Å
550Q78.7Confident74.4Confident103 Ų10389.4 Ų89.448%0.48146%0.462SS..EExtended strand (participates in β ladder)trans-110.5133.4170.7-65.8-166.610.600110.6A541 M542 D544 R548 L552A541-Q550 CarbonylContact C-O 3.59Å; A541-Q550 WeakPolarHBondContact CA-O 3.43Å; A541-Q550 VanDerWaalsContact CB-O 3.27Å; A541-Q550 WeakPolarHBondContact CB-O 3.42Å; M542-Q550 PolarHBondContact N-O 3.45Å; M542-Q550 PolarHBondContact O-N 3.5Å; D544-Q550 HydrophobicContact CB-CG 4.06Å; D544-Q550 PolarHBondContact OD2-NE2 3.31Å; R548-Q550 PolarHBondContact O-N 3.36Å; Q550-L552 PolarHBondContact O-N 3.14Å
551P79.1Confident73.7Confident94 Ų9492 Ų9261%0.6147%0.472SS*.EExtended strand (participates in β ladder)trans-64.6137.3-178.827.3-33.3000111.6P540P540-P551 WeakPolarHBondContact O-CA 3.43Å
552L74.7Confident72.8Confident11 Ų1193.3 Ų93.36%0.05847%0.472CS..  trans-70.9136.4175.7-81.7158.6000111.5P540 M542 Q550 Q557 L558P540-L552 HydrophobicContact CB-CB 4.28Å; P540-L552 HydrophobicContact CB-CD1 3.5Å; P540-L552 HydrophobicContact CB-CG 4.43Å; P540-L552 WeakPolarHBondContact O-CB 3.39Å; P540-L552 PolarHBondContact O-N 3.46Å; M542-L552 HydrophobicContact CE-CD2 3.97Å; M542-L552 HydrophobicContact CG-CD1 4.23Å; M542-L552 HydrophobicContact CG-CD2 3.41Å; M542-L552 VanDerWaalsContact CG-CD2 3.41Å; M542-L552 HydrophobicContact CG-CG 3.78Å; M542-L552 HydrophobicContact SD-CD2 3.57Å; M542-L552 VanDerWaalsContact SD-CD2 3.57Å; Q550-L552 PolarHBondContact O-N 3.14Å; L552-Q557 HydrophobicContact CD2-CB 3.55Å; L552-Q557 HydrophobicContact CD2-CG 4.45Å; L552-Q557 VanDerWaalsContact CD2-OE1 3.31Å; L552-L558 HydrophobicContact CD1-CD1 4.13Å; L552-L558 HydrophobicContact CD1-CD2 3.57Å; L552-L558 HydrophobicContact CD1-CG 3.69Å
553E75Confident72Confident154 Ų15494.3 Ų94.372%0.7248%0.483SS*.SBendtrans-79.7-36.7174.2-64.1-172.4162.800111.3R533 Q557R533-E553 VanDerWaalsContact CZ-O 3.28Å; R533-E553 PolarHBondContact NH1-O 3.02Å; E553-Q557 VanDerWaalsContact N-OE1 3.08Å
554H75.1Confident71.2Confident85 Ų8595 Ų9539%0.39448%0.483SS..SBendtrans-145.5139.4178.9-166.2-87.9000110.8L556 Q557H554-L556 WeakPolarHBondContact CE1-CD1 3.49Å; H554-L556 VanDerWaalsContact CE1-CG 3.41Å; H554-L556 WeakPolarHBondContact CE1-CG 3.47Å; H554-L556 WeakPolarHBondContact ND1-CB 3.49Å; H554-L556 WeakPolarHBondContact ND1-CG 3.37Å; H554-L556 PolarHBondContact ND1-N 3.21Å; H554-L556 VanDerWaalsContact ND1-N 3.18Å; H554-L556 PolarHBondContact O-N 3.29Å; H554-Q557 VanDerWaalsContact O-CB 3.31Å; H554-Q557 WeakPolarHBondContact O-CB 3.44Å; H554-Q557 WeakPolarHBondContact O-CG 3.05Å; H554-Q557 PolarHBondContact O-N 3.09Å; H554-Q557 VanDerWaalsContact O-N 3.07Å; H554-Q557 PolarHBondContact O-OE1 3Å
555I71.3Confident70.2Confident10 Ų1097.8 Ų97.85%0.05150%0.495CS..THydrogen-bonded Turntrans-62.9-29.7-174.6-161.8168.5000114V526 I529 E530 Q557 L558V526-I555 HydrophobicContact CG1-CD1 4.32Å; V526-I555 HydrophobicContact CG1-CG2 3.85Å; I529-I555 HydrophobicContact CB-CD1 3.31Å; I529-I555 HydrophobicContact CD1-CD1 4.21Å; I529-I555 HydrophobicContact CG1-CD1 4.36Å; I529-I555 HydrophobicContact CG2-CD1 3.24Å; I529-I555 HydrophobicContact CG2-CG1 4.27Å; E530-I555 HydrophobicContact CB-CG2 4.35Å; I555-Q557 PolarHBondContact O-N 3.35Å; I555-Q557 VanDerWaalsContact O-N 3.15Å; I555-L558 HydrophobicContact CG1-CD1 3.83Å; I555-L558 VanDerWaalsContact O-CB 3.27Å; I555-L558 WeakPolarHBondContact O-CB 3.29Å; I555-L558 WeakPolarHBondContact O-CG 3.3Å; I555-L558 PolarHBondContact O-N 3.25Å
556L71.2Confident69.2Low82 Ų8292.7 Ų92.743%0.42947%0.474SS..THydrogen-bonded Turntrans-61.8-19.6176.8-65.9171.2000113.5H554 L558 Q559H554-L556 WeakPolarHBondContact CE1-CD1 3.49Å; H554-L556 VanDerWaalsContact CE1-CG 3.41Å; H554-L556 WeakPolarHBondContact CE1-CG 3.47Å; H554-L556 WeakPolarHBondContact ND1-CB 3.49Å; H554-L556 WeakPolarHBondContact ND1-CG 3.37Å; H554-L556 PolarHBondContact ND1-N 3.21Å; H554-L556 VanDerWaalsContact ND1-N 3.18Å; H554-L556 PolarHBondContact O-N 3.29Å; L556-L558 PolarHBondContact O-N 3.35Å; L556-Q559 WeakPolarHBondContact O-CB 3.46Å; L556-Q559 PolarHBondContact O-N 3.45Å
557Q71.8Confident68.2Low43 Ų4391 Ų9120%0.20147%0.465CS..Hα-helixtrans-60.2-26172.9-67.5171.1-26.400111.5M542 L552 E553 H554 I555 Q559 E560M542-Q557 HydrophobicContact SD-CB 4.38Å; L552-Q557 HydrophobicContact CD2-CB 3.55Å; L552-Q557 HydrophobicContact CD2-CG 4.45Å; L552-Q557 VanDerWaalsContact CD2-OE1 3.31Å; E553-Q557 VanDerWaalsContact N-OE1 3.08Å; H554-Q557 VanDerWaalsContact O-CB 3.31Å; H554-Q557 WeakPolarHBondContact O-CB 3.44Å; H554-Q557 WeakPolarHBondContact O-CG 3.05Å; H554-Q557 PolarHBondContact O-N 3.09Å; H554-Q557 VanDerWaalsContact O-N 3.07Å; H554-Q557 PolarHBondContact O-OE1 3Å; I555-Q557 PolarHBondContact O-N 3.35Å; I555-Q557 VanDerWaalsContact O-N 3.15Å; Q557-Q559 PolarHBondContact O-N 3.21Å; Q557-E560 PolarHBondContact O-N 3.1Å
558L69.6Low67.2Low70 Ų7092.2 Ų92.237%0.36646%0.459SS..Hα-helixtrans-62.4-28.2171.7-68.4172000112.8L552 I555 L556L552-L558 HydrophobicContact CD1-CD1 4.13Å; L552-L558 HydrophobicContact CD1-CD2 3.57Å; L552-L558 HydrophobicContact CD1-CG 3.69Å; I555-L558 HydrophobicContact CG1-CD1 3.83Å; I555-L558 VanDerWaalsContact O-CB 3.27Å; I555-L558 WeakPolarHBondContact O-CB 3.29Å; I555-L558 WeakPolarHBondContact O-CG 3.3Å; I555-L558 PolarHBondContact O-N 3.25Å; L556-L558 PolarHBondContact O-N 3.35Å
559Q66.9Low65.9Low107 Ų10790 Ų9050%0.546%0.456SS..Hα-helixtrans-76-26.6177.9-64.4-176-27.300112.4L556 Q557 E561 L562L556-Q559 WeakPolarHBondContact O-CB 3.46Å; L556-Q559 PolarHBondContact O-N 3.45Å; Q557-Q559 PolarHBondContact O-N 3.21Å; Q559-E561 VanDerWaalsContact C-N 3.28Å; Q559-E561 PolarHBondContact O-N 3.37Å; Q559-L562 HydrophobicContact CB-CD1 4.19Å; Q559-L562 HydrophobicContact CG-CD1 4.27Å; Q559-L562 WeakPolarHBondContact O-CB 3.18Å; Q559-L562 PolarHBondContact O-N 2.93Å
560E68Low64.6Low148 Ų14893 Ų9369%0.69246%0.458SS*.Hα-helixtrans-68.3-29.2-179-62.5-178.5176.100112Q557 P563Q557-E560 PolarHBondContact O-N 3.1Å; E560-P563 WeakPolarHBondContact O-CD 3.29Å
561E63Low63.3Low72 Ų7297.5 Ų97.534%0.33647%0.471SS..THydrogen-bonded Turntrans-85.6-13.3176.6-66.2-164.3163.700114.3Q559 P563 Q564 Q565Q559-E561 VanDerWaalsContact C-N 3.28Å; Q559-E561 PolarHBondContact O-N 3.37Å; E561-P563 VanDerWaalsContact C-CD 3.44Å; E561-Q564 WeakPolarHBondContact O-CB 3.41Å; E561-Q564 PolarHBondContact O-N 3.32Å; E561-Q565 WeakPolarHBondContact O-CG 3.36Å; E561-Q565 PolarHBondContact O-N 2.72Å
562L59.2Low61.7Low77 Ų77102 Ų10240%0.40348%0.481SS..Hα-helixtrans-52.2-45.6-179.5-85.9164000113.5Q559 Q564 Q565 Q566Q559-L562 HydrophobicContact CB-CD1 4.19Å; Q559-L562 HydrophobicContact CG-CD1 4.27Å; Q559-L562 WeakPolarHBondContact O-CB 3.18Å; Q559-L562 PolarHBondContact O-N 2.93Å; L562-Q564 PolarHBondContact O-N 3.35Å; L562-Q565 PolarHBondContact O-N 3.42Å; L562-Q566 WeakPolarHBondContact O-CB 3.49Å; L562-Q566 VanDerWaalsContact O-CG 3.27Å; L562-Q566 WeakPolarHBondContact O-CG 3.47Å; L562-Q566 PolarHBondContact O-N 3.11Å
563P59.3Low59.9Low75 Ų75109.4 Ų109.449%0.48753%0.527SS..Hα-helixtrans-60.6-37.2178.8-21.933.4000112.2E560 E561 L567E560-P563 WeakPolarHBondContact O-CD 3.29Å; E561-P563 VanDerWaalsContact C-CD 3.44Å; P563-L567 WeakPolarHBondContact O-CB 3.41Å; P563-L567 WeakPolarHBondContact O-CD1 3.45Å; P563-L567 WeakPolarHBondContact O-CG 3.5Å; P563-L567 PolarHBondContact O-N 2.99Å
564Q57.2Low59.2Low138 Ų138107.2 Ų107.265%0.64552%0.517SS*.Hα-helixtrans-71.3-43.3-179-144.3123.53.900110.9E561 L562 L567 D568E561-Q564 WeakPolarHBondContact O-CB 3.41Å; E561-Q564 PolarHBondContact O-N 3.32Å; L562-Q564 PolarHBondContact O-N 3.35Å; Q564-L567 WeakPolarHBondContact O-CB 3.42Å; Q564-L567 PolarHBondContact O-N 2.97Å; Q564-D568 PolarHBondContact O-N 3.32Å
565Q53.6Low58.3Low94 Ų94108.3 Ų108.344%0.43952%0.523SS..Hα-helixtrans-66.4-38.6175.7-66.5179.56.500112.4E561 L562 D568 Q569E561-Q565 WeakPolarHBondContact O-CG 3.36Å; E561-Q565 PolarHBondContact O-N 2.72Å; L562-Q565 PolarHBondContact O-N 3.42Å; Q565-D568 PolarHBondContact O-N 3.08Å; Q565-Q569 WeakPolarHBondContact O-CG 3.44Å; Q565-Q569 PolarHBondContact O-N 3.38Å
566Q54.6Low57.6Low109 Ų109113.8 Ų113.851%0.50955%0.55SS..Hα-helixtrans-65.9-37.8174.4-74.4179.3-0.900112.1L562 D568 Q569 K570L562-Q566 WeakPolarHBondContact O-CB 3.49Å; L562-Q566 VanDerWaalsContact O-CG 3.27Å; L562-Q566 WeakPolarHBondContact O-CG 3.47Å; L562-Q566 PolarHBondContact O-N 3.11Å; Q566-D568 VanDerWaalsContact C-N 3.35Å; Q566-Q569 PolarHBondContact O-N 2.87Å; Q566-K570 WeakPolarHBondContact O-CG 3.5Å; Q566-K570 PolarHBondContact O-N 3.41Å
567L55Low56.8Low104 Ų104115.6 Ų115.655%0.54556%0.557SS.*Hα-helixtrans-62.4-41.8172.7-85.7160.5000111.6P563 Q564 K570 R571P563-L567 WeakPolarHBondContact O-CB 3.41Å; P563-L567 WeakPolarHBondContact O-CD1 3.45Å; P563-L567 WeakPolarHBondContact O-CG 3.5Å; P563-L567 PolarHBondContact O-N 2.99Å; Q564-L567 WeakPolarHBondContact O-CB 3.42Å; Q564-L567 PolarHBondContact O-N 2.97Å; L567-K570 PolarHBondContact O-N 3.08Å; L567-R571 WeakPolarHBondContact O-CG 3.34Å; L567-R571 PolarHBondContact O-N 3.16Å
568D53.3Low55.9Low79 Ų79120.2 Ų120.242%0.42258%0.579SS.*Hα-helixtrans-73-32.3178.5-73.8-24.8000113.1Q564 Q565 Q566 R571 K572Q564-D568 PolarHBondContact O-N 3.32Å; Q565-D568 PolarHBondContact O-N 3.08Å; Q566-D568 VanDerWaalsContact C-N 3.35Å; D568-R571 PolarHBondContact O-N 3.2Å; D568-K572 PolarHBondContact O-N 3.02Å
569Q48Very low55Low134 Ų134123.5 Ų123.563%0.62659%0.593SS**Hα-helixtrans-65.3-43.9171.3-79.5-178.3100111.9Q565 Q566 R571 K572 T573Q565-Q569 WeakPolarHBondContact O-CG 3.44Å; Q565-Q569 PolarHBondContact O-N 3.38Å; Q566-Q569 PolarHBondContact O-N 2.87Å; Q569-R571 PolarHBondContact O-N 3.02Å; Q569-K572 PolarHBondContact O-N 3.3Å; Q569-T573 PolarHBondContact O-N 3.31Å; Q569-T573 VanDerWaalsContact O-N 3.12Å; Q569-T573 PolarHBondContact O-OG1 3.36Å
570K52Low54.1Low163 Ų163124.7 Ų124.771%0.70960%0.6SS**Hα-helixtrans-63.4-19.1175.7-78.5-177.2178.3178.10114.2Q566 L567Q566-K570 WeakPolarHBondContact O-CG 3.5Å; Q566-K570 PolarHBondContact O-N 3.41Å; L567-K570 PolarHBondContact O-N 3.08Å
571R51.5Low53.1Low199 Ų199122.9 Ų122.975%0.75159%0.593SS**THydrogen-bonded Turntrans-85.4-16.9173.7-73.9175.6174.1-177.2-2.1113.1L567 D568 Q569L567-R571 WeakPolarHBondContact O-CG 3.34Å; L567-R571 PolarHBondContact O-N 3.16Å; D568-R571 PolarHBondContact O-N 3.2Å; Q569-R571 PolarHBondContact O-N 3.02Å
572K44.3Very low52.2Low189 Ų189127.2 Ų127.282%0.82261%0.614SS**THydrogen-bonded Turntrans-104.2-20.2-175.3-74.3-177.9178.2178.40113.9D568 Q569D568-K572 PolarHBondContact O-N 3.02Å; Q569-K572 PolarHBondContact O-N 3.3Å
573T38.8Very low51.6Low165 Ų165131.7 Ų131.7100%1.01263%0.633SS**  trans-86.40162.654.90000110Q569Q569-T573 PolarHBondContact O-N 3.31Å; Q569-T573 VanDerWaalsContact O-N 3.12Å; Q569-T573 PolarHBondContact O-OG1 3.36Å

Retrieved 573 of 573 residues in 438.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).