A0A077ZKN6_TRITR Loading...

Glutamate-ammonia-ligase adenylyltransferase

AlphaFold DB , UniProt , Accession A0A077ZKN6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 946 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
1M76Confident90.4Very high138 Ų13870.5 Ų70.568%0.6838%0.379SS*.  0119.60-166177.495.100109S34 L107 W407M1-S34 PolarHBondContact SD-OG 3.49Å; M1-L107 HydrophobicContact SD-CD2 3.78Å; M1-W407 HydrophobicContact CE-CZ2 4.27Å; M1-W407 HydrophobicContact CG-CH2 4.36Å; M1-W407 HydrophobicContact CG-CZ2 3.56Å; M1-W407 HydrophobicContact SD-CH2 4.25Å; M1-W407 HydrophobicContact SD-CZ2 3.78Å
2K84.2Confident90.8Very high78 Ų7865.2 Ų65.234%0.33935%0.349SS..PPolyproline II helixtrans-67.5147.4172.9-73.7175.2174.5166.70110W407 D410K2-W407 PolarHBondContact O-NE1 2.81Å; K2-D410 WeakPolarHBondContact CD-OD1 3.49Å; K2-D410 WeakPolarHBondContact CE-OD1 3.35Å; K2-D410 VanDerWaalsContact NZ-C 3.27Å; K2-D410 PolarHBondContact NZ-O 2.91Å; K2-D410 IonicContact NZ-OD1 2.7Å; K2-D410 PolarHBondContact NZ-OD1 3.38Å
3P88.5Confident90.8Very high113 Ų11369.8 Ų69.873%0.73437%0.368SS*.PPolyproline II helixtrans-57.4149.4169.8-22.933.7000111.5S5P3-S5 PolarHBondContact O-N 3.43Å
4L91.7Very high90.9Very high21 Ų2168.6 Ų68.611%0.1136%0.364CS..PPolyproline II helixtrans-58.6135.7175.4-63.9177.1000110.1L8 Q9 K33 T37 W407L4-L8 HydrophobicContact CB-CB 4Å; L4-L8 HydrophobicContact CD2-CB 4.2Å; L4-L8 HydrophobicContact CD2-CD1 4.06Å; L4-Q9 HydrophobicContact CB-CG 3.88Å; L4-Q9 PolarHBondContact O-NE2 2.66Å; L4-K33 HydrophobicContact CD1-CG 4.44Å; L4-T37 HydrophobicContact CD1-CG2 4.26Å; L4-T37 HydrophobicContact CD2-CG2 4.42Å; L4-W407 HydrophobicContact CD2-CD2 4.3Å; L4-W407 HydrophobicContact CD2-CZ2 4.13Å
5S92Very high90.9Very high40 Ų4064.1 Ų64.128%0.2834%0.341SS..PPolyproline II helixtrans-70.4166.1175.161.50000111.5P3 L8 Q9P3-S5 PolarHBondContact O-N 3.43Å; S5-L8 PolarHBondContact O-N 3.08Å; S5-L8 WeakPolarHBondContact OG-CG 3.5Å; S5-Q9 WeakPolarHBondContact O-CG 3.49Å; S5-Q9 PolarHBondContact O-N 3.18Å
6S91.7Very high90.8Very high73 Ų7362.4 Ų62.451%0.5133%0.333SS..Hα-helixtrans-53.6-43.6-177.6-175.10000114L8 Q9 Q10S6-L8 VanDerWaalsContact C-N 3.33Å; S6-L8 PolarHBondContact O-N 3.2Å; S6-Q9 PolarHBondContact O-N 2.83Å; S6-Q10 WeakPolarHBondContact O-CG 3.28Å; S6-Q10 PolarHBondContact O-N 2.86Å; S6-Q10 VanDerWaalsContact O-N 3.13Å
7P93.2Very high90.7Very high48 Ų4868.5 Ų68.531%0.31236%0.36SS..Hα-helixtrans-62.4-38.8176.1-23.834.9000113.1Q10 Y11 A403P7-Q10 PolarHBondContact O-N 3.16Å; P7-Y11 PolarHBondContact O-N 3.47Å; P7-A403 HydrophobicContact CB-CB 4.04Å; P7-A403 HydrophobicContact CG-CB 4.27Å
8L95.1Very high90.4Very high2 Ų274.4 Ų74.41%0.0138%0.376CS..Hα-helixtrans-71.2-35.8179.7-62.3-176.9000112.3L4 S5 S6 Y11 W12 T37 L400 A403 R404 W407L4-L8 HydrophobicContact CB-CB 4Å; L4-L8 HydrophobicContact CD2-CB 4.2Å; L4-L8 HydrophobicContact CD2-CD1 4.06Å; S5-L8 PolarHBondContact O-N 3.08Å; S5-L8 WeakPolarHBondContact OG-CG 3.5Å; S6-L8 VanDerWaalsContact C-N 3.33Å; S6-L8 PolarHBondContact O-N 3.2Å; L8-Y11 PolarHBondContact O-N 3.47Å; L8-W12 WeakPolarHBondContact O-CB 3.5Å; L8-W12 PolarHBondContact O-N 3.13Å; L8-T37 HydrophobicContact CB-CG2 3.94Å; L8-T37 HydrophobicContact CD2-CG2 4.31Å; L8-T37 WeakPolarHBondContact O-CG2 3.17Å; L8-L400 HydrophobicContact CD2-CD1 4.04Å; L8-A403 HydrophobicContact CD2-CB 4.09Å; L8-A403 HydrophobicContact CG-CB 4.13Å; L8-R404 HydrophobicContact CD2-CB 4.34Å; L8-R404 HydrophobicContact CD2-CG 3.53Å; L8-W407 HydrophobicContact CD1-CB 3.69Å; L8-W407 HydrophobicContact CD1-CD2 4.37Å; L8-W407 HydrophobicContact CD1-CG 3.87Å
9Q93.7Very high90.3Very high100 Ų10071.9 Ų71.947%0.46736%0.364SS..Hα-helixtrans-64.8-40.7173.7-68.7177.511.700111.9L4 S5 S6 W12 Q13L4-Q9 HydrophobicContact CB-CG 3.88Å; L4-Q9 PolarHBondContact O-NE2 2.66Å; S5-Q9 WeakPolarHBondContact O-CG 3.49Å; S5-Q9 PolarHBondContact O-N 3.18Å; S6-Q9 PolarHBondContact O-N 2.83Å; Q9-W12 PolarHBondContact O-N 3.36Å; Q9-Q13 WeakPolarHBondContact O-CG 3.35Å; Q9-Q13 PolarHBondContact O-N 3.34Å
10Q93.4Very high90.2Very high119 Ų11970.6 Ų70.656%0.55636%0.36SS*.Hα-helixtrans-65.3-43175.1-71.8170.8-4.600111.3S6 P7 Q13S6-Q10 WeakPolarHBondContact O-CG 3.28Å; S6-Q10 PolarHBondContact O-N 2.86Å; S6-Q10 VanDerWaalsContact O-N 3.13Å; P7-Q10 PolarHBondContact O-N 3.16Å; Q10-Q13 WeakPolarHBondContact O-CB 3.37Å; Q10-Q13 PolarHBondContact O-N 3.07Å
11Y95.1Very high89.8Confident44 Ų4474.8 Ų74.817%0.17338%0.378CS..Hα-helixtrans-62.4-44176-175.1-106.6000112.1P7 L8 Q13 T14 V15 T37 D40 L400 R404P7-Y11 PolarHBondContact O-N 3.47Å; L8-Y11 PolarHBondContact O-N 3.47Å; Y11-Q13 PolarHBondContact O-N 2.79Å; Y11-T14 WeakPolarHBondContact O-CA 3.42Å; Y11-T14 WeakPolarHBondContact O-CB 3.25Å; Y11-T14 PolarHBondContact O-N 2.96Å; Y11-T14 PolarHBondContact O-OG1 3.17Å; Y11-V15 HydrophobicContact CD1-CG2 3.79Å; Y11-V15 HydrophobicContact CE1-CG2 3.34Å; Y11-V15 PolarHBondContact O-N 2.88Å; Y11-V15 VanDerWaalsContact O-N 3.12Å; Y11-T37 HydrophobicContact CD1-CG2 4.17Å; Y11-D40 PolarHBondContact OH-OD1 2.87Å; Y11-L400 HydrophobicContact CD1-CD1 4.25Å; Y11-L400 HydrophobicContact CD2-CD1 4.07Å; Y11-L400 HydrophobicContact CD2-CD2 3.56Å; Y11-L400 HydrophobicContact CD2-CG 4.49Å; Y11-L400 HydrophobicContact CE2-CD2 3.68Å; Y11-L400 HydrophobicContact CG-CD1 3.71Å; Y11-L400 HydrophobicContact CG-CD2 4Å; Y11-R404 VanDerWaalsContact CZ-NH2 3.31Å; Y11-R404 PolarHBondContact OH-NH2 2.96Å
12W94.5Very high90.3Very high6 Ų671.8 Ų71.82%0.02337%0.369CS..Hα-helixtrans-54.5-40.1176.4173.5-103000112.9L8 Q9 T14 V15 V16 L19 E25 L28 K33 L36 T37L8-W12 WeakPolarHBondContact O-CB 3.5Å; L8-W12 PolarHBondContact O-N 3.13Å; Q9-W12 PolarHBondContact O-N 3.36Å; W12-T14 PolarHBondContact O-N 2.81Å; W12-V15 HydrophobicContact CE3-CB 4.03Å; W12-V15 HydrophobicContact CE3-CG1 3.85Å; W12-V15 HydrophobicContact CH2-CG1 4.49Å; W12-V15 HydrophobicContact CZ3-CB 4.29Å; W12-V15 HydrophobicContact CZ3-CG1 3.61Å; W12-V15 WeakPolarHBondContact O-CB 3.39Å; W12-V15 PolarHBondContact O-N 2.96Å; W12-V16 HydrophobicContact CZ2-CB 4.2Å; W12-V16 HydrophobicContact CZ2-CG2 4.42Å; W12-V16 PolarHBondContact O-N 2.95Å; W12-L19 HydrophobicContact CH2-CD1 4.02Å; W12-E25 HydrophobicContact CZ2-CG 4.3Å; W12-E25 PolarHBondContact NE1-OE1 3.18Å; W12-L28 HydrophobicContact CH2-CD1 3.69Å; W12-L28 HydrophobicContact CZ2-CD1 4.18Å; W12-K33 HydrophobicContact CD2-CD 4.16Å; W12-K33 HydrophobicContact CD2-CG 3.72Å; W12-K33 HydrophobicContact CE3-CG 4.06Å; W12-K33 HydrophobicContact CG-CD 4.4Å; W12-K33 HydrophobicContact CG-CG 4.26Å; W12-K33 HydrophobicContact CH2-CB 4.24Å; W12-K33 HydrophobicContact CH2-CG 4.16Å; W12-K33 HydrophobicContact CZ2-CB 4.2Å; W12-K33 HydrophobicContact CZ2-CD 4.06Å; W12-K33 HydrophobicContact CZ2-CG 3.84Å; W12-K33 HydrophobicContact CZ3-CG 4.27Å; W12-L36 HydrophobicContact CH2-CD1 4.46Å; W12-L36 HydrophobicContact CZ3-CB 3.85Å; W12-L36 HydrophobicContact CZ3-CD1 4.43Å; W12-T37 HydrophobicContact CB-CG2 4.38Å; W12-T37 VanDerWaalsContact CE3-OG1 3.23Å
13Q91.9Very high90.4Very high125 Ų12568.3 Ų68.358%0.58435%0.354SS*.Hα-helixtrans-59.8-31.1176.8-70.5173.2-12.900112.3Q9 Q10 Y11 V16 E17Q9-Q13 WeakPolarHBondContact O-CG 3.35Å; Q9-Q13 PolarHBondContact O-N 3.34Å; Q10-Q13 WeakPolarHBondContact O-CB 3.37Å; Q10-Q13 PolarHBondContact O-N 3.07Å; Y11-Q13 PolarHBondContact O-N 2.79Å; Q13-V16 VanDerWaalsContact O-CG1 3.32Å; Q13-V16 WeakPolarHBondContact O-CG1 3.45Å; Q13-E17 WeakPolarHBondContact O-CG 3.35Å
14T91.5Very high90.3Very high53 Ų5364.3 Ų64.333%0.32533%0.331SS..Hα-helixtrans-80.6-25.917572.10000113.3Y11 W12 R18Y11-T14 WeakPolarHBondContact O-CA 3.42Å; Y11-T14 WeakPolarHBondContact O-CB 3.25Å; Y11-T14 PolarHBondContact O-N 2.96Å; Y11-T14 PolarHBondContact O-OG1 3.17Å; W12-T14 PolarHBondContact O-N 2.81Å; T14-R18 WeakPolarHBondContact O-CG 3.46Å
15V91.1Very high90Very high1 Ų167.3 Ų67.31%0.00634%0.344CS..Hα-helixtrans-73.6-47.7177.8166.70000110.5Y11 W12 E17 R18 L19Y11-V15 HydrophobicContact CD1-CG2 3.79Å; Y11-V15 HydrophobicContact CE1-CG2 3.34Å; Y11-V15 PolarHBondContact O-N 2.88Å; Y11-V15 VanDerWaalsContact O-N 3.12Å; W12-V15 HydrophobicContact CE3-CB 4.03Å; W12-V15 HydrophobicContact CE3-CG1 3.85Å; W12-V15 HydrophobicContact CH2-CG1 4.49Å; W12-V15 HydrophobicContact CZ3-CB 4.29Å; W12-V15 HydrophobicContact CZ3-CG1 3.61Å; W12-V15 WeakPolarHBondContact O-CB 3.39Å; W12-V15 PolarHBondContact O-N 2.96Å; V15-E17 PolarHBondContact O-N 3.16Å; V15-R18 PolarHBondContact O-N 3.24Å; V15-L19 HydrophobicContact CG1-CD1 4.47Å; V15-L19 HydrophobicContact CG1-CD2 4.38Å; V15-L19 HydrophobicContact CG1-CG 4.36Å; V15-L19 PolarHBondContact O-N 3.49Å
16V90Very high89.8Confident37 Ų3773.6 Ų73.622%0.22437%0.369CS..Hα-helixtrans-60.2-34.6-176.867.50000112.6W12 Q13 R18 L19 E25W12-V16 HydrophobicContact CZ2-CB 4.2Å; W12-V16 HydrophobicContact CZ2-CG2 4.42Å; W12-V16 PolarHBondContact O-N 2.95Å; Q13-V16 VanDerWaalsContact O-CG1 3.32Å; Q13-V16 WeakPolarHBondContact O-CG1 3.45Å; V16-R18 PolarHBondContact O-N 3.09Å; V16-R18 VanDerWaalsContact O-N 3.15Å; V16-L19 PolarHBondContact O-N 3.49Å; V16-E25 HydrophobicContact CG2-CB 3.67Å; V16-E25 HydrophobicContact CG2-CG 4.08Å
17E87.7Confident89.5Confident167 Ų16773.2 Ų73.278%0.7837%0.367SS*.THydrogen-bonded Turntrans-64.9-15.8175.8-70.5179174.600113.6Q13 V15Q13-E17 WeakPolarHBondContact O-CG 3.35Å; V15-E17 PolarHBondContact O-N 3.16Å
18R86.1Confident89.3Confident175 Ų17572.1 Ų72.166%0.6636%0.358SS*.THydrogen-bonded Turntrans-110.7-6-174.6-61.4177.6-174.7178.13.2113.9T14 V15 V16T14-R18 WeakPolarHBondContact O-CG 3.46Å; V15-R18 PolarHBondContact O-N 3.24Å; V16-R18 PolarHBondContact O-N 3.09Å; V16-R18 VanDerWaalsContact O-N 3.15Å
19L88.9Confident89.2Confident26 Ų2673.8 Ų73.814%0.13637%0.37CS..PPolyproline II helixtrans-73.7132.2-177.3-69.3177.5000111.1W12 V15 V16 L23 L28 L36W12-L19 HydrophobicContact CH2-CD1 4.02Å; V15-L19 HydrophobicContact CG1-CD1 4.47Å; V15-L19 HydrophobicContact CG1-CD2 4.38Å; V15-L19 HydrophobicContact CG1-CG 4.36Å; V15-L19 PolarHBondContact O-N 3.49Å; V16-L19 PolarHBondContact O-N 3.49Å; L19-L23 HydrophobicContact CB-CB 4.31Å; L19-L28 HydrophobicContact CD1-CD1 3.77Å; L19-L36 HydrophobicContact CD1-CD1 4.41Å
20P87.6Confident89.1Confident46 Ų4672.7 Ų72.730%0.29938%0.378SS..PPolyproline II helixtrans-78.7157.5175.334.4-37000111.3L23 I47P20-L23 HydrophobicContact CG-CD1 4.48Å; P20-L23 WeakPolarHBondContact O-CA 3.45Å; P20-L23 VanDerWaalsContact O-CB 3.27Å; P20-L23 WeakPolarHBondContact O-CB 3.49Å; P20-L23 PolarHBondContact O-N 2.74Å; P20-I47 HydrophobicContact CG-CB 4.41Å; P20-I47 HydrophobicContact CG-CG1 4.14Å; P20-I47 HydrophobicContact CG-CG2 4.17Å
21E82.5Confident89.2Confident158 Ų15871.2 Ų71.274%0.73837%0.371SS*.THydrogen-bonded Turntrans-59.9137.4162.9-73.3-69.316400110.2
22P86.2Confident89.1Confident75 Ų7569.1 Ų69.149%0.48736%0.363SS..THydrogen-bonded Turncis-90.612.612.136.8-37.5000115.9A24 S27 P50P22-A24 PolarHBondContact O-N 3.3Å; P22-S27 PolarHBondContact O-OG 3.09Å; P22-P50 HydrophobicContact CG-CB 3.93Å
23L86.8Confident89.1Confident5 Ų572.1 Ų72.13%0.02638%0.376CS..  trans-84.545.8-172.1-52.9177.5000113.4L19 P20 V46 P50 L53L19-L23 HydrophobicContact CB-CB 4.31Å; P20-L23 HydrophobicContact CG-CD1 4.48Å; P20-L23 WeakPolarHBondContact O-CA 3.45Å; P20-L23 VanDerWaalsContact O-CB 3.27Å; P20-L23 WeakPolarHBondContact O-CB 3.49Å; P20-L23 PolarHBondContact O-N 2.74Å; L23-V46 HydrophobicContact CD1-CB 4.42Å; L23-V46 HydrophobicContact CD1-CG2 3.95Å; L23-P50 HydrophobicContact CD2-CB 4.19Å; L23-P50 HydrophobicContact CG-CB 4.31Å; L23-L53 HydrophobicContact CD2-CB 4.39Å; L23-L53 HydrophobicContact CD2-CD2 3.68Å
24A85.4Confident89.3Confident29 Ų2966.2 Ų66.224%0.2435%0.348CS..  trans-67.4147.8176.600000111.5P22 E26 S27P22-A24 PolarHBondContact O-N 3.3Å; A24-E26 PolarHBondContact O-N 3.48Å; A24-E26 VanDerWaalsContact O-N 3.09Å; A24-S27 PolarHBondContact N-OG 3.08Å; A24-S27 WeakPolarHBondContact O-CB 3.33Å; A24-S27 PolarHBondContact O-N 3.26Å; A24-S27 PolarHBondContact O-OG 3.27Å
25E86.5Confident89.5Confident84 Ų8463.7 Ų63.739%0.39333%0.333SS..G310 helixtrans-55.4-34.5-174.4-170.5167.9-158.800112.9W12 V16 S27 L28 K33W12-E25 HydrophobicContact CZ2-CG 4.3Å; W12-E25 PolarHBondContact NE1-OE1 3.18Å; V16-E25 HydrophobicContact CG2-CB 3.67Å; V16-E25 HydrophobicContact CG2-CG 4.08Å; E25-S27 PolarHBondContact O-N 3.27Å; E25-L28 PolarHBondContact O-N 3.14Å; E25-K33 IonicContact OE1-NZ 3.17Å; E25-K33 PolarHBondContact OE1-NZ 3.24Å
26E86.3Confident89.7Confident173 Ų17363.6 Ų63.681%0.80833%0.333SS*.G310 helixtrans-68.8-21.5180-57.281.3-178.200113.4A24A24-E26 PolarHBondContact O-N 3.48Å; A24-E26 VanDerWaalsContact O-N 3.09Å
27S86.2Confident90Very high65 Ų6561.9 Ų61.946%0.45532%0.322SS..G310 helixtrans-87.8-14.6178.9730000113.3P22 A24 E25P22-S27 PolarHBondContact O-OG 3.09Å; A24-S27 PolarHBondContact N-OG 3.08Å; A24-S27 WeakPolarHBondContact O-CB 3.33Å; A24-S27 PolarHBondContact O-N 3.26Å; A24-S27 PolarHBondContact O-OG 3.27Å; E25-S27 PolarHBondContact O-N 3.27Å
28L90Very high90.4Very high24 Ų2454 Ų5413%0.12629%0.285CS..  trans-90129.2-171.5-61.9178.2000111.8W12 L19 E25 A32 L36 L53W12-L28 HydrophobicContact CH2-CD1 3.69Å; W12-L28 HydrophobicContact CZ2-CD1 4.18Å; L19-L28 HydrophobicContact CD1-CD1 3.77Å; E25-L28 PolarHBondContact O-N 3.14Å; L28-A32 HydrophobicContact CB-CB 4.18Å; L28-A32 HydrophobicContact CD2-CB 4.15Å; L28-L36 HydrophobicContact CD1-CD1 4.12Å; L28-L36 HydrophobicContact CD2-CD1 4.44Å; L28-L53 HydrophobicContact CD2-CD2 3.39Å
29S92.4Very high90.9Very high38 Ų3845.7 Ų45.727%0.26625%0.254SS..  trans-63.9160.2168.4690000111.9Q31 A32 K33 E57S29-Q31 PolarHBondContact O-N 3.13Å; S29-Q31 VanDerWaalsContact O-N 3.16Å; S29-A32 WeakPolarHBondContact O-CB 3.34Å; S29-A32 PolarHBondContact O-N 3.16Å; S29-A32 VanDerWaalsContact O-N 3.1Å; S29-A32 WeakPolarHBondContact OG-CB 3.49Å; S29-A32 PolarHBondContact OG-N 3.36Å; S29-K33 PolarHBondContact O-N 2.95Å; S29-E57 WeakPolarHBondContact CB-OE1 3.27Å; S29-E57 PolarHBondContact N-OE1 3.33Å; S29-E57 VanDerWaalsContact N-OE1 3.16Å; S29-E57 PolarHBondContact OG-OE1 2.82Å
30A92.3Very high91.3Very high76 Ų7645.6 Ų45.663%0.62825%0.253SS*.Hα-helixtrans-59.4-27173.900000112.8S34A30-S34 PolarHBondContact O-N 3.32Å
31Q93.9Very high91.7Very high89 Ų8944.2 Ų44.242%0.41624%0.243SC..Hα-helixtrans-73.9-46.3173.7-72.8176.7-28.800111.2S29 K33 S34 V35 W103 L107S29-Q31 PolarHBondContact O-N 3.13Å; S29-Q31 VanDerWaalsContact O-N 3.16Å; Q31-K33 VanDerWaalsContact C-N 3.29Å; Q31-K33 PolarHBondContact O-N 3.44Å; Q31-S34 PolarHBondContact O-N 3.34Å; Q31-S34 PolarHBondContact O-OG 3Å; Q31-V35 WeakPolarHBondContact O-CG2 3.39Å; Q31-V35 PolarHBondContact O-N 3.19Å; Q31-W103 HydrophobicContact CB-CZ2 4.22Å; Q31-L107 HydrophobicContact CB-CD1 3.83Å; Q31-L107 HydrophobicContact CB-CD2 4.13Å; Q31-L107 HydrophobicContact CG-CD1 4.11Å; Q31-L107 HydrophobicContact CG-CD2 4.14Å
32A94Very high92.4Very high0 Ų036.7 Ų36.70%021%0.208CC..Hα-helixtrans-55.4-46.8174.700000111.7L28 S29 S34 V35 L36 L53 E57 W103L28-A32 HydrophobicContact CB-CB 4.18Å; L28-A32 HydrophobicContact CD2-CB 4.15Å; S29-A32 WeakPolarHBondContact O-CB 3.34Å; S29-A32 PolarHBondContact O-N 3.16Å; S29-A32 VanDerWaalsContact O-N 3.1Å; S29-A32 WeakPolarHBondContact OG-CB 3.49Å; S29-A32 PolarHBondContact OG-N 3.36Å; A32-S34 VanDerWaalsContact C-N 3.31Å; A32-S34 PolarHBondContact O-N 2.9Å; A32-V35 PolarHBondContact O-N 3.33Å; A32-L36 WeakPolarHBondContact O-CB 3.24Å; A32-L36 VanDerWaalsContact O-CG 3.26Å; A32-L36 WeakPolarHBondContact O-CG 3.32Å; A32-L36 PolarHBondContact O-N 2.86Å; A32-L53 HydrophobicContact CB-CD1 4.04Å; A32-L53 HydrophobicContact CB-CD2 4.32Å; A32-E57 WeakPolarHBondContact CB-OE1 3.27Å; A32-W103 VanDerWaalsContact CA-CH2 3.46Å; A32-W103 HydrophobicContact CB-CH2 3.84Å; A32-W103 HydrophobicContact CB-CZ3 4.22Å
33K94.2Very high92.8Very high68 Ų6833.8 Ų33.830%0.29619%0.188SC..Hα-helixtrans-54.2-45.6174.5173166-179.9154.20112.5L4 W12 E25 S29 Q31 T37L4-K33 HydrophobicContact CD1-CG 4.44Å; W12-K33 HydrophobicContact CD2-CD 4.16Å; W12-K33 HydrophobicContact CD2-CG 3.72Å; W12-K33 HydrophobicContact CE3-CG 4.06Å; W12-K33 HydrophobicContact CG-CD 4.4Å; W12-K33 HydrophobicContact CG-CG 4.26Å; W12-K33 HydrophobicContact CH2-CB 4.24Å; W12-K33 HydrophobicContact CH2-CG 4.16Å; W12-K33 HydrophobicContact CZ2-CB 4.2Å; W12-K33 HydrophobicContact CZ2-CD 4.06Å; W12-K33 HydrophobicContact CZ2-CG 3.84Å; W12-K33 HydrophobicContact CZ3-CG 4.27Å; E25-K33 IonicContact OE1-NZ 3.17Å; E25-K33 PolarHBondContact OE1-NZ 3.24Å; S29-K33 PolarHBondContact O-N 2.95Å; Q31-K33 VanDerWaalsContact C-N 3.29Å; Q31-K33 PolarHBondContact O-N 3.44Å; K33-T37 WeakPolarHBondContact O-CB 3.41Å; K33-T37 PolarHBondContact O-N 3.33Å; K33-T37 PolarHBondContact O-OG1 3.41Å
34S95.2Very high93.1Very high1 Ų138.7 Ų38.71%0.00721%0.214CC..Hα-helixtrans-72.2-38.5-176.768.40000112.6M1 A30 Q31 A32 T37 F38 L107 W407M1-S34 PolarHBondContact SD-OG 3.49Å; A30-S34 PolarHBondContact O-N 3.32Å; Q31-S34 PolarHBondContact O-N 3.34Å; Q31-S34 PolarHBondContact O-OG 3Å; A32-S34 VanDerWaalsContact C-N 3.31Å; A32-S34 PolarHBondContact O-N 2.9Å; S34-T37 PolarHBondContact O-N 3.49Å; S34-F38 WeakPolarHBondContact O-CB 3.48Å; S34-F38 PolarHBondContact O-N 3.13Å; S34-L107 WeakPolarHBondContact OG-CD2 3.34Å; S34-W407 VanDerWaalsContact CB-CH2 3.48Å
35V96Very high93.6Very high0 Ų037.6 Ų37.60%020%0.204CC..Hα-helixtrans-65.8-45.7175.4-177.60000111.5Q31 A32 T37 F38 S39 V42 W103 T106 L107Q31-V35 WeakPolarHBondContact O-CG2 3.39Å; Q31-V35 PolarHBondContact O-N 3.19Å; A32-V35 PolarHBondContact O-N 3.33Å; V35-T37 VanDerWaalsContact C-N 3.26Å; V35-T37 PolarHBondContact O-N 3.43Å; V35-F38 PolarHBondContact O-N 2.99Å; V35-S39 PolarHBondContact O-N 3.2Å; V35-V42 HydrophobicContact CG1-CB 4.26Å; V35-V42 HydrophobicContact CG1-CG1 3.93Å; V35-V42 HydrophobicContact CG1-CG2 4.15Å; V35-W103 HydrophobicContact CB-CE3 3.83Å; V35-W103 HydrophobicContact CB-CZ3 3.99Å; V35-W103 HydrophobicContact CG1-CE3 3.84Å; V35-W103 HydrophobicContact CG1-CZ3 4.41Å; V35-W103 HydrophobicContact CG2-CD2 4.01Å; V35-W103 HydrophobicContact CG2-CE3 3.67Å; V35-W103 HydrophobicContact CG2-CZ3 3.98Å; V35-T106 HydrophobicContact CG2-CG2 4.12Å; V35-L107 HydrophobicContact CG2-CD1 3.8Å; V35-L107 HydrophobicContact CG2-CD2 3.84Å; V35-L107 HydrophobicContact CG2-CG 3.61Å
36L95.7Very high94Very high0 Ų033.6 Ų33.60%019%0.186CC..Hα-helixtrans-66.3-27.6177.6-67.1173.2000113W12 L19 L28 A32 V42 Q43 V46 L53W12-L36 HydrophobicContact CH2-CD1 4.46Å; W12-L36 HydrophobicContact CZ3-CB 3.85Å; W12-L36 HydrophobicContact CZ3-CD1 4.43Å; L19-L36 HydrophobicContact CD1-CD1 4.41Å; L28-L36 HydrophobicContact CD1-CD1 4.12Å; L28-L36 HydrophobicContact CD2-CD1 4.44Å; A32-L36 WeakPolarHBondContact O-CB 3.24Å; A32-L36 VanDerWaalsContact O-CG 3.26Å; A32-L36 WeakPolarHBondContact O-CG 3.32Å; A32-L36 PolarHBondContact O-N 2.86Å; L36-V42 HydrophobicContact CD2-CG1 4.15Å; L36-Q43 HydrophobicContact CD2-CB 4.26Å; L36-V46 HydrophobicContact CD2-CG2 3.64Å; L36-L53 HydrophobicContact CD1-CD2 4.46Å
37T96.2Very high94.3Very high1 Ų128.3 Ų28.31%0.00616%0.162CC..Hα-helixtrans-71.7-35.6171.6-56.90000111.3L4 L8 Y11 W12 K33 S34 V35 R404L4-T37 HydrophobicContact CD1-CG2 4.26Å; L4-T37 HydrophobicContact CD2-CG2 4.42Å; L8-T37 HydrophobicContact CB-CG2 3.94Å; L8-T37 HydrophobicContact CD2-CG2 4.31Å; L8-T37 WeakPolarHBondContact O-CG2 3.17Å; Y11-T37 HydrophobicContact CD1-CG2 4.17Å; W12-T37 HydrophobicContact CB-CG2 4.38Å; W12-T37 VanDerWaalsContact CE3-OG1 3.23Å; K33-T37 WeakPolarHBondContact O-CB 3.41Å; K33-T37 PolarHBondContact O-N 3.33Å; K33-T37 PolarHBondContact O-OG1 3.41Å; S34-T37 PolarHBondContact O-N 3.49Å; V35-T37 VanDerWaalsContact C-N 3.26Å; V35-T37 PolarHBondContact O-N 3.43Å; T37-R404 PolarHBondContact O-NE 2.92Å; T37-R404 PolarHBondContact O-NH2 2.99Å
38F96.9Very high94.6Very high2 Ų228 Ų281%0.00916%0.164CC..Hα-helixtrans-78.9-45.6-175.5177-95.7000113.3S34 V35 T106 L383 I387 R404 W407 A408S34-F38 WeakPolarHBondContact O-CB 3.48Å; S34-F38 PolarHBondContact O-N 3.13Å; V35-F38 PolarHBondContact O-N 2.99Å; F38-T106 HydrophobicContact CB-CG2 3.78Å; F38-T106 HydrophobicContact CD1-CG2 3.61Å; F38-T106 VanDerWaalsContact CD1-OG1 3.24Å; F38-T106 WeakPolarHBondContact CD1-OG1 3.38Å; F38-T106 HydrophobicContact CD2-CG2 4.46Å; F38-T106 HydrophobicContact CE1-CG2 4.38Å; F38-T106 HydrophobicContact CG-CG2 3.68Å; F38-L383 HydrophobicContact CE1-CD2 3.92Å; F38-L383 HydrophobicContact CE2-CD2 4.49Å; F38-L383 HydrophobicContact CZ-CB 3.96Å; F38-L383 HydrophobicContact CZ-CD2 3.68Å; F38-L383 HydrophobicContact CZ-CG 4.39Å; F38-L383 WeakPolarHBondContact CZ-O 3.1Å; F38-I387 HydrophobicContact CE1-CG1 4.28Å; F38-I387 HydrophobicContact CE2-CG1 4.48Å; F38-I387 HydrophobicContact CZ-CG1 4.01Å; F38-R404 HydrophobicContact CD2-CB 3.75Å; F38-R404 HydrophobicContact CD2-CG 4.28Å; F38-R404 HydrophobicContact CE2-CB 3.89Å; F38-R404 WeakPolarHBondContact CE2-O 3.21Å; F38-R404 VanDerWaalsContact O-CD 3.3Å; F38-R404 WeakPolarHBondContact O-CD 3.35Å; F38-R404 PolarHBondContact O-NE 3.03Å; F38-W407 HydrophobicContact CB-CZ3 4.24Å; F38-W407 HydrophobicContact CD2-CE3 4.29Å; F38-W407 HydrophobicContact CD2-CZ3 4.4Å; F38-W407 HydrophobicContact CG-CZ3 4.49Å; F38-A408 HydrophobicContact CD2-CB 3.85Å; F38-A408 HydrophobicContact CE2-CB 3.43Å; F38-A408 VanDerWaalsContact CE2-CB 3.43Å; F38-A408 HydrophobicContact CZ-CB 4.01Å
39S97Very high94.9Very high0 Ų028.7 Ų28.70%017%0.167CC..  trans-119.8115.2-170175.40000112.3V35 F41 V42 Q43 S386V35-S39 PolarHBondContact O-N 3.2Å; S39-F41 VanDerWaalsContact C-N 3.3Å; S39-F41 PolarHBondContact OG-N 3.17Å; S39-V42 PolarHBondContact O-N 3.38Å; S39-V42 WeakPolarHBondContact OG-CG2 3.32Å; S39-V42 PolarHBondContact OG-N 3.5Å; S39-Q43 PolarHBondContact O-N 2.98Å; S39-Q43 VanDerWaalsContact O-N 3.12Å; S39-S386 WeakPolarHBondContact CB-O 3.22Å; S39-S386 PolarHBondContact OG-O 2.87Å
40D96.2Very high94.9Very high23 Ų2328.1 Ų28.112%0.12316%0.162CC..Hα-helixtrans-69.8-32.3171.8-53.9-42.5000110.3Y11 V42 Q43 D44 I387 N388 R404Y11-D40 PolarHBondContact OH-OD1 2.87Å; D40-V42 PolarHBondContact O-N 3.09Å; D40-Q43 WeakPolarHBondContact O-CB 3.38Å; D40-Q43 PolarHBondContact O-N 3.15Å; D40-D44 PolarHBondContact O-N 3.4Å; D40-I387 PolarHBondContact N-O 3.42Å; D40-N388 PolarHBondContact OD2-ND2 2.91Å; D40-N388 VanDerWaalsContact OD2-ND2 3.16Å; D40-R404 IonicContact OD1-CZ 3.07Å; D40-R404 IonicContact OD1-NH1 2.68Å; D40-R404 IonicContact OD1-NH2 3.45Å; D40-R404 PolarHBondContact OD1-NH2 3.22Å; D40-R404 IonicContact OD2-CZ 2.78Å; D40-R404 IonicContact OD2-NH1 2.77Å; D40-R404 PolarHBondContact OD2-NH1 3.5Å; D40-R404 IonicContact OD2-NH2 2.68Å; D40-R404 PolarHBondContact OD2-NH2 3.44Å
41F96.2Very high94.9Very high17 Ų1729.5 Ų29.58%0.07516%0.155CC..Hα-helixtrans-58.6-45.7172.4162.7-102.9000112.6S39 S45 R95 M98 V99 F170 I387 D389S39-F41 VanDerWaalsContact C-N 3.3Å; S39-F41 PolarHBondContact OG-N 3.17Å; F41-S45 VanDerWaalsContact O-CB 3.28Å; F41-S45 WeakPolarHBondContact O-CB 3.47Å; F41-S45 PolarHBondContact O-N 3.04Å; F41-S45 VanDerWaalsContact O-N 3.1Å; F41-S45 PolarHBondContact O-OG 3.26Å; F41-R95 HydrophobicContact CE2-CG 4.29Å; F41-R95 HydrophobicContact CZ-CG 4.31Å; F41-M98 HydrophobicContact CE1-CB 4.18Å; F41-M98 HydrophobicContact CE1-CG 3.86Å; F41-M98 HydrophobicContact CZ-CB 3.88Å; F41-M98 HydrophobicContact CZ-CG 3.8Å; F41-V99 HydrophobicContact CE1-CG2 3.88Å; F41-V99 HydrophobicContact CZ-CG2 3.95Å; F41-F170 HydrophobicContact CD1-CE1 4.29Å; F41-F170 AromaticContact CD1-CZ 3.98Å; F41-F170 HydrophobicContact CD1-CZ 3.98Å; F41-F170 HydrophobicContact CE1-CE1 4.4Å; F41-F170 AromaticContact CE1-CZ 3.9Å; F41-F170 HydrophobicContact CE1-CZ 3.9Å; F41-I387 PolarHBondContact N-O 2.99Å; F41-D389 HydrophobicContact CB-CB 4.31Å; F41-D389 HydrophobicContact CD2-CB 3.66Å; F41-D389 HydrophobicContact CE2-CB 4.2Å; F41-D389 HydrophobicContact CG-CB 3.98Å
42V96.7Very high95Very high0 Ų026 Ų260%014%0.138CC..Hα-helixtrans-66.1-42.9176.2174.20000109.8V35 L36 S39 D40 S45 V46 V99 A102V35-V42 HydrophobicContact CG1-CB 4.26Å; V35-V42 HydrophobicContact CG1-CG1 3.93Å; V35-V42 HydrophobicContact CG1-CG2 4.15Å; L36-V42 HydrophobicContact CD2-CG1 4.15Å; S39-V42 PolarHBondContact O-N 3.38Å; S39-V42 WeakPolarHBondContact OG-CG2 3.32Å; S39-V42 PolarHBondContact OG-N 3.5Å; D40-V42 PolarHBondContact O-N 3.09Å; V42-S45 PolarHBondContact O-N 2.65Å; V42-V46 HydrophobicContact CG1-CG1 4.18Å; V42-V46 WeakPolarHBondContact O-CG1 3.33Å; V42-V46 WeakPolarHBondContact O-CG2 3.27Å; V42-V46 PolarHBondContact O-N 3.41Å; V42-V99 HydrophobicContact CG1-CG1 4.24Å; V42-A102 HydrophobicContact CG2-CB 3.63Å
43Q94.9Very high95Very high15 Ų1526.2 Ų26.27%0.0714%0.139CC..Hα-helixtrans-54.3-55.3176.6-176.2-176.213.700111.6L36 S39 D40 S45 V46 I47L36-Q43 HydrophobicContact CD2-CB 4.26Å; S39-Q43 PolarHBondContact O-N 2.98Å; S39-Q43 VanDerWaalsContact O-N 3.12Å; D40-Q43 WeakPolarHBondContact O-CB 3.38Å; D40-Q43 PolarHBondContact O-N 3.15Å; Q43-S45 VanDerWaalsContact C-N 3.25Å; Q43-S45 PolarHBondContact O-N 2.82Å; Q43-V46 WeakPolarHBondContact O-CG2 3.35Å; Q43-V46 PolarHBondContact O-N 3.43Å; Q43-I47 HydrophobicContact CG-CD1 3.8Å; Q43-I47 WeakPolarHBondContact O-CB 3.48Å; Q43-I47 WeakPolarHBondContact O-CG1 3.42Å; Q43-I47 PolarHBondContact O-N 3.02Å
44D94.2Very high94.7Very high108 Ų10827.3 Ų27.358%0.57815%0.152SC*.Hα-helixtrans-61.5-36.8-179.2-71.5-20000112D40 A48D40-D44 PolarHBondContact O-N 3.4Å; D44-A48 PolarHBondContact O-N 3.33Å
45S95.1Very high94.6Very high5 Ų529.2 Ų29.24%0.03516%0.161CC..Hα-helixtrans-69-44.4-180-64.80000112.9F41 V42 Q43 A48 H49F41-S45 VanDerWaalsContact O-CB 3.28Å; F41-S45 WeakPolarHBondContact O-CB 3.47Å; F41-S45 PolarHBondContact O-N 3.04Å; F41-S45 VanDerWaalsContact O-N 3.1Å; F41-S45 PolarHBondContact O-OG 3.26Å; V42-S45 PolarHBondContact O-N 2.65Å; Q43-S45 VanDerWaalsContact C-N 3.25Å; Q43-S45 PolarHBondContact O-N 2.82Å; S45-A48 PolarHBondContact O-N 2.95Å; S45-H49 PolarHBondContact O-N 3.49Å
46V94.8Very high94.6Very high0 Ų029.3 Ų29.30%016%0.161CC..Hα-helixtrans-77.4-23178.6-57.20000112.5L23 L36 V42 Q43 A48 H49 P50 L53 V99L23-V46 HydrophobicContact CD1-CB 4.42Å; L23-V46 HydrophobicContact CD1-CG2 3.95Å; L36-V46 HydrophobicContact CD2-CG2 3.64Å; V42-V46 HydrophobicContact CG1-CG1 4.18Å; V42-V46 WeakPolarHBondContact O-CG1 3.33Å; V42-V46 WeakPolarHBondContact O-CG2 3.27Å; V42-V46 PolarHBondContact O-N 3.41Å; Q43-V46 WeakPolarHBondContact O-CG2 3.35Å; Q43-V46 PolarHBondContact O-N 3.43Å; V46-A48 VanDerWaalsContact C-N 3.3Å; V46-H49 CarbonylContact O-C 3.59Å; V46-H49 PolarHBondContact O-N 3.39Å; V46-P50 WeakPolarHBondContact O-CA 3.12Å; V46-P50 WeakPolarHBondContact O-CD 3.38Å; V46-P50 WeakPolarHBondContact O-CG 3.49Å; V46-L53 HydrophobicContact CB-CB 4.46Å; V46-L53 HydrophobicContact CG1-CB 4.21Å; V46-V99 HydrophobicContact CG1-CG1 4.44Å
47I93.4Very high94.3Very high62 Ų6232.8 Ų32.832%0.31818%0.177SC..Hα-helixtrans-63.1-41.4169.3-75.7170.6000110.1P20 Q43P20-I47 HydrophobicContact CG-CB 4.41Å; P20-I47 HydrophobicContact CG-CG1 4.14Å; P20-I47 HydrophobicContact CG-CG2 4.17Å; Q43-I47 HydrophobicContact CG-CD1 3.8Å; Q43-I47 WeakPolarHBondContact O-CB 3.48Å; Q43-I47 WeakPolarHBondContact O-CG1 3.42Å; Q43-I47 PolarHBondContact O-N 3.02Å
48A92.5Very high94.2Very high60 Ų6037.3 Ų37.350%0.49621%0.209SC..Hα-helixtrans-75.7-32176.400000113.1D44 S45 V46D44-A48 PolarHBondContact O-N 3.33Å; S45-A48 PolarHBondContact O-N 2.95Å; V46-A48 VanDerWaalsContact C-N 3.3Å
49H94.3Very high94Very high38 Ų3842 Ų4218%0.17623%0.231CC..  trans-134.874.4-177.3-62.5-77.3000111.7S45 V46 E51 W52 L92S45-H49 PolarHBondContact O-N 3.49Å; V46-H49 CarbonylContact O-C 3.59Å; V46-H49 PolarHBondContact O-N 3.39Å; H49-E51 WeakPolarHBondContact CA-OE2 3.36Å; H49-E51 IonicContact CG-OE1 3.42Å; H49-E51 IonicContact ND1-OE1 3.78Å; H49-E51 PolarHBondContact ND1-OE1 3.01Å; H49-E51 PolarHBondContact O-N 2.84Å; H49-E51 VanDerWaalsContact O-N 3.12Å; H49-W52 HydrophobicContact CB-CD2 3.43Å; H49-W52 VanDerWaalsContact CB-CD2 3.43Å; H49-W52 VanDerWaalsContact CB-CE2 3.45Å; H49-W52 HydrophobicContact CB-CE3 3.74Å; H49-W52 HydrophobicContact CB-CG 3.9Å; H49-W52 HydrophobicContact CB-CH2 4.09Å; H49-W52 HydrophobicContact CB-CZ2 3.8Å; H49-W52 HydrophobicContact CB-CZ3 4.05Å; H49-W52 AromaticContact CD2-CH2 3.36Å; H49-W52 WeakPolarHBondContact CD2-CH2 3.41Å; H49-W52 AromaticContact CD2-CZ2 3.57Å; H49-W52 AromaticContact CD2-CZ3 3.81Å; H49-W52 AromaticContact CG-CE2 3.67Å; H49-W52 AromaticContact CG-CH2 3.74Å; H49-W52 AromaticContact CG-CZ2 3.49Å; H49-W52 VanDerWaalsContact CG-CZ2 3.49Å; H49-W52 AromaticContact ND1-CZ2 3.98Å; H49-W52 WeakPolarHBondContact O-CB 3.19Å; H49-W52 PolarHBondContact O-N 3.28Å; H49-W52 VanDerWaalsContact O-N 3.1Å; H49-L92 WeakPolarHBondContact NE2-CD1 3.5Å
50P93Very high93.8Very high26 Ų2645 Ų4517%0.16925%0.25CS..THydrogen-bonded Turntrans-58.7-28-176.1-24.734.7000113.6P22 L23 V46 W52 L53P22-P50 HydrophobicContact CG-CB 3.93Å; L23-P50 HydrophobicContact CD2-CB 4.19Å; L23-P50 HydrophobicContact CG-CB 4.31Å; V46-P50 WeakPolarHBondContact O-CA 3.12Å; V46-P50 WeakPolarHBondContact O-CD 3.38Å; V46-P50 WeakPolarHBondContact O-CG 3.49Å; P50-W52 PolarHBondContact O-N 3.34Å; P50-L53 PolarHBondContact O-N 3.34Å
51E93.3Very high93.8Very high105 Ų10544.1 Ų44.149%0.49125%0.246SC..Hα-helixtrans-58.2-28.3177.665.5-84.1-164.700113.4H49 L53 T54 E55H49-E51 WeakPolarHBondContact CA-OE2 3.36Å; H49-E51 IonicContact CG-OE1 3.42Å; H49-E51 IonicContact ND1-OE1 3.78Å; H49-E51 PolarHBondContact ND1-OE1 3.01Å; H49-E51 PolarHBondContact O-N 2.84Å; H49-E51 VanDerWaalsContact O-N 3.12Å; E51-L53 VanDerWaalsContact C-N 3.32Å; E51-L53 PolarHBondContact O-N 3.4Å; E51-T54 PolarHBondContact O-N 3.09Å; E51-E55 WeakPolarHBondContact O-CB 3.47Å; E51-E55 PolarHBondContact O-N 3.14Å
52W95.5Very high93.8Very high16 Ų1648.8 Ų48.86%0.06127%0.268CS..Hα-helixtrans-68-33.4-179.9-64.8-9.3000112.5H49 P50 E55 L56 L92 R95 R96 V99H49-W52 HydrophobicContact CB-CD2 3.43Å; H49-W52 VanDerWaalsContact CB-CD2 3.43Å; H49-W52 VanDerWaalsContact CB-CE2 3.45Å; H49-W52 HydrophobicContact CB-CE3 3.74Å; H49-W52 HydrophobicContact CB-CG 3.9Å; H49-W52 HydrophobicContact CB-CH2 4.09Å; H49-W52 HydrophobicContact CB-CZ2 3.8Å; H49-W52 HydrophobicContact CB-CZ3 4.05Å; H49-W52 AromaticContact CD2-CH2 3.36Å; H49-W52 WeakPolarHBondContact CD2-CH2 3.41Å; H49-W52 AromaticContact CD2-CZ2 3.57Å; H49-W52 AromaticContact CD2-CZ3 3.81Å; H49-W52 AromaticContact CG-CE2 3.67Å; H49-W52 AromaticContact CG-CH2 3.74Å; H49-W52 AromaticContact CG-CZ2 3.49Å; H49-W52 VanDerWaalsContact CG-CZ2 3.49Å; H49-W52 AromaticContact ND1-CZ2 3.98Å; H49-W52 WeakPolarHBondContact O-CB 3.19Å; H49-W52 PolarHBondContact O-N 3.28Å; H49-W52 VanDerWaalsContact O-N 3.1Å; P50-W52 PolarHBondContact O-N 3.34Å; W52-E55 PolarHBondContact O-N 3.5Å; W52-L56 WeakPolarHBondContact O-CB 3.46Å; W52-L56 VanDerWaalsContact O-CG 3.31Å; W52-L56 WeakPolarHBondContact O-CG 3.39Å; W52-L56 PolarHBondContact O-N 3.29Å; W52-L92 HydrophobicContact CH2-CD1 3.96Å; W52-L92 HydrophobicContact CZ2-CD1 3.66Å; W52-L92 HydrophobicContact CZ2-CG 4.32Å; W52-R95 HydrophobicContact CH2-CB 4.12Å; W52-R95 HydrophobicContact CH2-CG 4Å; W52-R95 HydrophobicContact CZ3-CB 4.41Å; W52-R95 HydrophobicContact CZ3-CG 3.87Å; W52-R96 HydrophobicContact CD2-CB 4.35Å; W52-R96 HydrophobicContact CD2-CG 4.16Å; W52-R96 HydrophobicContact CG-CG 4.4Å; W52-R96 HydrophobicContact CH2-CB 4.03Å; W52-R96 HydrophobicContact CZ2-CB 3.69Å; W52-R96 HydrophobicContact CZ2-CG 4.18Å; W52-R96 HydrophobicContact CZ3-CB 4.5Å; W52-V99 HydrophobicContact CE3-CB 4.45Å; W52-V99 HydrophobicContact CE3-CG2 4.1Å; W52-V99 HydrophobicContact CZ3-CG2 4.14Å
53L93.2Very high93.7Very high4 Ų450.7 Ų50.72%0.02128%0.284CS..Hα-helixtrans-69.4-43.1177.6-172.863.7000110.9L23 L28 A32 L36 V46 P50 E51 E55 L56 E57 W103L23-L53 HydrophobicContact CD2-CB 4.39Å; L23-L53 HydrophobicContact CD2-CD2 3.68Å; L28-L53 HydrophobicContact CD2-CD2 3.39Å; A32-L53 HydrophobicContact CB-CD1 4.04Å; A32-L53 HydrophobicContact CB-CD2 4.32Å; L36-L53 HydrophobicContact CD1-CD2 4.46Å; V46-L53 HydrophobicContact CB-CB 4.46Å; V46-L53 HydrophobicContact CG1-CB 4.21Å; P50-L53 PolarHBondContact O-N 3.34Å; E51-L53 VanDerWaalsContact C-N 3.32Å; E51-L53 PolarHBondContact O-N 3.4Å; L53-E55 VanDerWaalsContact C-N 3.31Å; L53-E55 PolarHBondContact O-N 2.94Å; L53-L56 WeakPolarHBondContact O-CB 3.44Å; L53-L56 PolarHBondContact O-N 3.18Å; L53-E57 PolarHBondContact O-N 2.87Å; L53-E57 VanDerWaalsContact O-N 3.09Å; L53-W103 HydrophobicContact CD1-CE3 4.29Å; L53-W103 HydrophobicContact CD1-CH2 3.79Å; L53-W103 HydrophobicContact CD1-CZ3 3.37Å
54T89.5Confident93.8Very high90 Ų9053.3 Ų53.355%0.55230%0.298SS*.Hα-helixtrans-61.4-41.4174.8-50.10000111.3E51 E57 S58E51-T54 PolarHBondContact O-N 3.09Å; T54-E57 PolarHBondContact O-N 3.13Å; T54-S58 WeakPolarHBondContact O-CB 3.44Å; T54-S58 PolarHBondContact O-N 3.07Å; T54-S58 PolarHBondContact O-OG 2.69Å
55E93Very high94Very high42 Ų4248.5 Ų48.520%0.19627%0.272CS..Hα-helixtrans-61.1-45.6175.5-173.6-172.7146.700111.6E51 W52 L53 E57 S58 Q59 R96 R100E51-E55 WeakPolarHBondContact O-CB 3.47Å; E51-E55 PolarHBondContact O-N 3.14Å; W52-E55 PolarHBondContact O-N 3.5Å; L53-E55 VanDerWaalsContact C-N 3.31Å; L53-E55 PolarHBondContact O-N 2.94Å; E55-E57 VanDerWaalsContact C-N 3.33Å; E55-E57 PolarHBondContact O-N 3.4Å; E55-S58 WeakPolarHBondContact CA-OG 3.48Å; E55-S58 PolarHBondContact O-N 3.33Å; E55-S58 PolarHBondContact O-OG 2.9Å; E55-Q59 PolarHBondContact O-N 2.98Å; E55-R96 IonicContact OE1-CZ 2.89Å; E55-R96 IonicContact OE1-NE 2.68Å; E55-R96 IonicContact OE1-NH2 3.27Å; E55-R96 PolarHBondContact OE1-NH2 2.96Å; E55-R96 IonicContact OE2-CZ 3.6Å; E55-R96 IonicContact OE2-NE 3.79Å; E55-R96 PolarHBondContact OE2-NE 3.48Å; E55-R96 IonicContact OE2-NH2 2.89Å; E55-R96 PolarHBondContact OE2-NH2 3.13Å; E55-R100 IonicContact OE1-NH1 3.59Å; E55-R100 PolarHBondContact OE1-NH1 3.24Å; E55-R100 VanDerWaalsContact OE1-NH1 3.14Å
56L94.6Very high94.1Very high1 Ų151.1 Ų51.11%0.00528%0.281CS..Hα-helixtrans-60.8-39178.8-82.5169.9000113.4W52 L53 Q59 P60 P61 V99 R100 W103W52-L56 WeakPolarHBondContact O-CB 3.46Å; W52-L56 VanDerWaalsContact O-CG 3.31Å; W52-L56 WeakPolarHBondContact O-CG 3.39Å; W52-L56 PolarHBondContact O-N 3.29Å; L53-L56 WeakPolarHBondContact O-CB 3.44Å; L53-L56 PolarHBondContact O-N 3.18Å; L56-Q59 CarbonylContact O-C 3.46Å; L56-P60 VanDerWaalsContact O-CA 3.28Å; L56-P60 WeakPolarHBondContact O-CA 3.33Å; L56-P61 HydrophobicContact CD2-CG 4.26Å; L56-V99 HydrophobicContact CD1-CG1 3.97Å; L56-R100 HydrophobicContact CD2-CB 4.19Å; L56-R100 HydrophobicContact CD2-CG 3.89Å; L56-W103 HydrophobicContact CB-CD2 4.33Å; L56-W103 HydrophobicContact CD1-CB 4.12Å; L56-W103 HydrophobicContact CD1-CD2 3.87Å; L56-W103 HydrophobicContact CD1-CE3 3.77Å; L56-W103 HydrophobicContact CD1-CG 4.04Å; L56-W103 HydrophobicContact CD1-CZ3 4.43Å; L56-W103 HydrophobicContact CD2-CB 4.08Å; L56-W103 HydrophobicContact CD2-CD2 4.3Å; L56-W103 HydrophobicContact CD2-CG 3.86Å; L56-W103 HydrophobicContact CG-CD2 4.42Å; L56-W103 HydrophobicContact CG-CG 4.45Å
57E90.7Very high94.2Very high73 Ų7356.4 Ų56.434%0.34131%0.306SS..Hα-helixtrans-73.9-36.1176.5-68.4-171.9158.800111.9S29 A32 L53 T54 E55 W103S29-E57 WeakPolarHBondContact CB-OE1 3.27Å; S29-E57 PolarHBondContact N-OE1 3.33Å; S29-E57 VanDerWaalsContact N-OE1 3.16Å; S29-E57 PolarHBondContact OG-OE1 2.82Å; A32-E57 WeakPolarHBondContact CB-OE1 3.27Å; L53-E57 PolarHBondContact O-N 2.87Å; L53-E57 VanDerWaalsContact O-N 3.09Å; T54-E57 PolarHBondContact O-N 3.13Å; E55-E57 VanDerWaalsContact C-N 3.33Å; E55-E57 PolarHBondContact O-N 3.4Å; E57-W103 HydrophobicContact CG-CH2 4.39Å; E57-W103 HydrophobicContact CG-CZ2 4.49Å
58S92.3Very high94.4Very high96 Ų9657.7 Ų57.767%0.67131%0.311SS*.Hα-helixtrans-74.6-34178.473.30000113.6T54 E55T54-S58 WeakPolarHBondContact O-CB 3.44Å; T54-S58 PolarHBondContact O-N 3.07Å; T54-S58 PolarHBondContact O-OG 2.69Å; E55-S58 WeakPolarHBondContact CA-OG 3.48Å; E55-S58 PolarHBondContact O-N 3.33Å; E55-S58 PolarHBondContact O-OG 2.9Å
59Q93.9Very high94.6Very high101 Ų10154.8 Ų54.847%0.47229%0.287SS..SBendtrans-14182.4-179.4-171.8179.3-4.100109.6E55 L56 R100E55-Q59 PolarHBondContact O-N 2.98Å; L56-Q59 CarbonylContact O-C 3.46Å; Q59-R100 PolarHBondContact O-NH2 3.38Å
60P93.1Very high94.7Very high62 Ų6255.2 Ų55.240%0.40330%0.297SS..  trans-57144176.8-25.734.8000112L56 L109L56-P60 VanDerWaalsContact O-CA 3.28Å; L56-P60 WeakPolarHBondContact O-CA 3.33Å; P60-L109 HydrophobicContact CB-CD1 4.5Å
61P95Very high94.9Very high6 Ų657 Ų574%0.03931%0.314CS..  trans-65.5135.4-178.426.6-34.2000111.6L56 E65 R100 A104 L109L56-P61 HydrophobicContact CD2-CG 4.26Å; P61-E65 WeakPolarHBondContact CA-OE2 3.25Å; P61-R100 HydrophobicContact CB-CB 4.47Å; P61-A104 HydrophobicContact CB-CB 4.24Å; P61-A104 HydrophobicContact CG-CB 3.68Å; P61-L109 HydrophobicContact CG-CD1 4.28Å
62Q96.4Very high95.1Very high115 Ų11555.2 Ų55.254%0.53730%0.303SS..  trans-105160.3178.1-62.2-178.23500110.8D64 E65 Q118Q62-D64 VanDerWaalsContact C-N 3.27Å; Q62-D64 WeakPolarHBondContact CB-OD1 3.43Å; Q62-D64 PolarHBondContact O-N 2.73Å; Q62-E65 VanDerWaalsContact O-CB 3.31Å; Q62-E65 WeakPolarHBondContact O-CB 3.39Å; Q62-E65 PolarHBondContact O-N 3.17Å; Q62-Q118 PolarHBondContact O-NE2 3.26Å
63A96.1Very high95.2Very high40 Ų4054.5 Ų54.533%0.33130%0.3SS..THydrogen-bonded Turntrans-61.5-35.5-174.800000113W66 V110 Q118A63-W66 VanDerWaalsContact O-CD1 3.25Å; A63-V110 HydrophobicContact CB-CB 4.2Å; A63-V110 HydrophobicContact CB-CG1 3.86Å; A63-Q118 PolarHBondContact O-NE2 3.2Å
64D96.6Very high95.4Very high70 Ų7059 Ų5937%0.37432%0.321SS..THydrogen-bonded Turntrans-90.54.5-177.259.7-18.7000114.3Q62 W66 Q67Q62-D64 VanDerWaalsContact C-N 3.27Å; Q62-D64 WeakPolarHBondContact CB-OD1 3.43Å; Q62-D64 PolarHBondContact O-N 2.73Å; D64-W66 PolarHBondContact O-N 2.82Å; D64-Q67 WeakPolarHBondContact O-CB 3.45Å; D64-Q67 WeakPolarHBondContact O-CG 3.35Å; D64-Q67 PolarHBondContact O-N 3.07Å
65E96.9Very high95.7Very high7 Ų761.6 Ų61.63%0.03333%0.327CS..G310 helixtrans-55.3-28.1-177.2-169179.599.100113.7P61 Q62 Q67 H68 Y69 W72 R100P61-E65 WeakPolarHBondContact CA-OE2 3.25Å; Q62-E65 VanDerWaalsContact O-CB 3.31Å; Q62-E65 WeakPolarHBondContact O-CB 3.39Å; Q62-E65 PolarHBondContact O-N 3.17Å; E65-Q67 PolarHBondContact O-N 3.14Å; E65-Q67 VanDerWaalsContact O-N 3.08Å; E65-H68 WeakPolarHBondContact O-CB 3.18Å; E65-H68 PolarHBondContact O-N 3.02Å; E65-Y69 HydrophobicContact CB-CE1 4.4Å; E65-Y69 HydrophobicContact CG-CE1 3.91Å; E65-Y69 WeakPolarHBondContact O-CD1 3.26Å; E65-W72 HydrophobicContact CG-CH2 3.47Å; E65-W72 VanDerWaalsContact CG-CH2 3.47Å; E65-W72 HydrophobicContact CG-CZ3 3.75Å; E65-R100 VanDerWaalsContact CD-NE 3.34Å; E65-R100 IonicContact OE1-CZ 3.62Å; E65-R100 IonicContact OE1-NE 2.79Å; E65-R100 PolarHBondContact OE1-NE 2.79Å; E65-R100 IonicContact OE1-NH2 2.65Å; E65-R100 IonicContact OE2-CZ 3.52Å; E65-R100 IonicContact OE2-NE 3.59Å; E65-R100 PolarHBondContact OE2-NE 2.93Å; E65-R100 IonicContact OE2-NH2 2.66Å; E65-R100 PolarHBondContact OE2-NH2 3.33Å
66W97.3Very high95.8Very high59 Ų5961.3 Ų61.322%0.22333%0.332CS..G310 helixtrans-56.3-25.4177.561.6-93.9000113.8A63 D64 H68 Y69 Q117 Q118 Y121A63-W66 VanDerWaalsContact O-CD1 3.25Å; D64-W66 PolarHBondContact O-N 2.82Å; W66-H68 PolarHBondContact O-N 3.4Å; W66-Y69 HydrophobicContact CB-CD2 3.98Å; W66-Y69 HydrophobicContact CB-CE2 3.73Å; W66-Y69 PolarHBondContact O-N 3.11Å; W66-Q117 HydrophobicContact CD2-CG 4.11Å; W66-Q117 HydrophobicContact CG-CG 4.14Å; W66-Q117 HydrophobicContact CZ2-CG 4.36Å; W66-Q118 HydrophobicContact CB-CG 4.16Å; W66-Y121 HydrophobicContact CB-CD1 4.11Å; W66-Y121 HydrophobicContact CB-CG 4.25Å; W66-Y121 HydrophobicContact CD2-CD1 4.44Å; W66-Y121 HydrophobicContact CD2-CG 4.3Å; W66-Y121 AromaticContact CE3-CD1 3.6Å; W66-Y121 HydrophobicContact CE3-CD1 3.6Å; W66-Y121 AromaticContact CE3-CD2 3.66Å; W66-Y121 HydrophobicContact CE3-CD2 3.66Å; W66-Y121 AromaticContact CE3-CE1 3.64Å; W66-Y121 HydrophobicContact CE3-CE1 3.64Å; W66-Y121 AromaticContact CE3-CE2 3.71Å; W66-Y121 HydrophobicContact CE3-CE2 3.71Å; W66-Y121 AromaticContact CE3-CG 3.59Å; W66-Y121 HydrophobicContact CE3-CG 3.59Å; W66-Y121 AromaticContact CE3-CZ 3.69Å; W66-Y121 HydrophobicContact CZ3-CD1 4.43Å; W66-Y121 AromaticContact CZ3-CD2 3.93Å; W66-Y121 HydrophobicContact CZ3-CD2 3.93Å; W66-Y121 HydrophobicContact CZ3-CE1 4.12Å; W66-Y121 AromaticContact CZ3-CE2 3.6Å; W66-Y121 HydrophobicContact CZ3-CE2 3.6Å; W66-Y121 HydrophobicContact CZ3-CG 4.32Å; W66-Y121 AromaticContact CZ3-CZ 3.69Å; W66-Y121 VanDerWaalsContact O-CD1 3.22Å; W66-Y121 WeakPolarHBondContact O-CD1 3.38Å; W66-Y121 WeakPolarHBondContact O-CE1 3.38Å
67Q97.3Very high95.9Very high111 Ų11161.9 Ų61.952%0.51933%0.334SS..G310 helixtrans-63.3-21.3176-64179.2-0.400112.6D64 E65D64-Q67 WeakPolarHBondContact O-CB 3.45Å; D64-Q67 WeakPolarHBondContact O-CG 3.35Å; D64-Q67 PolarHBondContact O-N 3.07Å; E65-Q67 PolarHBondContact O-N 3.14Å; E65-Q67 VanDerWaalsContact O-N 3.08Å
68H97.6Very high95.9Very high89 Ų8963.1 Ų63.141%0.41235%0.35SS..G310 helixtrans-95.3-12.2-179.6-57.1-49.3000113.8E65 W66 A70 A71 W72E65-H68 WeakPolarHBondContact O-CB 3.18Å; E65-H68 PolarHBondContact O-N 3.02Å; W66-H68 PolarHBondContact O-N 3.4Å; H68-A70 VanDerWaalsContact C-N 3.34Å; H68-A70 PolarHBondContact O-N 3.18Å; H68-A71 PolarHBondContact O-N 3.36Å; H68-A71 VanDerWaalsContact O-N 3.11Å; H68-W72 HydrophobicContact CB-CD2 3.9Å; H68-W72 VanDerWaalsContact CB-CE2 3.49Å; H68-W72 HydrophobicContact CB-CE3 4.37Å; H68-W72 HydrophobicContact CB-CG 4.44Å; H68-W72 HydrophobicContact CB-CH2 4.18Å; H68-W72 HydrophobicContact CB-CZ2 3.65Å; H68-W72 HydrophobicContact CB-CZ3 4.5Å; H68-W72 PolarHBondContact O-N 2.87Å
69Y98Very high95.7Very high0 Ų065.9 Ų65.90%036%0.357CS..Hα-helixtrans-58.4-43.2-171.5-68.3-8.1000113.1E65 W66 A71 W72 L73 F93 I97 Q118 Y121 L122E65-Y69 HydrophobicContact CB-CE1 4.4Å; E65-Y69 HydrophobicContact CG-CE1 3.91Å; E65-Y69 WeakPolarHBondContact O-CD1 3.26Å; W66-Y69 HydrophobicContact CB-CD2 3.98Å; W66-Y69 HydrophobicContact CB-CE2 3.73Å; W66-Y69 PolarHBondContact O-N 3.11Å; Y69-A71 PolarHBondContact O-N 2.68Å; Y69-W72 HydrophobicContact CD1-CE3 4.01Å; Y69-W72 HydrophobicContact CD1-CZ3 4.05Å; Y69-W72 HydrophobicContact CE1-CE3 4.48Å; Y69-W72 HydrophobicContact CE1-CZ3 4.09Å; Y69-W72 PolarHBondContact O-N 2.86Å; Y69-L73 WeakPolarHBondContact O-CB 3.36Å; Y69-L73 PolarHBondContact O-N 3.24Å; Y69-F93 WeakPolarHBondContact O-CZ 3.41Å; Y69-I97 HydrophobicContact CD1-CD1 4.26Å; Y69-I97 HydrophobicContact CD1-CG2 4.42Å; Y69-I97 HydrophobicContact CD2-CG2 4.4Å; Y69-I97 HydrophobicContact CE1-CD1 4.05Å; Y69-I97 HydrophobicContact CE1-CG1 4.45Å; Y69-I97 HydrophobicContact CE1-CG2 3.73Å; Y69-I97 HydrophobicContact CE2-CG2 3.71Å; Y69-I97 WeakPolarHBondContact OH-CG2 3.48Å; Y69-Q118 HydrophobicContact CE2-CB 4.47Å; Y69-Y121 HydrophobicContact CD2-CD1 4.46Å; Y69-L122 HydrophobicContact CD2-CB 4.18Å; Y69-L122 HydrophobicContact CE2-CB 4.11Å
70A96.3Very high95.8Very high46 Ų4662 Ų6238%0.3834%0.34SS..Hα-helixtrans-62.3-44.1178.300000111.9H68 L73 Q74 T125H68-A70 VanDerWaalsContact C-N 3.34Å; H68-A70 PolarHBondContact O-N 3.18Å; A70-L73 PolarHBondContact O-N 3.4Å; A70-Q74 WeakPolarHBondContact O-CB 3.12Å; A70-Q74 VanDerWaalsContact O-CG 3.22Å; A70-Q74 WeakPolarHBondContact O-CG 3.21Å; A70-Q74 PolarHBondContact O-N 3.1Å; A70-T125 HydrophobicContact CB-CG2 4.28Å
71A97Very high95.7Very high65 Ų6564.3 Ų64.354%0.53736%0.358SS..Hα-helixtrans-65.4-46.2179.400000111.8H68 Y69 L73 Q74 E75H68-A71 PolarHBondContact O-N 3.36Å; H68-A71 VanDerWaalsContact O-N 3.11Å; Y69-A71 PolarHBondContact O-N 2.68Å; A71-L73 VanDerWaalsContact C-N 3.33Å; A71-L73 PolarHBondContact O-N 3.43Å; A71-Q74 PolarHBondContact O-N 3.13Å; A71-E75 PolarHBondContact O-N 2.97Å
72W97.4Very high95.7Very high67 Ų6767.9 Ų67.925%0.25438%0.377SS..Hα-helixtrans-62.7-39.7177.7-63.8-16.7000112.5E65 H68 Y69 A76 F93 I97E65-W72 HydrophobicContact CG-CH2 3.47Å; E65-W72 VanDerWaalsContact CG-CH2 3.47Å; E65-W72 HydrophobicContact CG-CZ3 3.75Å; H68-W72 HydrophobicContact CB-CD2 3.9Å; H68-W72 VanDerWaalsContact CB-CE2 3.49Å; H68-W72 HydrophobicContact CB-CE3 4.37Å; H68-W72 HydrophobicContact CB-CG 4.44Å; H68-W72 HydrophobicContact CB-CH2 4.18Å; H68-W72 HydrophobicContact CB-CZ2 3.65Å; H68-W72 HydrophobicContact CB-CZ3 4.5Å; H68-W72 PolarHBondContact O-N 2.87Å; Y69-W72 HydrophobicContact CD1-CE3 4.01Å; Y69-W72 HydrophobicContact CD1-CZ3 4.05Å; Y69-W72 HydrophobicContact CE1-CE3 4.48Å; Y69-W72 HydrophobicContact CE1-CZ3 4.09Å; Y69-W72 PolarHBondContact O-N 2.86Å; W72-A76 PolarHBondContact O-N 3.25Å; W72-F93 HydrophobicContact CB-CE2 3.76Å; W72-F93 HydrophobicContact CB-CZ 4.14Å; W72-I97 HydrophobicContact CE3-CD1 4.09Å; W72-I97 HydrophobicContact CZ3-CD1 4.12Å
73L97.8Very high95.7Very high1 Ų164 Ų641%0.00536%0.359CS..Hα-helixtrans-68.2-42.8176.9-178.459.5000111.2Y69 A70 A71 E75 A76 L77 L90 F93 T125 L126 A129Y69-L73 WeakPolarHBondContact O-CB 3.36Å; Y69-L73 PolarHBondContact O-N 3.24Å; A70-L73 PolarHBondContact O-N 3.4Å; A71-L73 VanDerWaalsContact C-N 3.33Å; A71-L73 PolarHBondContact O-N 3.43Å; L73-E75 VanDerWaalsContact C-N 3.31Å; L73-E75 PolarHBondContact O-N 2.94Å; L73-A76 PolarHBondContact O-N 3.4Å; L73-L77 HydrophobicContact CD1-CD1 4.1Å; L73-L77 HydrophobicContact CD1-CG 4.09Å; L73-L77 HydrophobicContact CD2-CD1 4.45Å; L73-L77 HydrophobicContact CG-CD1 3.87Å; L73-L77 HydrophobicContact CG-CG 4.27Å; L73-L77 WeakPolarHBondContact O-CB 3.33Å; L73-L77 VanDerWaalsContact O-CG 3.28Å; L73-L77 WeakPolarHBondContact O-CG 3.46Å; L73-L77 PolarHBondContact O-N 3.06Å; L73-L90 HydrophobicContact CD1-CD2 4.24Å; L73-L90 HydrophobicContact CD2-CD2 4.12Å; L73-F93 HydrophobicContact CB-CD1 4.37Å; L73-F93 HydrophobicContact CB-CD2 4.24Å; L73-F93 HydrophobicContact CB-CE1 4.09Å; L73-F93 HydrophobicContact CB-CE2 3.97Å; L73-F93 HydrophobicContact CB-CG 4.43Å; L73-F93 HydrophobicContact CB-CZ 3.89Å; L73-F93 HydrophobicContact CD1-CB 3.88Å; L73-F93 HydrophobicContact CD1-CD1 4.04Å; L73-F93 HydrophobicContact CD1-CD2 3.98Å; L73-F93 HydrophobicContact CD1-CG 3.69Å; L73-T125 HydrophobicContact CB-CG2 4.32Å; L73-T125 HydrophobicContact CD2-CG2 3.79Å; L73-L126 HydrophobicContact CD1-CD2 4.49Å; L73-L126 HydrophobicContact CD2-CD2 3.96Å; L73-A129 HydrophobicContact CD2-CB 3.5Å; L73-A129 HydrophobicContact CG-CB 4.32Å
74Q95.8Very high95.6Very high98 Ų9865.2 Ų65.246%0.45837%0.369SS..Hα-helixtrans-61.4-40176.9-72.2-62.5-28.100111.9A70 A71 A76 L77 C78A70-Q74 WeakPolarHBondContact O-CB 3.12Å; A70-Q74 VanDerWaalsContact O-CG 3.22Å; A70-Q74 WeakPolarHBondContact O-CG 3.21Å; A70-Q74 PolarHBondContact O-N 3.1Å; A71-Q74 PolarHBondContact O-N 3.13Å; Q74-A76 VanDerWaalsContact C-N 3.34Å; Q74-A76 PolarHBondContact O-N 3.44Å; Q74-L77 CarbonylContact O-C 3.59Å; Q74-L77 PolarHBondContact O-N 3.47Å; Q74-L77 VanDerWaalsContact O-N 3.15Å; Q74-C78 PolarHBondContact O-N 3.42Å; Q74-C78 PolarHBondContact O-SG 3.41Å
75E96.3Very high95.6Very high145 Ų14562.2 Ų62.268%0.67836%0.355SS*.Hα-helixtrans-59.3-43.8174.2-174.3176.7-178.900112.1A71 L73 L77 C78A71-E75 PolarHBondContact O-N 2.97Å; L73-E75 VanDerWaalsContact C-N 3.31Å; L73-E75 PolarHBondContact O-N 2.94Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 3.32Å; E75-C78 WeakPolarHBondContact O-CB 3.41Å; E75-C78 PolarHBondContact O-N 2.92Å
76A95.1Very high95.7Very high35 Ų3561.9 Ų61.929%0.28935%0.353SS..Hα-helixtrans-65.4-34.7175.300000112.6W72 L73 Q74W72-A76 PolarHBondContact O-N 3.25Å; L73-A76 PolarHBondContact O-N 3.4Å; Q74-A76 VanDerWaalsContact C-N 3.34Å; Q74-A76 PolarHBondContact O-N 3.44Å
77L96.4Very high95.7Very high13 Ų1359.9 Ų59.97%0.06835%0.346CS..Hα-helixtrans-81.2-16.2-179.3-67178.6000114.1L73 Q74 E75 N79 V80 L86 E89 A129L73-L77 HydrophobicContact CD1-CD1 4.1Å; L73-L77 HydrophobicContact CD1-CG 4.09Å; L73-L77 HydrophobicContact CD2-CD1 4.45Å; L73-L77 HydrophobicContact CG-CD1 3.87Å; L73-L77 HydrophobicContact CG-CG 4.27Å; L73-L77 WeakPolarHBondContact O-CB 3.33Å; L73-L77 VanDerWaalsContact O-CG 3.28Å; L73-L77 WeakPolarHBondContact O-CG 3.46Å; L73-L77 PolarHBondContact O-N 3.06Å; Q74-L77 CarbonylContact O-C 3.59Å; Q74-L77 PolarHBondContact O-N 3.47Å; Q74-L77 VanDerWaalsContact O-N 3.15Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 3.32Å; L77-N79 PolarHBondContact O-N 2.95Å; L77-V80 HydrophobicContact CD2-CB 4.45Å; L77-V80 HydrophobicContact CD2-CG2 3.99Å; L77-V80 WeakPolarHBondContact O-CB 3.42Å; L77-V80 PolarHBondContact O-N 3.42Å; L77-L86 HydrophobicContact CD1-CD1 4.32Å; L77-L86 HydrophobicContact CD2-CD1 3.75Å; L77-E89 HydrophobicContact CD2-CB 3.83Å; L77-E89 HydrophobicContact CD2-CG 4.42Å; L77-A129 HydrophobicContact CD1-CB 4.01Å
78C91Very high95.7Very high100 Ų10059.3 Ų59.368%0.67634%0.34SS*.THydrogen-bonded Turntrans-52.7-33.1-179.4-82.40000114Q74 E75Q74-C78 PolarHBondContact O-N 3.42Å; Q74-C78 PolarHBondContact O-SG 3.41Å; E75-C78 WeakPolarHBondContact O-CB 3.41Å; E75-C78 PolarHBondContact O-N 2.92Å
79N89.2Confident95.7Very high153 Ų15356.6 Ų56.682%0.81833%0.327SS*.THydrogen-bonded Turntrans-98.45.7-178.6-64.1-44.7000113.6L77L77-N79 PolarHBondContact O-N 2.95Å
80V94.9Very high95.7Very high19 Ų1956.6 Ų56.612%0.11533%0.327CS..  trans-87.1120.9-178.7173.30000110.5L77 D82 L86 E89L77-V80 HydrophobicContact CD2-CB 4.45Å; L77-V80 HydrophobicContact CD2-CG2 3.99Å; L77-V80 WeakPolarHBondContact O-CB 3.42Å; L77-V80 PolarHBondContact O-N 3.42Å; V80-D82 WeakPolarHBondContact CG1-O 3.22Å; V80-L86 HydrophobicContact CG1-CB 4.07Å; V80-E89 HydrophobicContact CG2-CB 4.44Å; V80-E89 HydrophobicContact CG2-CG 3.62Å
81S91.6Very high95.8Very high111 Ų11154.4 Ų54.478%0.77631%0.309SS*.  trans-110.9-11.9-17654.70000114.7
82D95.3Very high95.8Very high82 Ų8253.7 Ų53.744%0.43930%0.296SS..SBendtrans-140.7167.5-176.769.8-8.3000113V80 A84 G85 L86 W133V80-D82 WeakPolarHBondContact CG1-O 3.22Å; D82-A84 PolarHBondContact O-N 3.09Å; D82-G85 PolarHBondContact O-N 3.21Å; D82-G85 WeakPolarHBondContact OD1-CA 3.2Å; D82-G85 PolarHBondContact OD1-N 3Å; D82-L86 PolarHBondContact O-N 2.94Å; D82-L86 VanDerWaalsContact O-N 3.08Å; D82-W133 VanDerWaalsContact C-CH2 3.44Å
83E94.9Very high95.8Very high34 Ų3451 Ų5116%0.15929%0.286CS..Hα-helixtrans-64.1-31.6-178.4-174.4178.1124.300111.6L86 M87 W133 R205 K208 V209E83-L86 PolarHBondContact O-N 3.17Å; E83-M87 HydrophobicContact CG-SD 4.47Å; E83-M87 WeakPolarHBondContact O-CB 3.37Å; E83-M87 VanDerWaalsContact O-CG 3.29Å; E83-M87 WeakPolarHBondContact O-CG 3.19Å; E83-M87 PolarHBondContact O-N 3.27Å; E83-W133 HydrophobicContact CB-CH2 4.37Å; E83-W133 HydrophobicContact CB-CZ3 4.34Å; E83-R205 IonicContact OE2-CZ 2.76Å; E83-R205 VanDerWaalsContact OE2-CZ 3.27Å; E83-R205 IonicContact OE2-NE 3.85Å; E83-R205 PolarHBondContact OE2-NE 2.77Å; E83-R205 IonicContact OE2-NH2 2.68Å; E83-R205 PolarHBondContact OE2-NH2 3.49Å; E83-K208 IonicContact OE1-NZ 2.61Å; E83-K208 PolarHBondContact OE1-NZ 3.33Å; E83-V209 HydrophobicContact CG-CG2 3.95Å
84A95.7Very high95.8Very high64 Ų6451.5 Ų51.553%0.52929%0.288SS..Hα-helixtrans-67.3-43.2177.500000111.7D82 L86 M87 R88D82-A84 PolarHBondContact O-N 3.09Å; A84-L86 VanDerWaalsContact C-N 3.33Å; A84-M87 PolarHBondContact O-N 3.26Å; A84-R88 PolarHBondContact O-N 3.26Å
85G96.7Very high95.8Very high8 Ų849.7 Ų49.78%0.08228%0.277CS..Hα-helixtrans-61-41.8172.200000112.1D82 R88 E89D82-G85 PolarHBondContact O-N 3.21Å; D82-G85 WeakPolarHBondContact OD1-CA 3.2Å; D82-G85 PolarHBondContact OD1-N 3Å; G85-R88 PolarHBondContact O-N 2.86Å; G85-E89 WeakPolarHBondContact O-CG 2.99Å; G85-E89 PolarHBondContact O-N 2.83Å
86L97.3Very high95.9Very high0 Ų046.7 Ų46.70%026%0.259CS..Hα-helixtrans-60.8-49.7175.917769.3000110.8L77 V80 D82 E83 A84 R88 E89 L90 W133 L134 V209L77-L86 HydrophobicContact CD1-CD1 4.32Å; L77-L86 HydrophobicContact CD2-CD1 3.75Å; V80-L86 HydrophobicContact CG1-CB 4.07Å; D82-L86 PolarHBondContact O-N 2.94Å; D82-L86 VanDerWaalsContact O-N 3.08Å; E83-L86 PolarHBondContact O-N 3.17Å; A84-L86 VanDerWaalsContact C-N 3.33Å; L86-R88 VanDerWaalsContact C-N 3.29Å; L86-R88 PolarHBondContact O-N 2.99Å; L86-E89 PolarHBondContact O-N 3.42Å; L86-L90 HydrophobicContact CD1-CD1 3.84Å; L86-L90 HydrophobicContact CD1-CD2 4.4Å; L86-L90 HydrophobicContact CD1-CG 3.98Å; L86-L90 HydrophobicContact CD2-CD1 4.45Å; L86-L90 HydrophobicContact CG-CD1 3.81Å; L86-L90 HydrophobicContact CG-CG 4.31Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.43Å; L86-L90 PolarHBondContact O-N 2.83Å; L86-W133 HydrophobicContact CB-CD2 4.44Å; L86-W133 HydrophobicContact CD1-CB 4.19Å; L86-W133 HydrophobicContact CD1-CD2 4.44Å; L86-W133 HydrophobicContact CD1-CG 4.05Å; L86-W133 HydrophobicContact CD2-CB 4.12Å; L86-W133 HydrophobicContact CD2-CD2 3.74Å; L86-W133 HydrophobicContact CD2-CE3 3.52Å; L86-W133 HydrophobicContact CD2-CG 4Å; L86-W133 HydrophobicContact CD2-CZ3 4.21Å; L86-W133 HydrophobicContact CG-CD2 4.43Å; L86-L134 HydrophobicContact CD2-CG 4.38Å; L86-V209 HydrophobicContact CD2-CG1 3.93Å; L86-V209 HydrophobicContact CD2-CG2 4.42Å; L86-V209 HydrophobicContact CG-CG1 4.22Å
87M98.1Very high96Very high16 Ų1645 Ų458%0.07925%0.245CC..Hα-helixtrans-57.6-42.2179.4-75.3-178.778.700111.9E83 A84 R91 V209 Q212 T214E83-M87 HydrophobicContact CG-SD 4.47Å; E83-M87 WeakPolarHBondContact O-CB 3.37Å; E83-M87 VanDerWaalsContact O-CG 3.29Å; E83-M87 WeakPolarHBondContact O-CG 3.19Å; E83-M87 PolarHBondContact O-N 3.27Å; A84-M87 PolarHBondContact O-N 3.26Å; M87-R91 VanDerWaalsContact CA-NH1 3.33Å; M87-R91 VanDerWaalsContact O-CD 3.26Å; M87-R91 WeakPolarHBondContact O-CD 3.07Å; M87-R91 VanDerWaalsContact O-CG 3.29Å; M87-R91 WeakPolarHBondContact O-CG 3.09Å; M87-R91 PolarHBondContact O-N 3.32Å; M87-R91 PolarHBondContact O-NH1 3.31Å; M87-V209 HydrophobicContact CG-CB 4.34Å; M87-V209 HydrophobicContact CG-CG1 4.25Å; M87-V209 HydrophobicContact CG-CG2 4Å; M87-Q212 HydrophobicContact CE-CB 4.05Å; M87-T214 HydrophobicContact CE-CG2 3.7Å
88R97.5Very high96.1Very high100 Ų10044.4 Ų44.438%0.37724%0.242SC..Hα-helixtrans-65.1-51.8178.3-177.917859.57212.1112A84 G85 L86 L90 R91 L92A84-R88 PolarHBondContact O-N 3.26Å; G85-R88 PolarHBondContact O-N 2.86Å; L86-R88 VanDerWaalsContact C-N 3.29Å; L86-R88 PolarHBondContact O-N 2.99Å; R88-L90 PolarHBondContact O-N 3.4Å; R88-R91 PolarHBondContact O-N 2.93Å; R88-L92 PolarHBondContact O-N 2.96Å
89E97.6Very high96.4Very high31 Ų3139.6 Ų39.615%0.14521%0.21CC..Hα-helixtrans-65.1-40-176.3-68.1-56.5158.100112.5L77 V80 G85 L86 R91 L92 F93L77-E89 HydrophobicContact CD2-CB 3.83Å; L77-E89 HydrophobicContact CD2-CG 4.42Å; V80-E89 HydrophobicContact CG2-CB 4.44Å; V80-E89 HydrophobicContact CG2-CG 3.62Å; G85-E89 WeakPolarHBondContact O-CG 2.99Å; G85-E89 PolarHBondContact O-N 2.83Å; L86-E89 PolarHBondContact O-N 3.42Å; E89-R91 VanDerWaalsContact C-N 3.3Å; E89-R91 PolarHBondContact O-N 3.22Å; E89-L92 PolarHBondContact O-N 3.2Å; E89-F93 VanDerWaalsContact O-CB 3.24Å; E89-F93 WeakPolarHBondContact O-CB 3.31Å; E89-F93 PolarHBondContact O-N 3.31Å
90L98.1Very high96.8Very high0 Ų032.6 Ų32.60%017%0.172CC..Hα-helixtrans-61-39.2176.4-67.5174.1000112.1L73 L86 R88 R94 L126 A130 V209 V219L73-L90 HydrophobicContact CD1-CD2 4.24Å; L73-L90 HydrophobicContact CD2-CD2 4.12Å; L86-L90 HydrophobicContact CD1-CD1 3.84Å; L86-L90 HydrophobicContact CD1-CD2 4.4Å; L86-L90 HydrophobicContact CD1-CG 3.98Å; L86-L90 HydrophobicContact CD2-CD1 4.45Å; L86-L90 HydrophobicContact CG-CD1 3.81Å; L86-L90 HydrophobicContact CG-CG 4.31Å; L86-L90 VanDerWaalsContact O-CG 3.27Å; L86-L90 WeakPolarHBondContact O-CG 3.43Å; L86-L90 PolarHBondContact O-N 2.83Å; R88-L90 PolarHBondContact O-N 3.4Å; L90-R94 VanDerWaalsContact O-CB 3.24Å; L90-R94 WeakPolarHBondContact O-CB 3.49Å; L90-R94 PolarHBondContact O-N 3.47Å; L90-L126 HydrophobicContact CB-CD2 4.17Å; L90-L126 HydrophobicContact CD2-CD2 3.57Å; L90-L126 HydrophobicContact CG-CD2 4.47Å; L90-A130 HydrophobicContact CD1-CB 3.83Å; L90-V209 HydrophobicContact CD1-CG1 3.46Å; L90-V209 VanDerWaalsContact CD1-CG1 3.46Å; L90-V219 HydrophobicContact CB-CG2 3.74Å
91R97.7Very high97Very high1 Ų131.7 Ų31.70%0.00417%0.166CC..Hα-helixtrans-69.3-45178.3-74.6164.4179.963.16.8111.7M87 R88 E89 R95 V209 Q212 T214 D216 G217 V219M87-R91 VanDerWaalsContact CA-NH1 3.33Å; M87-R91 VanDerWaalsContact O-CD 3.26Å; M87-R91 WeakPolarHBondContact O-CD 3.07Å; M87-R91 VanDerWaalsContact O-CG 3.29Å; M87-R91 WeakPolarHBondContact O-CG 3.09Å; M87-R91 PolarHBondContact O-N 3.32Å; M87-R91 PolarHBondContact O-NH1 3.31Å; R88-R91 PolarHBondContact O-N 2.93Å; E89-R91 VanDerWaalsContact C-N 3.3Å; E89-R91 PolarHBondContact O-N 3.22Å; R91-R95 WeakPolarHBondContact O-CB 3.35Å; R91-R95 PolarHBondContact O-N 2.87Å; R91-V209 PolarHBondContact NH1-O 3.28Å; R91-V209 PolarHBondContact NH2-O 3.36Å; R91-Q212 PolarHBondContact NH2-O 3.42Å; R91-T214 WeakPolarHBondContact CD-OG1 3.48Å; R91-T214 PolarHBondContact NE-OG1 2.97Å; R91-T214 VanDerWaalsContact NE-OG1 3.12Å; R91-D216 HydrophobicContact CB-CB 3.97Å; R91-D216 WeakPolarHBondContact CB-O 3.44Å; R91-G217 WeakPolarHBondContact CD-O 3.46Å; R91-G217 PolarHBondContact NE-O 3.02Å; R91-V219 HydrophobicContact CG-CG2 3.91Å
92L97Very high97.2Very high49 Ų4926.4 Ų26.426%0.25713%0.129SC..Hα-helixtrans-64-45.4178.4-172.265.2000111.2H49 W52 R88 E89 R95 R96H49-L92 WeakPolarHBondContact NE2-CD1 3.5Å; W52-L92 HydrophobicContact CH2-CD1 3.96Å; W52-L92 HydrophobicContact CZ2-CD1 3.66Å; W52-L92 HydrophobicContact CZ2-CG 4.32Å; R88-L92 PolarHBondContact O-N 2.96Å; E89-L92 PolarHBondContact O-N 3.2Å; L92-R95 PolarHBondContact O-N 3.24Å; L92-R96 WeakPolarHBondContact O-CB 3.47Å; L92-R96 PolarHBondContact O-N 2.84Å
93F97.7Very high97.3Very high11 Ų1122.6 Ų22.65%0.04811%0.109CC..Hα-helixtrans-62.5-48.3177.9-170-92.2000111.7Y69 W72 L73 E89 R95 R96 I97 L122 L126Y69-F93 WeakPolarHBondContact O-CZ 3.41Å; W72-F93 HydrophobicContact CB-CE2 3.76Å; W72-F93 HydrophobicContact CB-CZ 4.14Å; L73-F93 HydrophobicContact CB-CD1 4.37Å; L73-F93 HydrophobicContact CB-CD2 4.24Å; L73-F93 HydrophobicContact CB-CE1 4.09Å; L73-F93 HydrophobicContact CB-CE2 3.97Å; L73-F93 HydrophobicContact CB-CG 4.43Å; L73-F93 HydrophobicContact CB-CZ 3.89Å; L73-F93 HydrophobicContact CD1-CB 3.88Å; L73-F93 HydrophobicContact CD1-CD1 4.04Å; L73-F93 HydrophobicContact CD1-CD2 3.98Å; L73-F93 HydrophobicContact CD1-CG 3.69Å; E89-F93 VanDerWaalsContact O-CB 3.24Å; E89-F93 WeakPolarHBondContact O-CB 3.31Å; E89-F93 PolarHBondContact O-N 3.31Å; F93-R95 VanDerWaalsContact C-N 3.31Å; F93-R95 PolarHBondContact O-N 3.33Å; F93-R96 PolarHBondContact O-N 3.18Å; F93-I97 HydrophobicContact CD1-CG1 4.02Å; F93-I97 HydrophobicContact CE1-CD1 4.47Å; F93-I97 HydrophobicContact CE1-CG1 3.64Å; F93-I97 HydrophobicContact CE2-CD1 4.42Å; F93-I97 HydrophobicContact CE2-CG1 4.3Å; F93-I97 HydrophobicContact CZ-CD1 4.13Å; F93-I97 HydrophobicContact CZ-CG1 3.79Å; F93-I97 WeakPolarHBondContact O-CG1 3.19Å; F93-I97 PolarHBondContact O-N 2.83Å; F93-L122 HydrophobicContact CD1-CD1 3.95Å; F93-L122 HydrophobicContact CE1-CD1 3.78Å; F93-L126 HydrophobicContact CD1-CD2 4.02Å
94R97.7Very high97.5Very high11 Ų1121 Ų214%0.04210%0.101CC..Hα-helixtrans-54.4-49175.2-174-77.3-146.5-179.70.2110.8L90 M98 L126 V219 Y220 D389L90-R94 VanDerWaalsContact O-CB 3.24Å; L90-R94 WeakPolarHBondContact O-CB 3.49Å; L90-R94 PolarHBondContact O-N 3.47Å; R94-M98 WeakPolarHBondContact O-CB 3.47Å; R94-M98 PolarHBondContact O-N 3.46Å; R94-L126 HydrophobicContact CB-CD1 3.65Å; R94-L126 HydrophobicContact CG-CD1 3.83Å; R94-V219 HydrophobicContact CB-CG1 4.14Å; R94-V219 HydrophobicContact CG-CG1 4.14Å; R94-V219 PolarHBondContact NE-O 3.42Å; R94-Y220 HydrophobicContact CG-CE2 4.21Å; R94-D389 IonicContact CZ-OD2 2.89Å; R94-D389 IonicContact NH1-OD2 2.62Å; R94-D389 PolarHBondContact NH1-OD2 3.23Å; R94-D389 IonicContact NH2-OD1 3.6Å; R94-D389 IonicContact NH2-OD2 3.96Å; R94-D389 PolarHBondContact NH2-OD2 3.12Å
95R96.9Very high97.5Very high61 Ų6118 Ų1823%0.238%0.076CC..Hα-helixtrans-62.9-47.7179.7-169.2-179.6-67.1147.55.6111.7F41 W52 R91 L92 F93 I97 M98 V99 D216F41-R95 HydrophobicContact CE2-CG 4.29Å; F41-R95 HydrophobicContact CZ-CG 4.31Å; W52-R95 HydrophobicContact CH2-CB 4.12Å; W52-R95 HydrophobicContact CH2-CG 4Å; W52-R95 HydrophobicContact CZ3-CB 4.41Å; W52-R95 HydrophobicContact CZ3-CG 3.87Å; R91-R95 WeakPolarHBondContact O-CB 3.35Å; R91-R95 PolarHBondContact O-N 2.87Å; L92-R95 PolarHBondContact O-N 3.24Å; F93-R95 VanDerWaalsContact C-N 3.31Å; F93-R95 PolarHBondContact O-N 3.33Å; R95-I97 PolarHBondContact O-N 3.44Å; R95-M98 PolarHBondContact O-N 3.31Å; R95-V99 WeakPolarHBondContact O-CG2 3.48Å; R95-V99 PolarHBondContact O-N 3.47Å; R95-D216 PolarHBondContact NH2-O 3.41Å
96R97.4Very high97.5Very high81 Ų8117.9 Ų17.931%0.3067%0.074SC..Hα-helixtrans-56.1-51.5179.1-176.8-179.7177.7-163.6-0.5111.6W52 E55 L92 F93 V99 R100W52-R96 HydrophobicContact CD2-CB 4.35Å; W52-R96 HydrophobicContact CD2-CG 4.16Å; W52-R96 HydrophobicContact CG-CG 4.4Å; W52-R96 HydrophobicContact CH2-CB 4.03Å; W52-R96 HydrophobicContact CZ2-CB 3.69Å; W52-R96 HydrophobicContact CZ2-CG 4.18Å; W52-R96 HydrophobicContact CZ3-CB 4.5Å; E55-R96 IonicContact OE1-CZ 2.89Å; E55-R96 IonicContact OE1-NE 2.68Å; E55-R96 IonicContact OE1-NH2 3.27Å; E55-R96 PolarHBondContact OE1-NH2 2.96Å; E55-R96 IonicContact OE2-CZ 3.6Å; E55-R96 IonicContact OE2-NE 3.79Å; E55-R96 PolarHBondContact OE2-NE 3.48Å; E55-R96 IonicContact OE2-NH2 2.89Å; E55-R96 PolarHBondContact OE2-NH2 3.13Å; L92-R96 WeakPolarHBondContact O-CB 3.47Å; L92-R96 PolarHBondContact O-N 2.84Å; F93-R96 PolarHBondContact O-N 3.18Å; R96-V99 WeakPolarHBondContact O-CB 3.32Å; R96-V99 PolarHBondContact O-N 3.44Å; R96-R100 WeakPolarHBondContact O-CG 3.35Å; R96-R100 PolarHBondContact O-N 3.5Å
97I97.7Very high97.5Very high0 Ų019.1 Ų19.10%08%0.08CC..Hα-helixtrans-68.9-37.5-179.2-57.8-53.9000111.1Y69 W72 F93 R95 V99 R100 I101 L122Y69-I97 HydrophobicContact CD1-CD1 4.26Å; Y69-I97 HydrophobicContact CD1-CG2 4.42Å; Y69-I97 HydrophobicContact CD2-CG2 4.4Å; Y69-I97 HydrophobicContact CE1-CD1 4.05Å; Y69-I97 HydrophobicContact CE1-CG1 4.45Å; Y69-I97 HydrophobicContact CE1-CG2 3.73Å; Y69-I97 HydrophobicContact CE2-CG2 3.71Å; Y69-I97 WeakPolarHBondContact OH-CG2 3.48Å; W72-I97 HydrophobicContact CE3-CD1 4.09Å; W72-I97 HydrophobicContact CZ3-CD1 4.12Å; F93-I97 HydrophobicContact CD1-CG1 4.02Å; F93-I97 HydrophobicContact CE1-CD1 4.47Å; F93-I97 HydrophobicContact CE1-CG1 3.64Å; F93-I97 HydrophobicContact CE2-CD1 4.42Å; F93-I97 HydrophobicContact CE2-CG1 4.3Å; F93-I97 HydrophobicContact CZ-CD1 4.13Å; F93-I97 HydrophobicContact CZ-CG1 3.79Å; F93-I97 WeakPolarHBondContact O-CG1 3.19Å; F93-I97 PolarHBondContact O-N 2.83Å; R95-I97 PolarHBondContact O-N 3.44Å; I97-V99 VanDerWaalsContact C-N 3.28Å; I97-V99 PolarHBondContact O-N 2.98Å; I97-R100 WeakPolarHBondContact O-CA 3.41Å; I97-R100 WeakPolarHBondContact O-CB 3.3Å; I97-R100 PolarHBondContact O-N 2.84Å; I97-I101 HydrophobicContact CG2-CD1 3.98Å; I97-I101 HydrophobicContact CG2-CG1 4.26Å; I97-I101 WeakPolarHBondContact O-CG1 3.48Å; I97-I101 PolarHBondContact O-N 3.36Å; I97-L122 HydrophobicContact CB-CD1 3.84Å; I97-L122 HydrophobicContact CB-CD2 3.94Å; I97-L122 HydrophobicContact CB-CG 4.5Å; I97-L122 HydrophobicContact CG1-CD1 4.08Å; I97-L122 HydrophobicContact CG2-CD1 3.95Å; I97-L122 HydrophobicContact CG2-CD2 3.84Å; I97-L122 HydrophobicContact CG2-CG 4.32Å
98M97.5Very high97.3Very high0 Ų020.9 Ų20.90%010%0.098CC..Hα-helixtrans-62.2-34.8176.4-164.164.672.200112.6F41 R94 R95 I101 A102 L119 L122 F170F41-M98 HydrophobicContact CE1-CB 4.18Å; F41-M98 HydrophobicContact CE1-CG 3.86Å; F41-M98 HydrophobicContact CZ-CB 3.88Å; F41-M98 HydrophobicContact CZ-CG 3.8Å; R94-M98 WeakPolarHBondContact O-CB 3.47Å; R94-M98 PolarHBondContact O-N 3.46Å; R95-M98 PolarHBondContact O-N 3.31Å; M98-I101 PolarHBondContact O-N 2.98Å; M98-A102 WeakPolarHBondContact O-CB 3.36Å; M98-A102 PolarHBondContact O-N 3.38Å; M98-L119 HydrophobicContact CE-CD2 3.86Å; M98-L119 HydrophobicContact SD-CD2 3.5Å; M98-L119 WeakPolarHBondContact SD-CD2 3.44Å; M98-L122 HydrophobicContact CE-CD2 4.06Å; M98-F170 HydrophobicContact CG-CE1 3.76Å; M98-F170 HydrophobicContact CG-CE2 3.82Å; M98-F170 HydrophobicContact CG-CZ 3.35Å; M98-F170 HydrophobicContact SD-CD1 4.17Å; M98-F170 HydrophobicContact SD-CD2 3.74Å; M98-F170 HydrophobicContact SD-CE1 3.91Å; M98-F170 HydrophobicContact SD-CE2 3.46Å; M98-F170 WeakPolarHBondContact SD-CE2 3.17Å; M98-F170 HydrophobicContact SD-CG 4.1Å; M98-F170 HydrophobicContact SD-CZ 3.57Å; M98-F170 VanDerWaalsContact SD-CZ 3.57Å
99V97.7Very high97.3Very high0 Ų019.4 Ų19.40%010%0.097CC..Hα-helixtrans-63.4-42.1170.8169.60000111.2F41 V42 V46 W52 L56 R95 R96 I97 A102 W103F41-V99 HydrophobicContact CE1-CG2 3.88Å; F41-V99 HydrophobicContact CZ-CG2 3.95Å; V42-V99 HydrophobicContact CG1-CG1 4.24Å; V46-V99 HydrophobicContact CG1-CG1 4.44Å; W52-V99 HydrophobicContact CE3-CB 4.45Å; W52-V99 HydrophobicContact CE3-CG2 4.1Å; W52-V99 HydrophobicContact CZ3-CG2 4.14Å; L56-V99 HydrophobicContact CD1-CG1 3.97Å; R95-V99 WeakPolarHBondContact O-CG2 3.48Å; R95-V99 PolarHBondContact O-N 3.47Å; R96-V99 WeakPolarHBondContact O-CB 3.32Å; R96-V99 PolarHBondContact O-N 3.44Å; I97-V99 VanDerWaalsContact C-N 3.28Å; I97-V99 PolarHBondContact O-N 2.98Å; V99-A102 PolarHBondContact O-N 3.49Å; V99-W103 WeakPolarHBondContact O-CB 3.4Å; V99-W103 PolarHBondContact O-N 3.32Å
100R98Very high97.2Very high5 Ų519.1 Ų19.12%0.01910%0.098CC..Hα-helixtrans-64.4-40.8175.7-6018067.976.611.4112.3E55 L56 Q59 P61 E65 R96 I97 W103 A104E55-R100 IonicContact OE1-NH1 3.59Å; E55-R100 PolarHBondContact OE1-NH1 3.24Å; E55-R100 VanDerWaalsContact OE1-NH1 3.14Å; L56-R100 HydrophobicContact CD2-CB 4.19Å; L56-R100 HydrophobicContact CD2-CG 3.89Å; Q59-R100 PolarHBondContact O-NH2 3.38Å; P61-R100 HydrophobicContact CB-CB 4.47Å; E65-R100 VanDerWaalsContact CD-NE 3.34Å; E65-R100 IonicContact OE1-CZ 3.62Å; E65-R100 IonicContact OE1-NE 2.79Å; E65-R100 PolarHBondContact OE1-NE 2.79Å; E65-R100 IonicContact OE1-NH2 2.65Å; E65-R100 IonicContact OE2-CZ 3.52Å; E65-R100 IonicContact OE2-NE 3.59Å; E65-R100 PolarHBondContact OE2-NE 2.93Å; E65-R100 IonicContact OE2-NH2 2.66Å; E65-R100 PolarHBondContact OE2-NH2 3.33Å; R96-R100 WeakPolarHBondContact O-CG 3.35Å; R96-R100 PolarHBondContact O-N 3.5Å; I97-R100 WeakPolarHBondContact O-CA 3.41Å; I97-R100 WeakPolarHBondContact O-CB 3.3Å; I97-R100 PolarHBondContact O-N 2.84Å; R100-W103 WeakPolarHBondContact O-CB 3.37Å; R100-W103 PolarHBondContact O-N 3.25Å; R100-A104 PolarHBondContact O-N 3.43Å
101I97.9Very high97.2Very high0 Ų022.9 Ų22.90%012%0.12CC..Hα-helixtrans-64.9-47.3176.1-66.5172.6000110.6I97 M98 W103 A104 Q105 I115 Q118 L119 L122 F170I97-I101 HydrophobicContact CG2-CD1 3.98Å; I97-I101 HydrophobicContact CG2-CG1 4.26Å; I97-I101 WeakPolarHBondContact O-CG1 3.48Å; I97-I101 PolarHBondContact O-N 3.36Å; M98-I101 PolarHBondContact O-N 2.98Å; I101-W103 VanDerWaalsContact C-N 3.32Å; I101-W103 PolarHBondContact O-N 3.41Å; I101-A104 PolarHBondContact O-N 2.96Å; I101-Q105 WeakPolarHBondContact O-CB 3.46Å; I101-Q105 PolarHBondContact O-N 2.92Å; I101-I115 HydrophobicContact CG2-CD1 4.13Å; I101-I115 HydrophobicContact CG2-CG2 3.83Å; I101-Q118 HydrophobicContact CD1-CB 3.86Å; I101-Q118 HydrophobicContact CG1-CB 4.02Å; I101-L119 HydrophobicContact CD1-CD2 3.88Å; I101-L119 HydrophobicContact CD1-CG 4.22Å; I101-L119 HydrophobicContact CG2-CD2 3.9Å; I101-L119 HydrophobicContact CG2-CG 4.01Å; I101-L122 HydrophobicContact CD1-CD2 4.22Å; I101-F170 HydrophobicContact CG2-CD2 4.39Å; I101-F170 HydrophobicContact CG2-CE2 4.36Å
102A97.6Very high97.1Very high0 Ų023.7 Ų23.70%012%0.124CC..Hα-helixtrans-57.8-45.8176.400000111.1V42 M98 V99 A104 Q105 T106 F170V42-A102 HydrophobicContact CG2-CB 3.63Å; M98-A102 WeakPolarHBondContact O-CB 3.36Å; M98-A102 PolarHBondContact O-N 3.38Å; V99-A102 PolarHBondContact O-N 3.49Å; A102-A104 PolarHBondContact O-N 3.11Å; A102-Q105 PolarHBondContact O-N 3.33Å; A102-T106 WeakPolarHBondContact O-CB 3.35Å; A102-T106 PolarHBondContact O-N 2.93Å; A102-T106 PolarHBondContact O-OG1 3.15Å; A102-F170 HydrophobicContact CB-CE2 3.78Å; A102-F170 HydrophobicContact CB-CZ 3.88Å
103W97.5Very high97.1Very high2 Ų224.7 Ų24.71%0.00813%0.128CC..Hα-helixtrans-56-51.2175.7-178.2-85.1000112.5Q31 A32 V35 L53 L56 E57 V99 R100 I101 Q105 L107Q31-W103 HydrophobicContact CB-CZ2 4.22Å; A32-W103 VanDerWaalsContact CA-CH2 3.46Å; A32-W103 HydrophobicContact CB-CH2 3.84Å; A32-W103 HydrophobicContact CB-CZ3 4.22Å; V35-W103 HydrophobicContact CB-CE3 3.83Å; V35-W103 HydrophobicContact CB-CZ3 3.99Å; V35-W103 HydrophobicContact CG1-CE3 3.84Å; V35-W103 HydrophobicContact CG1-CZ3 4.41Å; V35-W103 HydrophobicContact CG2-CD2 4.01Å; V35-W103 HydrophobicContact CG2-CE3 3.67Å; V35-W103 HydrophobicContact CG2-CZ3 3.98Å; L53-W103 HydrophobicContact CD1-CE3 4.29Å; L53-W103 HydrophobicContact CD1-CH2 3.79Å; L53-W103 HydrophobicContact CD1-CZ3 3.37Å; L56-W103 HydrophobicContact CB-CD2 4.33Å; L56-W103 HydrophobicContact CD1-CB 4.12Å; L56-W103 HydrophobicContact CD1-CD2 3.87Å; L56-W103 HydrophobicContact CD1-CE3 3.77Å; L56-W103 HydrophobicContact CD1-CG 4.04Å; L56-W103 HydrophobicContact CD1-CZ3 4.43Å; L56-W103 HydrophobicContact CD2-CB 4.08Å; L56-W103 HydrophobicContact CD2-CD2 4.3Å; L56-W103 HydrophobicContact CD2-CG 3.86Å; L56-W103 HydrophobicContact CG-CD2 4.42Å; L56-W103 HydrophobicContact CG-CG 4.45Å; E57-W103 HydrophobicContact CG-CH2 4.39Å; E57-W103 HydrophobicContact CG-CZ2 4.49Å; V99-W103 WeakPolarHBondContact O-CB 3.4Å; V99-W103 PolarHBondContact O-N 3.32Å; R100-W103 WeakPolarHBondContact O-CB 3.37Å; R100-W103 PolarHBondContact O-N 3.25Å; I101-W103 VanDerWaalsContact C-N 3.32Å; I101-W103 PolarHBondContact O-N 3.41Å; W103-Q105 VanDerWaalsContact C-N 3.34Å; W103-Q105 PolarHBondContact O-N 3.17Å; W103-L107 HydrophobicContact CD2-CD1 4.08Å; W103-L107 HydrophobicContact CG-CD1 4.31Å; W103-L107 HydrophobicContact CZ2-CD1 3.96Å; W103-L107 WeakPolarHBondContact O-CB 3.28Å; W103-L107 PolarHBondContact O-N 2.93Å
104A97.5Very high97.1Very high0 Ų025.4 Ų25.40%013%0.134CC..Hα-helixtrans-61.6-42.4-179.800000112.1P61 R100 I101 A102 A108 L109 V110 I115P61-A104 HydrophobicContact CB-CB 4.24Å; P61-A104 HydrophobicContact CG-CB 3.68Å; R100-A104 PolarHBondContact O-N 3.43Å; I101-A104 PolarHBondContact O-N 2.96Å; A102-A104 PolarHBondContact O-N 3.11Å; A104-A108 WeakPolarHBondContact O-CA 3.49Å; A104-A108 PolarHBondContact O-N 3.28Å; A104-A108 VanDerWaalsContact O-N 3.08Å; A104-L109 PolarHBondContact O-N 3.21Å; A104-V110 HydrophobicContact CB-CG2 4.03Å; A104-I115 HydrophobicContact CB-CD1 3.95Å
105Q97Very high97.1Very high2 Ų224.9 Ų24.91%0.00913%0.132CC..Hα-helixtrans-69.8-48-178.5-171.9176.34900112.2I101 A102 W103 L107 A108 E112 I115 L383I101-Q105 WeakPolarHBondContact O-CB 3.46Å; I101-Q105 PolarHBondContact O-N 2.92Å; A102-Q105 PolarHBondContact O-N 3.33Å; W103-Q105 VanDerWaalsContact C-N 3.34Å; W103-Q105 PolarHBondContact O-N 3.17Å; Q105-L107 VanDerWaalsContact C-N 3.28Å; Q105-L107 PolarHBondContact O-N 2.89Å; Q105-A108 PolarHBondContact O-N 3.47Å; Q105-A108 VanDerWaalsContact O-N 3.13Å; Q105-E112 VanDerWaalsContact NE2-CD 3.34Å; Q105-E112 PolarHBondContact NE2-OE1 2.61Å; Q105-E112 VanDerWaalsContact NE2-OE1 3.08Å; Q105-E112 PolarHBondContact NE2-OE2 2.83Å; Q105-I115 HydrophobicContact CB-CD1 3.9Å; Q105-I115 HydrophobicContact CB-CG1 4.05Å; Q105-I115 HydrophobicContact CG-CG1 4.28Å; Q105-L383 HydrophobicContact CG-CD2 3.79Å; Q105-L383 HydrophobicContact CG-CG 4.14Å
106T96.8Very high97.1Very high5 Ų522.2 Ų22.23%0.03112%0.122CC..Hα-helixtrans-60.4-38.7-179.1-61.60000111.9V35 F38 A102 W407V35-T106 HydrophobicContact CG2-CG2 4.12Å; F38-T106 HydrophobicContact CB-CG2 3.78Å; F38-T106 HydrophobicContact CD1-CG2 3.61Å; F38-T106 VanDerWaalsContact CD1-OG1 3.24Å; F38-T106 WeakPolarHBondContact CD1-OG1 3.38Å; F38-T106 HydrophobicContact CD2-CG2 4.46Å; F38-T106 HydrophobicContact CE1-CG2 4.38Å; F38-T106 HydrophobicContact CG-CG2 3.68Å; A102-T106 WeakPolarHBondContact O-CB 3.35Å; A102-T106 PolarHBondContact O-N 2.93Å; A102-T106 PolarHBondContact O-OG1 3.15Å; T106-W407 HydrophobicContact CG2-CH2 4.13Å; T106-W407 HydrophobicContact CG2-CZ3 3.65Å
107L96Very high97.1Very high26 Ų2621.4 Ų21.414%0.13612%0.122CC..THydrogen-bonded Turntrans-89.8-2.7179.9-63.5175.3000113.6M1 Q31 S34 V35 W103 Q105 L109M1-L107 HydrophobicContact SD-CD2 3.78Å; Q31-L107 HydrophobicContact CB-CD1 3.83Å; Q31-L107 HydrophobicContact CB-CD2 4.13Å; Q31-L107 HydrophobicContact CG-CD1 4.11Å; Q31-L107 HydrophobicContact CG-CD2 4.14Å; S34-L107 WeakPolarHBondContact OG-CD2 3.34Å; V35-L107 HydrophobicContact CG2-CD1 3.8Å; V35-L107 HydrophobicContact CG2-CD2 3.84Å; V35-L107 HydrophobicContact CG2-CG 3.61Å; W103-L107 HydrophobicContact CD2-CD1 4.08Å; W103-L107 HydrophobicContact CG-CD1 4.31Å; W103-L107 HydrophobicContact CZ2-CD1 3.96Å; W103-L107 WeakPolarHBondContact O-CB 3.28Å; W103-L107 PolarHBondContact O-N 2.93Å; Q105-L107 VanDerWaalsContact C-N 3.28Å; Q105-L107 PolarHBondContact O-N 2.89Å; L107-L109 VanDerWaalsContact C-N 3.28Å; L107-L109 HydrophobicContact CB-CD1 4.45Å; L107-L109 HydrophobicContact CB-CD2 3.82Å; L107-L109 HydrophobicContact CB-CG 3.8Å; L107-L109 HydrophobicContact CD1-CD1 4.35Å; L107-L109 PolarHBondContact O-N 3.16Å
108A95.7Very high97.1Very high54 Ų5421.5 Ų21.545%0.44612%0.122SC..THydrogen-bonded Turntrans51.543.1-173.500000113.2A104 Q105 V110A104-A108 WeakPolarHBondContact O-CA 3.49Å; A104-A108 PolarHBondContact O-N 3.28Å; A104-A108 VanDerWaalsContact O-N 3.08Å; Q105-A108 PolarHBondContact O-N 3.47Å; Q105-A108 VanDerWaalsContact O-N 3.13Å; A108-V110 VanDerWaalsContact C-N 3.29Å
109L95.7Very high97.2Very high69 Ų6921.5 Ų21.536%0.36112%0.122SC..  trans-71.2-28.2177.9-56.5-175.4000112.1P60 P61 A104 L107P60-L109 HydrophobicContact CB-CD1 4.5Å; P61-L109 HydrophobicContact CG-CD1 4.28Å; A104-L109 PolarHBondContact O-N 3.21Å; L107-L109 VanDerWaalsContact C-N 3.28Å; L107-L109 HydrophobicContact CB-CD1 4.45Å; L107-L109 HydrophobicContact CB-CD2 3.82Å; L107-L109 HydrophobicContact CB-CG 3.8Å; L107-L109 HydrophobicContact CD1-CD1 4.35Å; L107-L109 PolarHBondContact O-N 3.16Å
110V96.5Very high97.1Very high25 Ų2521.5 Ų21.515%0.15212%0.123CC..SBendtrans-132.7164.2178-55.80000109.4A63 A104 A108 I115A63-V110 HydrophobicContact CB-CB 4.2Å; A63-V110 HydrophobicContact CB-CG1 3.86Å; A104-V110 HydrophobicContact CB-CG2 4.03Å; A108-V110 VanDerWaalsContact C-N 3.29Å; V110-I115 HydrophobicContact CG2-CD1 3.44Å; V110-I115 VanDerWaalsContact CG2-CD1 3.44Å; V110-I115 HydrophobicContact CG2-CG1 3.86Å
111T96.9Very high97.1Very high78 Ų7824.6 Ų24.648%0.47914%0.135SC..  trans-71.1156.5178.262.90000111.4E113 S114 I115T111-E113 PolarHBondContact O-N 2.73Å; T111-S114 WeakPolarHBondContact O-CA 3.49Å; T111-S114 WeakPolarHBondContact O-CB 3.47Å; T111-S114 PolarHBondContact O-N 3.45Å; T111-S114 PolarHBondContact OG1-N 3.02Å; T111-S114 PolarHBondContact OG1-OG 2.93Å; T111-I115 PolarHBondContact O-N 2.68Å; T111-I115 VanDerWaalsContact O-N 3.1Å
112E97.2Very high97.1Very high18 Ų1824.6 Ų24.68%0.08414%0.135CC..Hα-helixtrans-58.6-35.2174.1-172.961.9-159.900111.6Q105 S114 I115 L116 L375 R378 R379 N382Q105-E112 VanDerWaalsContact NE2-CD 3.34Å; Q105-E112 PolarHBondContact NE2-OE1 2.61Å; Q105-E112 VanDerWaalsContact NE2-OE1 3.08Å; Q105-E112 PolarHBondContact NE2-OE2 2.83Å; E112-S114 PolarHBondContact O-N 3.47Å; E112-I115 WeakPolarHBondContact O-CB 3.33Å; E112-I115 PolarHBondContact O-N 3.12Å; E112-I115 VanDerWaalsContact O-N 3.1Å; E112-L116 HydrophobicContact CG-CG 4.49Å; E112-L116 WeakPolarHBondContact O-CG 3.31Å; E112-L116 PolarHBondContact O-N 2.68Å; E112-L375 HydrophobicContact CB-CD2 4.45Å; E112-R378 HydrophobicContact CG-CB 4.45Å; E112-R379 HydrophobicContact CB-CB 4.35Å; E112-R379 VanDerWaalsContact CD-CA 3.47Å; E112-R379 HydrophobicContact CG-CB 3.88Å; E112-N382 PolarHBondContact OE1-ND2 3.46Å
113E96.8Very high97.2Very high71 Ų7124.6 Ų24.633%0.33214%0.135SC..Hα-helixtrans-56.7-39.2173.5-67.8177.710500112.1T111 Q117 L350 R371 L375T111-E113 PolarHBondContact O-N 2.73Å; E113-Q117 PolarHBondContact O-N 3.23Å; E113-Q117 VanDerWaalsContact O-N 3.13Å; E113-L350 HydrophobicContact CG-CD1 3.74Å; E113-R371 VanDerWaalsContact CD-NH2 3.3Å; E113-R371 IonicContact OE1-CZ 3.71Å; E113-R371 IonicContact OE1-NH1 3Å; E113-R371 PolarHBondContact OE1-NH1 3.4Å; E113-R371 IonicContact OE1-NH2 3.33Å; E113-R371 PolarHBondContact OE1-NH2 3.1Å; E113-R371 VanDerWaalsContact OE1-NH2 3.07Å; E113-R371 IonicContact OE2-CZ 2.7Å; E113-R371 IonicContact OE2-NH2 3.93Å; E113-R371 PolarHBondContact OE2-NH2 3.27Å; E113-L375 HydrophobicContact CG-CD1 4.42Å; E113-L375 HydrophobicContact CG-CD2 3.54Å
114S97.2Very high97.2Very high26 Ų2625.4 Ų25.418%0.18214%0.139CC..Hα-helixtrans-71.4-37.1176.9-52.50000111.7T111 E112 Q117 Q118T111-S114 WeakPolarHBondContact O-CA 3.49Å; T111-S114 WeakPolarHBondContact O-CB 3.47Å; T111-S114 PolarHBondContact O-N 3.45Å; T111-S114 PolarHBondContact OG1-N 3.02Å; T111-S114 PolarHBondContact OG1-OG 2.93Å; E112-S114 PolarHBondContact O-N 3.47Å; S114-Q117 PolarHBondContact O-N 2.91Å; S114-Q118 VanDerWaalsContact O-CG 3.3Å; S114-Q118 WeakPolarHBondContact O-CG 3.41Å; S114-Q118 PolarHBondContact O-N 3.24Å
115I98.1Very high97.2Very high0 Ų026 Ų260%014%0.142CC..Hα-helixtrans-61.8-45.9174.1-63.2-60.5000110.9I101 A104 Q105 V110 T111 E112 Q117 Q118 L119I101-I115 HydrophobicContact CG2-CD1 4.13Å; I101-I115 HydrophobicContact CG2-CG2 3.83Å; A104-I115 HydrophobicContact CB-CD1 3.95Å; Q105-I115 HydrophobicContact CB-CD1 3.9Å; Q105-I115 HydrophobicContact CB-CG1 4.05Å; Q105-I115 HydrophobicContact CG-CG1 4.28Å; V110-I115 HydrophobicContact CG2-CD1 3.44Å; V110-I115 VanDerWaalsContact CG2-CD1 3.44Å; V110-I115 HydrophobicContact CG2-CG1 3.86Å; T111-I115 PolarHBondContact O-N 2.68Å; T111-I115 VanDerWaalsContact O-N 3.1Å; E112-I115 WeakPolarHBondContact O-CB 3.33Å; E112-I115 PolarHBondContact O-N 3.12Å; E112-I115 VanDerWaalsContact O-N 3.1Å; I115-Q117 VanDerWaalsContact C-N 3.3Å; I115-Q117 PolarHBondContact O-N 3.02Å; I115-Q118 PolarHBondContact O-N 3.32Å; I115-L119 HydrophobicContact CG2-CD1 3.81Å; I115-L119 HydrophobicContact CG2-CG 4.29Å; I115-L119 WeakPolarHBondContact O-CB 3.37Å; I115-L119 WeakPolarHBondContact O-CG 3.06Å; I115-L119 PolarHBondContact O-N 3.11Å
116L97.5Very high97.3Very high5 Ų525.9 Ų25.93%0.02614%0.142CC..Hα-helixtrans-58.5-42.4176.3-68.2-176.2000112.1E112 S120 E167 L168 Y374 R378 N382E112-L116 HydrophobicContact CG-CG 4.49Å; E112-L116 WeakPolarHBondContact O-CG 3.31Å; E112-L116 PolarHBondContact O-N 2.68Å; L116-S120 WeakPolarHBondContact O-CB 3.38Å; L116-S120 PolarHBondContact O-N 3.18Å; L116-S120 VanDerWaalsContact O-N 3.1Å; L116-S120 PolarHBondContact O-OG 3.41Å; L116-E167 HydrophobicContact CD1-CB 4.39Å; L116-L168 WeakPolarHBondContact CD2-O 3.37Å; L116-Y374 HydrophobicContact CD1-CE1 4.5Å; L116-R378 VanDerWaalsContact CD2-CZ 3.46Å; L116-N382 WeakPolarHBondContact CD2-ND2 3.45Å
117Q96.9Very high97.3Very high64 Ų6425.7 Ų25.730%0.29914%0.14SC..Hα-helixtrans-62.9-48.7174.517961.936.300111.3W66 E113 S114 I115 L119 S120 Y121W66-Q117 HydrophobicContact CD2-CG 4.11Å; W66-Q117 HydrophobicContact CG-CG 4.14Å; W66-Q117 HydrophobicContact CZ2-CG 4.36Å; E113-Q117 PolarHBondContact O-N 3.23Å; E113-Q117 VanDerWaalsContact O-N 3.13Å; S114-Q117 PolarHBondContact O-N 2.91Å; I115-Q117 VanDerWaalsContact C-N 3.3Å; I115-Q117 PolarHBondContact O-N 3.02Å; Q117-L119 PolarHBondContact O-N 3.01Å; Q117-S120 PolarHBondContact O-N 2.92Å; Q117-Y121 VanDerWaalsContact O-CB 3.29Å; Q117-Y121 WeakPolarHBondContact O-CB 3.38Å; Q117-Y121 PolarHBondContact O-N 2.81Å
118Q98Very high97.4Very high1 Ų125.6 Ų25.61%0.00514%0.141CC..Hα-helixtrans-60.2-46.4-179.9-74.5176.10.200112.1Q62 A63 W66 Y69 I101 S114 I115 S120 Y121 L122Q62-Q118 PolarHBondContact O-NE2 3.26Å; A63-Q118 PolarHBondContact O-NE2 3.2Å; W66-Q118 HydrophobicContact CB-CG 4.16Å; Y69-Q118 HydrophobicContact CE2-CB 4.47Å; I101-Q118 HydrophobicContact CD1-CB 3.86Å; I101-Q118 HydrophobicContact CG1-CB 4.02Å; S114-Q118 VanDerWaalsContact O-CG 3.3Å; S114-Q118 WeakPolarHBondContact O-CG 3.41Å; S114-Q118 PolarHBondContact O-N 3.24Å; I115-Q118 PolarHBondContact O-N 3.32Å; Q118-S120 VanDerWaalsContact C-N 3.34Å; Q118-S120 PolarHBondContact O-N 3.48Å; Q118-Y121 PolarHBondContact O-N 3.14Å; Q118-L122 VanDerWaalsContact O-CB 3.26Å; Q118-L122 WeakPolarHBondContact O-CB 3.14Å; Q118-L122 PolarHBondContact O-N 2.89Å
119L98Very high97.5Very high0 Ų023.3 Ų23.30%012%0.122CC..Hα-helixtrans-59.2-45.4177.1-73.6169000111.8M98 I101 I115 Q117 A123 L168 F170M98-L119 HydrophobicContact CE-CD2 3.86Å; M98-L119 HydrophobicContact SD-CD2 3.5Å; M98-L119 WeakPolarHBondContact SD-CD2 3.44Å; I101-L119 HydrophobicContact CD1-CD2 3.88Å; I101-L119 HydrophobicContact CD1-CG 4.22Å; I101-L119 HydrophobicContact CG2-CD2 3.9Å; I101-L119 HydrophobicContact CG2-CG 4.01Å; I115-L119 HydrophobicContact CG2-CD1 3.81Å; I115-L119 HydrophobicContact CG2-CG 4.29Å; I115-L119 WeakPolarHBondContact O-CB 3.37Å; I115-L119 WeakPolarHBondContact O-CG 3.06Å; I115-L119 PolarHBondContact O-N 3.11Å; Q117-L119 PolarHBondContact O-N 3.01Å; L119-A123 PolarHBondContact O-N 3.12Å; L119-L168 HydrophobicContact CB-CB 4.16Å; L119-L168 HydrophobicContact CB-CD2 4.33Å; L119-F170 HydrophobicContact CD1-CB 4.33Å; L119-F170 HydrophobicContact CD2-CD2 4.14Å
120S97.6Very high97.6Very high1 Ų120 Ų201%0.00710%0.104CC..Hα-helixtrans-69.6-41.7-178.2-54.10000112.1L116 Q117 Q118 A123 E124 G166 E167 L168L116-S120 WeakPolarHBondContact O-CB 3.38Å; L116-S120 PolarHBondContact O-N 3.18Å; L116-S120 VanDerWaalsContact O-N 3.1Å; L116-S120 PolarHBondContact O-OG 3.41Å; Q117-S120 PolarHBondContact O-N 2.92Å; Q118-S120 VanDerWaalsContact C-N 3.34Å; Q118-S120 PolarHBondContact O-N 3.48Å; S120-A123 PolarHBondContact O-N 3.33Å; S120-E124 PolarHBondContact O-N 2.96Å; S120-G166 WeakPolarHBondContact OG-CA 3.41Å; S120-G166 PolarHBondContact OG-O 2.97Å; S120-E167 PolarHBondContact OG-N 3.3Å; S120-L168 WeakPolarHBondContact OG-CB 3.21Å; S120-L168 PolarHBondContact OG-N 3.28Å
121Y97.4Very high97.6Very high70 Ų7020.4 Ų20.428%0.27510%0.103SC..Hα-helixtrans-72.7-32.8-179.4-151-97000112W66 Y69 Q117 Q118 T125W66-Y121 HydrophobicContact CB-CD1 4.11Å; W66-Y121 HydrophobicContact CB-CG 4.25Å; W66-Y121 HydrophobicContact CD2-CD1 4.44Å; W66-Y121 HydrophobicContact CD2-CG 4.3Å; W66-Y121 AromaticContact CE3-CD1 3.6Å; W66-Y121 HydrophobicContact CE3-CD1 3.6Å; W66-Y121 AromaticContact CE3-CD2 3.66Å; W66-Y121 HydrophobicContact CE3-CD2 3.66Å; W66-Y121 AromaticContact CE3-CE1 3.64Å; W66-Y121 HydrophobicContact CE3-CE1 3.64Å; W66-Y121 AromaticContact CE3-CE2 3.71Å; W66-Y121 HydrophobicContact CE3-CE2 3.71Å; W66-Y121 AromaticContact CE3-CG 3.59Å; W66-Y121 HydrophobicContact CE3-CG 3.59Å; W66-Y121 AromaticContact CE3-CZ 3.69Å; W66-Y121 HydrophobicContact CZ3-CD1 4.43Å; W66-Y121 AromaticContact CZ3-CD2 3.93Å; W66-Y121 HydrophobicContact CZ3-CD2 3.93Å; W66-Y121 HydrophobicContact CZ3-CE1 4.12Å; W66-Y121 AromaticContact CZ3-CE2 3.6Å; W66-Y121 HydrophobicContact CZ3-CE2 3.6Å; W66-Y121 HydrophobicContact CZ3-CG 4.32Å; W66-Y121 AromaticContact CZ3-CZ 3.69Å; W66-Y121 VanDerWaalsContact O-CD1 3.22Å; W66-Y121 WeakPolarHBondContact O-CD1 3.38Å; W66-Y121 WeakPolarHBondContact O-CE1 3.38Å; Y69-Y121 HydrophobicContact CD2-CD1 4.46Å; Q117-Y121 VanDerWaalsContact O-CB 3.29Å; Q117-Y121 WeakPolarHBondContact O-CB 3.38Å; Q117-Y121 PolarHBondContact O-N 2.81Å; Q118-Y121 PolarHBondContact O-N 3.14Å; Y121-T125 VanDerWaalsContact O-CB 3.23Å; Y121-T125 WeakPolarHBondContact O-CB 3.5Å; Y121-T125 PolarHBondContact O-N 2.86Å; Y121-T125 PolarHBondContact O-OG1 3.13Å
122L98.2Very high97.6Very high0 Ų019.8 Ų19.80%010%0.097CC..Hα-helixtrans-59.2-50.1169.8175.560.9000110.7Y69 F93 I97 M98 I101 Q118 E124 T125 L126Y69-L122 HydrophobicContact CD2-CB 4.18Å; Y69-L122 HydrophobicContact CE2-CB 4.11Å; F93-L122 HydrophobicContact CD1-CD1 3.95Å; F93-L122 HydrophobicContact CE1-CD1 3.78Å; I97-L122 HydrophobicContact CB-CD1 3.84Å; I97-L122 HydrophobicContact CB-CD2 3.94Å; I97-L122 HydrophobicContact CB-CG 4.5Å; I97-L122 HydrophobicContact CG1-CD1 4.08Å; I97-L122 HydrophobicContact CG2-CD1 3.95Å; I97-L122 HydrophobicContact CG2-CD2 3.84Å; I97-L122 HydrophobicContact CG2-CG 4.32Å; M98-L122 HydrophobicContact CE-CD2 4.06Å; I101-L122 HydrophobicContact CD1-CD2 4.22Å; Q118-L122 VanDerWaalsContact O-CB 3.26Å; Q118-L122 WeakPolarHBondContact O-CB 3.14Å; Q118-L122 PolarHBondContact O-N 2.89Å; L122-E124 PolarHBondContact O-N 3.43Å; L122-T125 PolarHBondContact O-N 3.42Å; L122-L126 HydrophobicContact CD1-CD1 3.61Å; L122-L126 HydrophobicContact CD1-CG 4.2Å; L122-L126 HydrophobicContact CG-CD1 3.82Å; L122-L126 WeakPolarHBondContact O-CD1 3.41Å; L122-L126 WeakPolarHBondContact O-CG 3.39Å; L122-L126 PolarHBondContact O-N 3.45Å
123A98.1Very high97.6Very high0 Ų021 Ų210%010%0.101CC..Hα-helixtrans-59.8-47.8178.300000111.7L119 S120 T125 L126 I127 L163 L168 I174 Y220L119-A123 PolarHBondContact O-N 3.12Å; S120-A123 PolarHBondContact O-N 3.33Å; A123-T125 PolarHBondContact O-N 3.14Å; A123-L126 PolarHBondContact O-N 3.04Å; A123-I127 WeakPolarHBondContact O-CB 3.49Å; A123-I127 WeakPolarHBondContact O-CD1 3.3Å; A123-I127 WeakPolarHBondContact O-CG1 3.46Å; A123-I127 PolarHBondContact O-N 3.41Å; A123-L163 HydrophobicContact CB-CD1 3.77Å; A123-L168 HydrophobicContact CB-CD1 4.37Å; A123-L168 HydrophobicContact CB-CD2 4.25Å; A123-I174 HydrophobicContact CB-CG2 4.42Å; A123-Y220 HydrophobicContact CB-CE1 4.31Å; A123-Y220 HydrophobicContact CB-CE2 3.86Å
124E97.8Very high97.6Very high19 Ų1917.6 Ų17.69%0.0899%0.085CC..Hα-helixtrans-58.3-47.4175.7175.4162.8-15700112.5S120 L122 L126 I127 V128 R262 M264 G265S120-E124 PolarHBondContact O-N 2.96Å; L122-E124 PolarHBondContact O-N 3.43Å; E124-L126 VanDerWaalsContact C-N 3.31Å; E124-L126 PolarHBondContact O-N 2.97Å; E124-I127 PolarHBondContact O-N 3.37Å; E124-V128 HydrophobicContact CG-CG2 4.24Å; E124-V128 WeakPolarHBondContact O-CB 3.32Å; E124-V128 VanDerWaalsContact O-CG2 3.24Å; E124-V128 WeakPolarHBondContact O-CG2 3.38Å; E124-V128 PolarHBondContact O-N 2.92Å; E124-R262 IonicContact OE1-CZ 3.5Å; E124-R262 IonicContact OE1-NH1 3.08Å; E124-R262 PolarHBondContact OE1-NH1 3.39Å; E124-R262 IonicContact OE2-CZ 2.78Å; E124-R262 IonicContact OE2-NH1 3.34Å; E124-R262 PolarHBondContact OE2-NH1 3.11Å; E124-R262 IonicContact OE2-NH2 3.04Å; E124-R262 PolarHBondContact OE2-NH2 3.4Å; E124-M264 HydrophobicContact CB-SD 3.77Å; E124-M264 HydrophobicContact CG-SD 3.68Å; E124-G265 PolarHBondContact OE1-N 2.92Å
125T98.1Very high97.6Very high12 Ų1218.4 Ų18.47%0.0748%0.084CC..Hα-helixtrans-57.7-45.2179.8-63.60000111.3A70 L73 Y121 L122 A123 A129A70-T125 HydrophobicContact CB-CG2 4.28Å; L73-T125 HydrophobicContact CB-CG2 4.32Å; L73-T125 HydrophobicContact CD2-CG2 3.79Å; Y121-T125 VanDerWaalsContact O-CB 3.23Å; Y121-T125 WeakPolarHBondContact O-CB 3.5Å; Y121-T125 PolarHBondContact O-N 2.86Å; Y121-T125 PolarHBondContact O-OG1 3.13Å; L122-T125 PolarHBondContact O-N 3.42Å; A123-T125 PolarHBondContact O-N 3.14Å; T125-A129 VanDerWaalsContact O-CB 3.3Å; T125-A129 WeakPolarHBondContact O-CB 3.39Å; T125-A129 PolarHBondContact O-N 2.82Å
126L98.3Very high97.4Very high0 Ų022.6 Ų22.60%011%0.107CC..Hα-helixtrans-69-40.7179.6-71.7161.9000112.3L73 L90 F93 R94 L122 A123 E124 A130 V219 Y220L73-L126 HydrophobicContact CD1-CD2 4.49Å; L73-L126 HydrophobicContact CD2-CD2 3.96Å; L90-L126 HydrophobicContact CB-CD2 4.17Å; L90-L126 HydrophobicContact CD2-CD2 3.57Å; L90-L126 HydrophobicContact CG-CD2 4.47Å; F93-L126 HydrophobicContact CD1-CD2 4.02Å; R94-L126 HydrophobicContact CB-CD1 3.65Å; R94-L126 HydrophobicContact CG-CD1 3.83Å; L122-L126 HydrophobicContact CD1-CD1 3.61Å; L122-L126 HydrophobicContact CD1-CG 4.2Å; L122-L126 HydrophobicContact CG-CD1 3.82Å; L122-L126 WeakPolarHBondContact O-CD1 3.41Å; L122-L126 WeakPolarHBondContact O-CG 3.39Å; L122-L126 PolarHBondContact O-N 3.45Å; A123-L126 PolarHBondContact O-N 3.04Å; E124-L126 VanDerWaalsContact C-N 3.31Å; E124-L126 PolarHBondContact O-N 2.97Å; L126-A130 VanDerWaalsContact O-CB 3.24Å; L126-A130 WeakPolarHBondContact O-CB 3.42Å; L126-A130 PolarHBondContact O-N 3.04Å; L126-V219 HydrophobicContact CB-CG1 4.08Å; L126-V219 HydrophobicContact CD1-CG1 3.75Å; L126-V219 HydrophobicContact CD2-CG1 4.24Å; L126-V219 HydrophobicContact CG-CG1 4.25Å; L126-Y220 HydrophobicContact CD1-CE2 3.71Å
127I98Very high97.3Very high0 Ų022.9 Ų22.90%011%0.11CC..Hα-helixtrans-62-48176.1-69.9161.7000110.5A123 E124 A130 R131 I157 L163 I174 L176 L210 M264A123-I127 WeakPolarHBondContact O-CB 3.49Å; A123-I127 WeakPolarHBondContact O-CD1 3.3Å; A123-I127 WeakPolarHBondContact O-CG1 3.46Å; A123-I127 PolarHBondContact O-N 3.41Å; E124-I127 PolarHBondContact O-N 3.37Å; I127-A130 PolarHBondContact O-N 3.25Å; I127-R131 WeakPolarHBondContact O-CB 3.31Å; I127-R131 PolarHBondContact O-N 2.72Å; I127-I157 HydrophobicContact CG2-CD1 3.73Å; I127-I157 HydrophobicContact CG2-CG2 4.28Å; I127-L163 HydrophobicContact CD1-CD2 3.75Å; I127-I174 HydrophobicContact CD1-CD1 3.76Å; I127-I174 HydrophobicContact CG1-CD1 3.82Å; I127-L176 HydrophobicContact CD1-CD2 4.13Å; I127-L210 HydrophobicContact CG1-CD1 4.24Å; I127-M264 HydrophobicContact CG2-CB 4.35Å; I127-M264 HydrophobicContact CG2-CG 4.43Å
128V97.5Very high97.2Very high25 Ų2519.9 Ų19.915%0.15210%0.096CC..Hα-helixtrans-65.9-47.9-177.4170.60000110.8E124 A130 R131 D132 M264 G265E124-V128 HydrophobicContact CG-CG2 4.24Å; E124-V128 WeakPolarHBondContact O-CB 3.32Å; E124-V128 VanDerWaalsContact O-CG2 3.24Å; E124-V128 WeakPolarHBondContact O-CG2 3.38Å; E124-V128 PolarHBondContact O-N 2.92Å; V128-A130 VanDerWaalsContact C-N 3.33Å; V128-A130 PolarHBondContact O-N 3.02Å; V128-R131 WeakPolarHBondContact O-CB 3.48Å; V128-R131 PolarHBondContact O-N 2.81Å; V128-D132 WeakPolarHBondContact CG1-OD2 3.32Å; V128-D132 WeakPolarHBondContact O-CB 3.45Å; V128-D132 VanDerWaalsContact O-CG 3.23Å; V128-D132 PolarHBondContact O-N 3.45Å; V128-M264 HydrophobicContact CG2-CB 4.21Å; V128-G265 VanDerWaalsContact CG2-CA 3.45Å
129A97.5Very high97.1Very high5 Ų520.7 Ų20.74%0.04110%0.102CC..Hα-helixtrans-61.4-41.2177.800000112.2L73 L77 T125 W133L73-A129 HydrophobicContact CD2-CB 3.5Å; L73-A129 HydrophobicContact CG-CB 4.32Å; L77-A129 HydrophobicContact CD1-CB 4.01Å; T125-A129 VanDerWaalsContact O-CB 3.3Å; T125-A129 WeakPolarHBondContact O-CB 3.39Å; T125-A129 PolarHBondContact O-N 2.82Å; A129-W133 WeakPolarHBondContact O-CB 3.37Å; A129-W133 PolarHBondContact O-N 2.82Å; A129-W133 VanDerWaalsContact O-N 3.08Å
130A97.9Very high96.8Very high0 Ų029 Ų290%013%0.133CC..Hα-helixtrans-64-44175.400000111.8L90 L126 I127 V128 L134 L206 V209 L210L90-A130 HydrophobicContact CD1-CB 3.83Å; L126-A130 VanDerWaalsContact O-CB 3.24Å; L126-A130 WeakPolarHBondContact O-CB 3.42Å; L126-A130 PolarHBondContact O-N 3.04Å; I127-A130 PolarHBondContact O-N 3.25Å; V128-A130 VanDerWaalsContact C-N 3.33Å; V128-A130 PolarHBondContact O-N 3.02Å; A130-L134 VanDerWaalsContact O-CB 3.25Å; A130-L134 WeakPolarHBondContact O-CB 3.3Å; A130-L134 WeakPolarHBondContact O-CD1 3.42Å; A130-L134 VanDerWaalsContact O-CG 3.22Å; A130-L134 WeakPolarHBondContact O-CG 3.46Å; A130-L134 PolarHBondContact O-N 3.35Å; A130-L206 HydrophobicContact CB-CD1 3.65Å; A130-V209 HydrophobicContact CB-CG1 4.22Å; A130-L210 HydrophobicContact CB-CD2 3.92Å; A130-L210 HydrophobicContact CB-CG 4.42Å
131R97.5Very high96.6Very high34 Ų3433.9 Ų33.913%0.12816%0.155CC..Hα-helixtrans-59.2-50.6176.3179.1-156.865-169.5-2.4111.1I127 V128 L134 Y135 L155 I157 M202 M264I127-R131 WeakPolarHBondContact O-CB 3.31Å; I127-R131 PolarHBondContact O-N 2.72Å; V128-R131 WeakPolarHBondContact O-CB 3.48Å; V128-R131 PolarHBondContact O-N 2.81Å; R131-L134 PolarHBondContact O-N 2.85Å; R131-Y135 WeakPolarHBondContact O-CB 3.15Å; R131-Y135 PolarHBondContact O-N 3.44Å; R131-L155 WeakPolarHBondContact CD-O 3.25Å; R131-L155 HydrophobicContact CG-CD2 4.43Å; R131-I157 HydrophobicContact CB-CD1 4.03Å; R131-I157 HydrophobicContact CG-CD1 4.03Å; R131-M202 HydrophobicContact CG-CE 3.97Å; R131-M202 WeakPolarHBondContact O-CE 3.38Å; R131-M264 PolarHBondContact NH1-O 3.27Å
132D95.9Very high96.4Very high64 Ų6432.5 Ų32.534%0.34215%0.15SC..Hα-helixtrans-66.1-46.4-173.3-67.5-11.6000111.1V128 L134 Y135 D136V128-D132 WeakPolarHBondContact CG1-OD2 3.32Å; V128-D132 WeakPolarHBondContact O-CB 3.45Å; V128-D132 VanDerWaalsContact O-CG 3.23Å; V128-D132 PolarHBondContact O-N 3.45Å; D132-L134 VanDerWaalsContact C-N 3.32Å; D132-L134 PolarHBondContact O-N 3.24Å; D132-Y135 PolarHBondContact O-N 2.87Å; D132-D136 PolarHBondContact O-N 3.26Å; D132-D136 VanDerWaalsContact O-N 3.1Å
133W97.2Very high96.3Very high43 Ų4332.6 Ų32.616%0.16315%0.15CC..Hα-helixtrans-60.6-43.4176.4-167.6102.5000111.7D82 E83 L86 A129 A137D82-W133 VanDerWaalsContact C-CH2 3.44Å; E83-W133 HydrophobicContact CB-CH2 4.37Å; E83-W133 HydrophobicContact CB-CZ3 4.34Å; L86-W133 HydrophobicContact CB-CD2 4.44Å; L86-W133 HydrophobicContact CD1-CB 4.19Å; L86-W133 HydrophobicContact CD1-CD2 4.44Å; L86-W133 HydrophobicContact CD1-CG 4.05Å; L86-W133 HydrophobicContact CD2-CB 4.12Å; L86-W133 HydrophobicContact CD2-CD2 3.74Å; L86-W133 HydrophobicContact CD2-CE3 3.52Å; L86-W133 HydrophobicContact CD2-CG 4Å; L86-W133 HydrophobicContact CD2-CZ3 4.21Å; L86-W133 HydrophobicContact CG-CD2 4.43Å; A129-W133 WeakPolarHBondContact O-CB 3.37Å; A129-W133 PolarHBondContact O-N 2.82Å; A129-W133 VanDerWaalsContact O-N 3.08Å; W133-A137 HydrophobicContact CE3-CB 3.97Å; W133-A137 HydrophobicContact CH2-CB 4.22Å; W133-A137 HydrophobicContact CZ3-CB 3.63Å; W133-A137 WeakPolarHBondContact O-CB 3.24Å; W133-A137 PolarHBondContact O-N 3.24Å
134L97.3Very high96.2Very high0 Ų035.1 Ų35.10%017%0.166CC..Hα-helixtrans-70-34.6178.8-75.3173.8000112.7L86 A130 R131 D132 A137 C138 R205 L206 V209L86-L134 HydrophobicContact CD2-CG 4.38Å; A130-L134 VanDerWaalsContact O-CB 3.25Å; A130-L134 WeakPolarHBondContact O-CB 3.3Å; A130-L134 WeakPolarHBondContact O-CD1 3.42Å; A130-L134 VanDerWaalsContact O-CG 3.22Å; A130-L134 WeakPolarHBondContact O-CG 3.46Å; A130-L134 PolarHBondContact O-N 3.35Å; R131-L134 PolarHBondContact O-N 2.85Å; D132-L134 VanDerWaalsContact C-N 3.32Å; D132-L134 PolarHBondContact O-N 3.24Å; L134-A137 PolarHBondContact O-N 2.95Å; L134-C138 VanDerWaalsContact O-CB 3.27Å; L134-C138 WeakPolarHBondContact O-CB 3.08Å; L134-C138 PolarHBondContact O-N 3.36Å; L134-C138 PolarHBondContact O-SG 3.1Å; L134-R205 HydrophobicContact CD1-CB 4.26Å; L134-R205 HydrophobicContact CD2-CB 4.18Å; L134-L206 VanDerWaalsContact CD1-CA 3.4Å; L134-L206 HydrophobicContact CD1-CB 3.88Å; L134-L206 HydrophobicContact CD1-CD1 3.95Å; L134-V209 HydrophobicContact CD1-CB 4.33Å; L134-V209 HydrophobicContact CD1-CG2 4.06Å; L134-V209 HydrophobicContact CD2-CG2 4.3Å
135Y96.6Very high96.2Very high44 Ų4434.2 Ų34.217%0.17316%0.162CC..Hα-helixtrans-60.5-50.3175.5-175.6-100.5000109.7R131 D132 A137 C138 C139 P145 Q153 F198 M202R131-Y135 WeakPolarHBondContact O-CB 3.15Å; R131-Y135 PolarHBondContact O-N 3.44Å; D132-Y135 PolarHBondContact O-N 2.87Å; Y135-A137 PolarHBondContact O-N 3.39Å; Y135-C138 PolarHBondContact O-N 2.95Å; Y135-C139 VanDerWaalsContact CE1-SG 3.6Å; Y135-C139 WeakPolarHBondContact O-CB 3.18Å; Y135-C139 PolarHBondContact O-N 2.95Å; Y135-C139 PolarHBondContact O-SG 2.93Å; Y135-P145 HydrophobicContact CE2-CG 3.98Å; Y135-Q153 WeakPolarHBondContact CE2-O 3.37Å; Y135-Q153 PolarHBondContact OH-O 2.94Å; Y135-Q153 VanDerWaalsContact OH-O 3.14Å; Y135-F198 HydrophobicContact CD2-CE1 4.45Å; Y135-F198 HydrophobicContact CE2-CE1 4.33Å; Y135-M202 HydrophobicContact CD2-CE 3.98Å; Y135-M202 HydrophobicContact CD2-SD 3.88Å; Y135-M202 HydrophobicContact CG-CE 4.3Å
136D95Very high96.1Very high88 Ų8833.9 Ų33.947%0.47116%0.16SC..Hα-helixtrans-60.3-43.3177-80.5-8.8000112.6D132 R140D132-D136 PolarHBondContact O-N 3.26Å; D132-D136 VanDerWaalsContact O-N 3.1Å; D136-R140 WeakPolarHBondContact O-CG 3.19Å; D136-R140 PolarHBondContact O-N 3.03Å; D136-R140 VanDerWaalsContact O-N 3.08Å
137A94.5Very high95.9Very high11 Ų1134.1 Ų34.19%0.09116%0.161CC..Hα-helixtrans-63.9-45.217700000112.1W133 L134 Y135 R140 E141W133-A137 HydrophobicContact CE3-CB 3.97Å; W133-A137 HydrophobicContact CH2-CB 4.22Å; W133-A137 HydrophobicContact CZ3-CB 3.63Å; W133-A137 WeakPolarHBondContact O-CB 3.24Å; W133-A137 PolarHBondContact O-N 3.24Å; L134-A137 PolarHBondContact O-N 2.95Å; Y135-A137 PolarHBondContact O-N 3.39Å; A137-R140 PolarHBondContact O-N 3.21Å; A137-E141 WeakPolarHBondContact O-CB 3.36Å; A137-E141 PolarHBondContact O-N 2.77Å; A137-E141 VanDerWaalsContact O-N 3.09Å
138C95Very high95.5Very high0 Ų038.6 Ų38.60%020%0.198CC..Hα-helixtrans-67.9-38.6179.2-66.20000111.6L134 Y135 R140 E141 W142 F198L134-C138 VanDerWaalsContact O-CB 3.27Å; L134-C138 WeakPolarHBondContact O-CB 3.08Å; L134-C138 PolarHBondContact O-N 3.36Å; L134-C138 PolarHBondContact O-SG 3.1Å; Y135-C138 PolarHBondContact O-N 2.95Å; C138-R140 PolarHBondContact O-N 3.24Å; C138-E141 PolarHBondContact O-N 3.42Å; C138-W142 HydrophobicContact CB-CE3 3.86Å; C138-W142 HydrophobicContact CB-CZ3 3.91Å; C138-W142 PolarHBondContact O-N 3.33Å; C138-W142 VanDerWaalsContact SG-CZ3 3.57Å; C138-F198 HydrophobicContact CB-CE2 3.84Å; C138-F198 HydrophobicContact CB-CZ 3.67Å
139C95.3Very high95.2Very high19 Ų1943.8 Ų43.813%0.12822%0.221CC..Hα-helixtrans-61.7-42.4174.6-73.40000111.8Y135 E141 G143Y135-C139 VanDerWaalsContact CE1-SG 3.6Å; Y135-C139 WeakPolarHBondContact O-CB 3.18Å; Y135-C139 PolarHBondContact O-N 2.95Å; Y135-C139 PolarHBondContact O-SG 2.93Å; C139-E141 VanDerWaalsContact C-N 3.31Å; C139-E141 PolarHBondContact O-N 3.31Å; C139-G143 WeakPolarHBondContact CA-O 3.19Å; C139-G143 CarbonylContact O-C 3.42Å; C139-G143 WeakPolarHBondContact O-CA 3.21Å; C139-G143 PolarHBondContact O-N 3.41Å
140R92.6Very high94.9Very high174 Ų17445 Ų4566%0.65723%0.234SC*.Hα-helixtrans-64.1-34.5174-73.5-175.2-66-96.41.9113D136 A137 C138D136-R140 WeakPolarHBondContact O-CG 3.19Å; D136-R140 PolarHBondContact O-N 3.03Å; D136-R140 VanDerWaalsContact O-N 3.08Å; A137-R140 PolarHBondContact O-N 3.21Å; C138-R140 PolarHBondContact O-N 3.24Å
141E92.3Very high94.7Very high103 Ų10350.1 Ų50.148%0.48126%0.258SS..Hα-helixtrans-83.1-42-175.5-160.9-173.5146.200112.9A137 C138 C139 R205A137-E141 WeakPolarHBondContact O-CB 3.36Å; A137-E141 PolarHBondContact O-N 2.77Å; A137-E141 VanDerWaalsContact O-N 3.09Å; C138-E141 PolarHBondContact O-N 3.42Å; C139-E141 VanDerWaalsContact C-N 3.31Å; C139-E141 PolarHBondContact O-N 3.31Å; E141-R205 IonicContact OE2-NH1 3.94Å; E141-R205 PolarHBondContact OE2-NH1 3.48Å
142W94.1Very high94.6Very high42 Ų4251 Ų5116%0.15927%0.273CS..Hα-helixtrans-122.2-3-167.3-56.5-29.4000114.7C138 T186 L193 F198 R201C138-W142 HydrophobicContact CB-CE3 3.86Å; C138-W142 HydrophobicContact CB-CZ3 3.91Å; C138-W142 PolarHBondContact O-N 3.33Å; C138-W142 VanDerWaalsContact SG-CZ3 3.57Å; W142-T186 WeakPolarHBondContact O-CB 3.36Å; W142-T186 PolarHBondContact O-OG1 3.26Å; W142-L193 HydrophobicContact CB-CD1 3.71Å; W142-L193 HydrophobicContact CD2-CD1 4.36Å; W142-L193 HydrophobicContact CG-CD1 3.91Å; W142-F198 HydrophobicContact CB-CD2 4.26Å; W142-F198 HydrophobicContact CB-CE2 4.34Å; W142-F198 HydrophobicContact CE3-CD2 4.02Å; W142-F198 HydrophobicContact CE3-CE2 4.11Å; W142-R201 HydrophobicContact CH2-CB 3.7Å; W142-R201 HydrophobicContact CZ3-CB 3.64Å
143G95.3Very high94.5Very high1 Ų148 Ų481%0.0126%0.256CS..  trans91.3162.1-172.700000112.8C139 Q187 F198C139-G143 WeakPolarHBondContact CA-O 3.19Å; C139-G143 CarbonylContact O-C 3.42Å; C139-G143 WeakPolarHBondContact O-CA 3.21Å; C139-G143 PolarHBondContact O-N 3.41Å; G143-Q187 CarbonylContact C-O 3.55Å; G143-Q187 WeakPolarHBondContact CA-O 3.5Å; G143-F198 WeakPolarHBondContact O-CE2 3.08Å
144T96.6Very high94.4Very high53 Ų5347.8 Ų47.833%0.32526%0.261SS..EExtended strand (participates in β ladder)trans-81.7124.5-179.3-54.70000110.2C146 A152 T186 Q187T144-C146 PolarHBondContact O-N 2.85Å; T144-A152 HydrophobicContact CG2-CB 3.86Å; T144-T186 CarbonylContact O-C 3.49Å; T144-T186 VanDerWaalsContact O-CA 3.23Å; T144-T186 WeakPolarHBondContact O-CA 3.47Å; T144-Q187 PolarHBondContact N-O 3.15Å; T144-Q187 PolarHBondContact O-N 2.96Å
145P96.6Very high94.4Very high0 Ų048 Ų480%026%0.262CS..EExtended strand (participates in β ladder)trans-67.4124.3176.630-35.8000110.2Y135 A152 Q153 T186 N195 F198 F199Y135-P145 HydrophobicContact CE2-CG 3.98Å; P145-A152 CarbonylContact O-C 3.55Å; P145-A152 WeakPolarHBondContact O-CA 3.34Å; P145-Q153 HydrophobicContact CB-CB 4.47Å; P145-Q153 WeakPolarHBondContact CG-O 3.46Å; P145-Q153 PolarHBondContact O-N 3.48Å; P145-T186 HydrophobicContact CB-CG2 4.3Å; P145-N195 WeakPolarHBondContact CB-OD1 3.35Å; P145-F198 HydrophobicContact CB-CD1 3.99Å; P145-F198 HydrophobicContact CB-CE1 4.29Å; P145-F198 HydrophobicContact CB-CG 4.28Å; P145-F198 HydrophobicContact CG-CD1 3.78Å; P145-F198 HydrophobicContact CG-CE1 3.57Å; P145-F198 HydrophobicContact CG-CG 4.4Å; P145-F198 HydrophobicContact CG-CZ 3.99Å; P145-F199 HydrophobicContact CB-CE2 4.19Å; P145-F199 HydrophobicContact CB-CZ 4.02Å; P145-F199 HydrophobicContact CG-CE1 4.26Å; P145-F199 HydrophobicContact CG-CE2 4.46Å; P145-F199 HydrophobicContact CG-CZ 3.81Å
146C96.4Very high94.4Very high6 Ų646.4 Ų46.44%0.04126%0.256CS..EExtended strand (participates in β ladder)trans-124.6155.6-179.5-65.70000111.6T144 G150 E151 G184 C185 Q187 N195T144-C146 PolarHBondContact O-N 2.85Å; C146-G150 PolarHBondContact SG-O 3.14Å; C146-G150 VanDerWaalsContact SG-O 3.39Å; C146-E151 CarbonylContact C-O 3.18Å; C146-E151 WeakPolarHBondContact CA-O 3.34Å; C146-G184 CarbonylContact O-C 3.07Å; C146-G184 WeakPolarHBondContact O-CA 3.26Å; C146-C185 PolarHBondContact N-O 2.79Å; C146-C185 VanDerWaalsContact N-O 3.08Å; C146-C185 PolarHBondContact O-N 3.08Å; C146-C185 VanDerWaalsContact O-N 3.17Å; C146-Q187 HydrophobicContact CB-CG 4.25Å; C146-N195 PolarHBondContact O-ND2 3.45Å
147N93.9Very high94.6Very high4 Ų442.2 Ų42.22%0.02123%0.234CC..  trans-77.1-177.3164.666.29.7000110.8Q149 G150 E151 Q153 E182N147-Q149 PolarHBondContact O-N 3.42Å; N147-Q149 PolarHBondContact OD1-N 2.66Å; N147-Q149 VanDerWaalsContact OD1-N 3.13Å; N147-Q149 PolarHBondContact OD1-OE1 2.8Å; N147-G150 PolarHBondContact O-N 2.77Å; N147-G150 PolarHBondContact OD1-N 2.93Å; N147-E151 PolarHBondContact N-O 3.41Å; N147-E151 PolarHBondContact ND2-OE2 3.46Å; N147-E151 WeakPolarHBondContact OD1-CB 3.43Å; N147-E151 PolarHBondContact OD1-N 2.78Å; N147-Q153 HydrophobicContact CB-CG 4.43Å; N147-Q153 PolarHBondContact ND2-NE2 3.46Å; N147-E182 HydrophobicContact CB-CB 3.94Å; N147-E182 PolarHBondContact ND2-OE1 3.1Å
148A89.7Confident94.7Very high95 Ų9542 Ų4279%0.78523%0.231SC*.THydrogen-bonded Turntrans-61.4-23.8-17900000113.6G150A148-G150 VanDerWaalsContact C-N 3.34Å
149Q91.5Very high94.8Very high134 Ų13442 Ų4263%0.62623%0.231SC*.THydrogen-bonded Turntrans-87.2-5.2179.1-65.1749.600112.4N147 E151N147-Q149 PolarHBondContact O-N 3.42Å; N147-Q149 PolarHBondContact OD1-N 2.66Å; N147-Q149 VanDerWaalsContact OD1-N 3.13Å; N147-Q149 PolarHBondContact OD1-OE1 2.8Å; Q149-E151 HydrophobicContact CB-CG 4.22Å
150G91.1Very high94.8Very high31 Ų3141.2 Ų41.232%0.3223%0.225SC..SBendtrans86.79.2-178.300000114.2C146 N147 A148C146-G150 PolarHBondContact SG-O 3.14Å; C146-G150 VanDerWaalsContact SG-O 3.39Å; N147-G150 PolarHBondContact O-N 2.77Å; N147-G150 PolarHBondContact OD1-N 2.93Å; A148-G150 VanDerWaalsContact C-N 3.34Å
151E93.8Very high94.8Very high107 Ų10734.1 Ų34.150%0.521%0.207SC..PPolyproline II helixtrans-82.2130.8-179.9-54.4172152.400110.4C146 N147 Q149 Q153C146-E151 CarbonylContact C-O 3.18Å; C146-E151 WeakPolarHBondContact CA-O 3.34Å; N147-E151 PolarHBondContact N-O 3.41Å; N147-E151 PolarHBondContact ND2-OE2 3.46Å; N147-E151 WeakPolarHBondContact OD1-CB 3.43Å; N147-E151 PolarHBondContact OD1-N 2.78Å; Q149-E151 HydrophobicContact CB-CG 4.22Å; E151-Q153 PolarHBondContact O-NE2 3.39Å
152A94.9Very high94.9Very high52 Ų5230.3 Ų30.343%0.4319%0.189SC..BIsolated β-bridgetrans-64.3135.6-176.300000112T144 P145T144-A152 HydrophobicContact CG2-CB 3.86Å; P145-A152 CarbonylContact O-C 3.55Å; P145-A152 WeakPolarHBondContact O-CA 3.34Å
153Q95.2Very high95Very high0 Ų028.5 Ų28.50%018%0.182CC..PPolyproline II helixtrans-101.4124.3-177.8-60.5-58.8-6000110.2Y135 P145 N147 E151 E182 F199 Y271Y135-Q153 WeakPolarHBondContact CE2-O 3.37Å; Y135-Q153 PolarHBondContact OH-O 2.94Å; Y135-Q153 VanDerWaalsContact OH-O 3.14Å; P145-Q153 HydrophobicContact CB-CB 4.47Å; P145-Q153 WeakPolarHBondContact CG-O 3.46Å; P145-Q153 PolarHBondContact O-N 3.48Å; N147-Q153 HydrophobicContact CB-CG 4.43Å; N147-Q153 PolarHBondContact ND2-NE2 3.46Å; E151-Q153 PolarHBondContact O-NE2 3.39Å; Q153-E182 VanDerWaalsContact OE1-N 3.1Å; Q153-F199 HydrophobicContact CB-CE2 4.18Å; Q153-F199 HydrophobicContact CB-CZ 3.91Å; Q153-F199 VanDerWaalsContact O-CZ 3.31Å; Q153-F199 WeakPolarHBondContact O-CZ 3.13Å; Q153-Y271 PolarHBondContact NE2-OH 3.09Å
154P95.4Very high94.9Very high40 Ų4028.5 Ų28.526%0.2618%0.182SC..PPolyproline II helixtrans-86.3157.4177.633.7-35000112.6L156 P181 Y271P154-L156 HydrophobicContact CG-CD2 4.31Å; P154-P181 HydrophobicContact CG-CG 4.39Å; P154-Y271 HydrophobicContact CG-CD2 3.7Å; P154-Y271 HydrophobicContact CG-CE2 4.21Å
155L97Very high94.8Very high3 Ų326 Ų262%0.01617%0.167CC..PPolyproline II helixtrans-84.3117.1162.7-178.366.4000109.2R131 I157 F178 F199 M202 L206 V236R131-L155 WeakPolarHBondContact CD-O 3.25Å; R131-L155 HydrophobicContact CG-CD2 4.43Å; L155-I157 HydrophobicContact CG-CG1 4.45Å; L155-F178 HydrophobicContact CD1-CB 4.19Å; L155-F199 HydrophobicContact CB-CD1 4Å; L155-F199 HydrophobicContact CB-CE1 4Å; L155-F199 HydrophobicContact CD1-CD1 3.96Å; L155-M202 HydrophobicContact CB-CE 3.97Å; L155-M202 HydrophobicContact CB-SD 4.1Å; L155-M202 HydrophobicContact CD2-CE 3.67Å; L155-M202 HydrophobicContact CD2-CG 4.36Å; L155-M202 HydrophobicContact CD2-SD 3.97Å; L155-M202 HydrophobicContact CG-CE 4.47Å; L155-L206 HydrophobicContact CD2-CD2 4.19Å; L155-V236 HydrophobicContact CD1-CG1 3.98Å
156L96.8Very high94.8Very high12 Ų1226.8 Ų26.86%0.06318%0.175CC..EExtended strand (participates in β ladder)trans-95.6143171.3-60.2-172000110.8P154 F178 A179 F239 L275P154-L156 HydrophobicContact CG-CD2 4.31Å; L156-F178 WeakPolarHBondContact O-CA 3.41Å; L156-A179 PolarHBondContact N-O 2.78Å; L156-A179 PolarHBondContact O-N 2.79Å; L156-F239 HydrophobicContact CD1-CE1 3.97Å; L156-F239 HydrophobicContact CD1-CZ 3.57Å; L156-L275 HydrophobicContact CD1-CD2 4.1Å
157I97.8Very high94.8Very high0 Ų026.8 Ų26.80%017%0.174CC..EExtended strand (participates in β ladder)trans-127118.6-178.4-56.3171.6000107.8I127 R131 L155 L176 I177 F178 L206 I263 M264I127-I157 HydrophobicContact CG2-CD1 3.73Å; I127-I157 HydrophobicContact CG2-CG2 4.28Å; R131-I157 HydrophobicContact CB-CD1 4.03Å; R131-I157 HydrophobicContact CG-CD1 4.03Å; L155-I157 HydrophobicContact CG-CG1 4.45Å; I157-L176 HydrophobicContact CG2-CB 4.28Å; I157-L176 HydrophobicContact CG2-CD1 4.23Å; I157-L176 HydrophobicContact CG2-CD2 3.9Å; I157-L176 HydrophobicContact CG2-CG 4.36Å; I157-I177 WeakPolarHBondContact CA-O 3.31Å; I157-F178 HydrophobicContact CB-CD1 4.28Å; I157-F178 HydrophobicContact CB-CE1 4.41Å; I157-F178 HydrophobicContact CD1-CE1 4.2Å; I157-F178 HydrophobicContact CG1-CD1 3.82Å; I157-F178 HydrophobicContact CG1-CE1 3.91Å; I157-F178 HydrophobicContact CG2-CD1 4Å; I157-F178 HydrophobicContact CG2-CE1 3.82Å; I157-L206 HydrophobicContact CD1-CD2 3.56Å; I157-I263 CarbonylContact O-C 3.52Å; I157-I263 WeakPolarHBondContact O-CA 3.43Å; I157-M264 HydrophobicContact CB-CB 4.38Å; I157-M264 HydrophobicContact CG2-CG 4.32Å; I157-M264 PolarHBondContact O-N 3.42Å
158L96.7Very high94.9Very high6 Ų626.6 Ų26.63%0.03117%0.173CC..EExtended strand (participates in β ladder)trans-90.6121.7167-61.7172.8000108.4M160 L176 I177 M258 R262 I263 L275 L279L158-M160 HydrophobicContact CB-SD 4.24Å; L158-L176 CarbonylContact O-C 3.58Å; L158-L176 WeakPolarHBondContact O-CA 3.49Å; L158-I177 HydrophobicContact CB-CB 4.23Å; L158-I177 HydrophobicContact CD1-CB 4.5Å; L158-I177 PolarHBondContact N-O 3.17Å; L158-I177 PolarHBondContact O-N 2.98Å; L158-M258 HydrophobicContact CD1-CE 4.19Å; L158-R262 CarbonylContact C-O 3.57Å; L158-R262 WeakPolarHBondContact CA-O 3.39Å; L158-I263 HydrophobicContact CD2-CB 4.41Å; L158-I263 HydrophobicContact CD2-CG1 3.49Å; L158-I263 VanDerWaalsContact CD2-CG1 3.49Å; L158-L275 HydrophobicContact CD1-CD2 4.34Å; L158-L275 HydrophobicContact CD2-CD2 4.06Å; L158-L275 HydrophobicContact CG-CD2 4.28Å; L158-L279 HydrophobicContact CD1-CD1 3.98Å
159G97Very high95.1Very high0 Ų022.3 Ų22.30%014%0.137CC..EExtended strand (participates in β ladder)trans-81.7135.1161.200000110.5G164 A261 R262G159-G164 VanDerWaalsContact O-CA 3.29Å; G159-G164 WeakPolarHBondContact O-CA 3.37Å; G159-A261 WeakPolarHBondContact O-CA 3.35Å; G159-R262 PolarHBondContact N-O 3Å; G159-R262 PolarHBondContact O-N 2.95Å
160M95.5Very high95.3Very high2 Ų215.9 Ų15.91%0.0111%0.107CC..  trans-105.4171.4-177.8-55.1-58.3-70.600110.5L158 K162 L163 G164 D175 I177 L226 A257 M258 A261L158-M160 HydrophobicContact CB-SD 4.24Å; M160-K162 PolarHBondContact O-N 3.08Å; M160-L163 PolarHBondContact O-N 3.46Å; M160-G164 PolarHBondContact O-N 2.93Å; M160-G164 VanDerWaalsContact O-N 3.16Å; M160-D175 HydrophobicContact CB-CB 3.7Å; M160-D175 WeakPolarHBondContact CB-O 3.36Å; M160-D175 HydrophobicContact CG-CB 4.49Å; M160-D175 PolarHBondContact N-O 3.15Å; M160-I177 HydrophobicContact CE-CD1 3.99Å; M160-I177 HydrophobicContact CG-CD1 4.14Å; M160-I177 HydrophobicContact CG-CG1 4.04Å; M160-I177 HydrophobicContact SD-CD1 3.79Å; M160-I177 HydrophobicContact SD-CG1 4.2Å; M160-L226 HydrophobicContact CB-CD1 3.9Å; M160-L226 HydrophobicContact CG-CD1 4.34Å; M160-A257 HydrophobicContact CE-CB 4.35Å; M160-M258 HydrophobicContact CE-CG 4.49Å; M160-M258 HydrophobicContact CE-SD 3.43Å; M160-M258 WeakPolarHBondContact CE-SD 3.35Å; M160-M258 HydrophobicContact SD-SD 4.23Å; M160-A261 HydrophobicContact CE-CB 4.16Å; M160-A261 HydrophobicContact SD-CB 3.71Å
161G92.6Very high95.4Very high26 Ų2614.6 Ų14.627%0.2689%0.093SC..Hα-helixtrans53.2-131173.400000113.6L163 G164 G165 K260G161-L163 VanDerWaalsContact C-N 3.35Å; G161-L163 PolarHBondContact O-N 2.85Å; G161-G164 PolarHBondContact O-N 3.22Å; G161-G165 PolarHBondContact O-N 3.36Å; G161-K260 WeakPolarHBondContact O-CB 3.15Å
162K93.9Very high95.2Very high23 Ų2310.7 Ų10.710%0.18%0.078CC..Hα-helixtrans-65.7-34.9-176.6-71.7175.9171.147.60113.1M160 G165 G166 E167 L168 N169 E327M160-K162 PolarHBondContact O-N 3.08Å; K162-G165 PolarHBondContact O-N 3.25Å; K162-G166 PolarHBondContact O-N 3.35Å; K162-E167 HydrophobicContact CB-CG 4.31Å; K162-E167 WeakPolarHBondContact CB-O 3.4Å; K162-E167 HydrophobicContact CG-CG 4.4Å; K162-E167 CarbonylContact O-C 3.59Å; K162-E167 PolarHBondContact O-N 3.47Å; K162-L168 PolarHBondContact O-N 3.32Å; K162-N169 WeakPolarHBondContact CD-OD1 3.46Å; K162-N169 VanDerWaalsContact CE-OD1 3.24Å; K162-N169 WeakPolarHBondContact CE-OD1 3.42Å; K162-E327 IonicContact NZ-OE1 3.65Å; K162-E327 PolarHBondContact NZ-OE1 3.35Å; K162-E327 IonicContact NZ-OE2 2.93Å
163L96.7Very high95.1Very high3 Ų310.5 Ų10.52%0.0167%0.069CC..Hα-helixtrans-63.6-48.6176.9173.362.3000110.7A123 I127 M160 G161 G165 G166 L168 I174 L176 M264A123-L163 HydrophobicContact CB-CD1 3.77Å; I127-L163 HydrophobicContact CD1-CD2 3.75Å; M160-L163 PolarHBondContact O-N 3.46Å; G161-L163 VanDerWaalsContact C-N 3.35Å; G161-L163 PolarHBondContact O-N 2.85Å; L163-G165 VanDerWaalsContact C-N 3.31Å; L163-G165 PolarHBondContact O-N 3.49Å; L163-G166 PolarHBondContact O-N 3.25Å; L163-G166 VanDerWaalsContact O-N 3.16Å; L163-L168 HydrophobicContact CB-CD1 3.71Å; L163-L168 HydrophobicContact CD1-CD1 3.97Å; L163-L168 HydrophobicContact CG-CD1 4.38Å; L163-I174 HydrophobicContact CD2-CB 3.99Å; L163-I174 HydrophobicContact CD2-CG2 3.97Å; L163-L176 HydrophobicContact CD2-CD2 3.71Å; L163-M264 HydrophobicContact CD1-CE 3.96Å; L163-M264 HydrophobicContact CD1-SD 4.37Å; L163-M264 HydrophobicContact CD2-CE 3.91Å; L163-M264 HydrophobicContact CG-CE 3.54Å; L163-M264 HydrophobicContact CG-SD 4.44Å
164G94.5Very high95.2Very high1 Ų110.5 Ų10.51%0.017%0.069CC..Hα-helixtrans-65.9-34.717900000113G159 M160 G161 G166 K260 R262G159-G164 VanDerWaalsContact O-CA 3.29Å; G159-G164 WeakPolarHBondContact O-CA 3.37Å; M160-G164 PolarHBondContact O-N 2.93Å; M160-G164 VanDerWaalsContact O-N 3.16Å; G161-G164 PolarHBondContact O-N 3.22Å; G164-G166 VanDerWaalsContact C-N 3.26Å; G164-G166 PolarHBondContact O-N 3.15Å; G164-K260 CarbonylContact C-O 3.6Å; G164-K260 WeakPolarHBondContact CA-O 3.21Å; G164-R262 WeakPolarHBondContact O-CB 3.49Å; G164-R262 WeakPolarHBondContact O-CD 3.47Å; G164-R262 PolarHBondContact O-NE 3.35Å; G164-R262 VanDerWaalsContact O-NE 3.15Å
165G94.5Very high95.2Very high1 Ų110.4 Ų10.41%0.017%0.067CC..THydrogen-bonded Turntrans-71.9-8.3172.900000115.8G161 K162 L163 E167 R347 S348G161-G165 PolarHBondContact O-N 3.36Å; K162-G165 PolarHBondContact O-N 3.25Å; L163-G165 VanDerWaalsContact C-N 3.31Å; L163-G165 PolarHBondContact O-N 3.49Å; G165-E167 VanDerWaalsContact C-N 3.29Å; G165-R347 WeakPolarHBondContact CA-O 3.49Å; G165-S348 VanDerWaalsContact O-CA 3.25Å; G165-S348 WeakPolarHBondContact O-CA 3.29Å; G165-S348 VanDerWaalsContact O-CB 3.23Å; G165-S348 WeakPolarHBondContact O-CB 3.49Å; G165-S348 PolarHBondContact O-OG 3.34Å
166G95.9Very high95.2Very high16 Ų1610.2 Ų10.217%0.1657%0.066CC..THydrogen-bonded Turntrans68.431.3-175.300000112.8S120 K162 L163 G164S120-G166 WeakPolarHBondContact OG-CA 3.41Å; S120-G166 PolarHBondContact OG-O 2.97Å; K162-G166 PolarHBondContact O-N 3.35Å; L163-G166 PolarHBondContact O-N 3.25Å; L163-G166 VanDerWaalsContact O-N 3.16Å; G164-G166 VanDerWaalsContact C-N 3.26Å; G164-G166 PolarHBondContact O-N 3.15Å
167E96Very high95.2Very high6 Ų69.7 Ų9.73%0.0286%0.063CC..  trans-138.938.6-173.262.8-165.6153.800112.1L116 S120 K162 G165 K260 L349 Y374 R378L116-E167 HydrophobicContact CD1-CB 4.39Å; S120-E167 PolarHBondContact OG-N 3.3Å; K162-E167 HydrophobicContact CB-CG 4.31Å; K162-E167 WeakPolarHBondContact CB-O 3.4Å; K162-E167 HydrophobicContact CG-CG 4.4Å; K162-E167 CarbonylContact O-C 3.59Å; K162-E167 PolarHBondContact O-N 3.47Å; G165-E167 VanDerWaalsContact C-N 3.29Å; E167-K260 IonicContact OE1-NZ 2.66Å; E167-K260 PolarHBondContact OE1-NZ 3.5Å; E167-L349 WeakPolarHBondContact OE2-CB 3.3Å; E167-Y374 VanDerWaalsContact CD-OH 3.26Å; E167-Y374 PolarHBondContact OE2-OH 3.3Å; E167-R378 PolarHBondContact O-NH1 2.86Å; E167-R378 PolarHBondContact O-NH2 3.25Å
168L96.4Very high95.2Very high1 Ų19.8 Ų9.81%0.0056%0.063CC..  trans-52.8146.2179.8-158.4101.5000112.3L116 L119 S120 A123 K162 L163 I174 Y220 R378L116-L168 WeakPolarHBondContact CD2-O 3.37Å; L119-L168 HydrophobicContact CB-CB 4.16Å; L119-L168 HydrophobicContact CB-CD2 4.33Å; S120-L168 WeakPolarHBondContact OG-CB 3.21Å; S120-L168 PolarHBondContact OG-N 3.28Å; A123-L168 HydrophobicContact CB-CD1 4.37Å; A123-L168 HydrophobicContact CB-CD2 4.25Å; K162-L168 PolarHBondContact O-N 3.32Å; L163-L168 HydrophobicContact CB-CD1 3.71Å; L163-L168 HydrophobicContact CD1-CD1 3.97Å; L163-L168 HydrophobicContact CG-CD1 4.38Å; L168-I174 HydrophobicContact CD1-CG2 4.22Å; L168-Y220 HydrophobicContact CD2-CE1 4.11Å; L168-R378 PolarHBondContact O-NH2 3.2Å
169N94.4Very high95.2Very high4 Ų49.5 Ų9.52%0.0216%0.062CC..  trans-78.1158.5168.7-78.78.5000110.6K162 S171 R378 E381 N382K162-N169 WeakPolarHBondContact CD-OD1 3.46Å; K162-N169 VanDerWaalsContact CE-OD1 3.24Å; K162-N169 WeakPolarHBondContact CE-OD1 3.42Å; N169-S171 PolarHBondContact O-N 3.02Å; N169-R378 PolarHBondContact OD1-NE 3.04Å; N169-R378 PolarHBondContact OD1-NH2 3.47Å; N169-E381 PolarHBondContact ND2-OE1 3.27Å; N169-E381 PolarHBondContact ND2-OE2 2.89Å; N169-E381 PolarHBondContact OD1-OE2 3.5Å; N169-N382 VanDerWaalsContact CA-OD1 3.27Å; N169-N382 WeakPolarHBondContact CA-OD1 3.47Å
170F95.9Very high95.2Very high0 Ų09.9 Ų9.90%06%0.064CC..SBendtrans-55.9-50179-174-83.4000111.9F41 M98 I101 A102 L119 N382 Q385 S386 D389F41-F170 HydrophobicContact CD1-CE1 4.29Å; F41-F170 AromaticContact CD1-CZ 3.98Å; F41-F170 HydrophobicContact CD1-CZ 3.98Å; F41-F170 HydrophobicContact CE1-CE1 4.4Å; F41-F170 AromaticContact CE1-CZ 3.9Å; F41-F170 HydrophobicContact CE1-CZ 3.9Å; M98-F170 HydrophobicContact CG-CE1 3.76Å; M98-F170 HydrophobicContact CG-CE2 3.82Å; M98-F170 HydrophobicContact CG-CZ 3.35Å; M98-F170 HydrophobicContact SD-CD1 4.17Å; M98-F170 HydrophobicContact SD-CD2 3.74Å; M98-F170 HydrophobicContact SD-CE1 3.91Å; M98-F170 HydrophobicContact SD-CE2 3.46Å; M98-F170 WeakPolarHBondContact SD-CE2 3.17Å; M98-F170 HydrophobicContact SD-CG 4.1Å; M98-F170 HydrophobicContact SD-CZ 3.57Å; M98-F170 VanDerWaalsContact SD-CZ 3.57Å; I101-F170 HydrophobicContact CG2-CD2 4.39Å; I101-F170 HydrophobicContact CG2-CE2 4.36Å; A102-F170 HydrophobicContact CB-CE2 3.78Å; A102-F170 HydrophobicContact CB-CZ 3.88Å; L119-F170 HydrophobicContact CD1-CB 4.33Å; L119-F170 HydrophobicContact CD2-CD2 4.14Å; F170-N382 HydrophobicContact CB-CB 4.18Å; F170-N382 PolarHBondContact N-OD1 2.68Å; F170-Q385 HydrophobicContact CB-CB 4.09Å; F170-Q385 HydrophobicContact CD1-CB 4.41Å; F170-S386 VanDerWaalsContact CE1-CA 3.49Å; F170-S386 VanDerWaalsContact CZ-CB 3.49Å; F170-D389 HydrophobicContact CE1-CB 4.31Å
171S93.6Very high95.2Very high4 Ų410.1 Ų10.13%0.0287%0.065CC..SBendtrans-113109.5169.9-158.70000108.5N169 Q385 D389 Q391N169-S171 PolarHBondContact O-N 3.02Å; S171-Q385 PolarHBondContact O-NE2 3.49Å; S171-Q385 PolarHBondContact O-OE1 3.43Å; S171-Q385 VanDerWaalsContact O-OE1 3.06Å; S171-D389 VanDerWaalsContact CB-OD1 3.31Å; S171-D389 WeakPolarHBondContact CB-OD1 3.24Å; S171-D389 PolarHBondContact OG-O 3.03Å; S171-D389 PolarHBondContact OG-OD1 3.08Å; S171-Q391 WeakPolarHBondContact O-CG 3.28Å
172S88.9Confident95.2Very high25 Ų2512.1 Ų12.118%0.1757%0.068CC..  trans-146.7150.6-175.1-141.50000111.8
173D93Very high95.2Very high47 Ų4716.3 Ų16.325%0.2519%0.087SC..  trans-72.7152.1163.3-61-23.6000108.4R221 D223 Q391D173-R221 CarbonylContact C-O 3.59Å; D173-R221 WeakPolarHBondContact CA-O 3.41Å; D173-R221 WeakPolarHBondContact OD1-CB 3.32Å; D173-R221 WeakPolarHBondContact OD1-CD 3.5Å; D173-D223 HydrophobicContact CB-CB 4.49Å; D173-Q391 VanDerWaalsContact N-NE2 3.18Å; D173-Q391 PolarHBondContact OD1-NE2 2.74Å; D173-Q391 PolarHBondContact OD1-OE1 2.92Å
174I96.4Very high95Very high0 Ų017.1 Ų17.10%010%0.097CC..EExtended strand (participates in β ladder)trans-102107.5168.754.9175.9000109.3A123 I127 L163 L168 L176 L210 Y220 R221 V222 D223A123-I174 HydrophobicContact CB-CG2 4.42Å; I127-I174 HydrophobicContact CD1-CD1 3.76Å; I127-I174 HydrophobicContact CG1-CD1 3.82Å; L163-I174 HydrophobicContact CD2-CB 3.99Å; L163-I174 HydrophobicContact CD2-CG2 3.97Å; L168-I174 HydrophobicContact CD1-CG2 4.22Å; I174-L176 HydrophobicContact CB-CD2 4.32Å; I174-L176 HydrophobicContact CB-CG 4.47Å; I174-L176 HydrophobicContact CD1-CD1 4.1Å; I174-L176 HydrophobicContact CG1-CD1 4.35Å; I174-L176 HydrophobicContact CG1-CG 4.41Å; I174-L176 PolarHBondContact O-N 2.75Å; I174-L210 HydrophobicContact CD1-CD1 4.2Å; I174-Y220 HydrophobicContact CD1-CD2 4.32Å; I174-Y220 HydrophobicContact CD1-CG 4.23Å; I174-Y220 HydrophobicContact CG2-CD1 4.14Å; I174-Y220 HydrophobicContact CG2-CG 4Å; I174-R221 WeakPolarHBondContact CG1-O 3.23Å; I174-R221 PolarHBondContact N-O 3.17Å; I174-V222 HydrophobicContact CD1-CG2 3.98Å; I174-V222 HydrophobicContact CG1-CB 4.42Å; I174-V222 HydrophobicContact CG1-CG2 3.94Å; I174-D223 PolarHBondContact O-N 3.36Å
175D96.2Very high95Very high38 Ų3818.9 Ų18.920%0.20311%0.108CC..EExtended strand (participates in β ladder)trans-78.5115.4176.4-62.3-52000109.4M160 D223 L226M160-D175 HydrophobicContact CB-CB 3.7Å; M160-D175 WeakPolarHBondContact CB-O 3.36Å; M160-D175 HydrophobicContact CG-CB 4.49Å; M160-D175 PolarHBondContact N-O 3.15Å; D175-D223 CarbonylContact C-O 3.58Å; D175-D223 WeakPolarHBondContact CA-O 3.43Å; D175-D223 WeakPolarHBondContact OD1-CB 3.14Å; D175-L226 HydrophobicContact CB-CD1 4.05Å
176L97.6Very high95.1Very high0 Ų019 Ų190%011%0.109CC..EExtended strand (participates in β ladder)trans-124.9148.6-173.6-53.1179.6000113I127 I157 L158 L163 I174 F178 V222 D223 M224I127-L176 HydrophobicContact CD1-CD2 4.13Å; I157-L176 HydrophobicContact CG2-CB 4.28Å; I157-L176 HydrophobicContact CG2-CD1 4.23Å; I157-L176 HydrophobicContact CG2-CD2 3.9Å; I157-L176 HydrophobicContact CG2-CG 4.36Å; L158-L176 CarbonylContact O-C 3.58Å; L158-L176 WeakPolarHBondContact O-CA 3.49Å; L163-L176 HydrophobicContact CD2-CD2 3.71Å; I174-L176 HydrophobicContact CB-CD2 4.32Å; I174-L176 HydrophobicContact CB-CG 4.47Å; I174-L176 HydrophobicContact CD1-CD1 4.1Å; I174-L176 HydrophobicContact CG1-CD1 4.35Å; I174-L176 HydrophobicContact CG1-CG 4.41Å; I174-L176 PolarHBondContact O-N 2.75Å; L176-F178 HydrophobicContact CB-CD1 4.41Å; L176-F178 HydrophobicContact CB-CE1 3.85Å; L176-F178 HydrophobicContact CB-CZ 4.46Å; L176-F178 HydrophobicContact CD1-CE1 3.78Å; L176-F178 HydrophobicContact CD1-CZ 4.06Å; L176-F178 HydrophobicContact CG-CE1 4.46Å; L176-V222 HydrophobicContact CD1-CG1 3.9Å; L176-V222 HydrophobicContact CG-CG1 4.33Å; L176-D223 PolarHBondContact N-O 2.91Å; L176-M224 HydrophobicContact CB-CE 4.31Å; L176-M224 HydrophobicContact CB-SD 3.79Å; L176-M224 VanDerWaalsContact O-CE 3.3Å; L176-M224 WeakPolarHBondContact O-CE 3.17Å
177I96.6Very high94.9Very high1 Ų123 Ų231%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-124.4131.1165.5-58.6178.2000108.3I157 L158 M160 R227 M258I157-I177 WeakPolarHBondContact CA-O 3.31Å; L158-I177 HydrophobicContact CB-CB 4.23Å; L158-I177 HydrophobicContact CD1-CB 4.5Å; L158-I177 PolarHBondContact N-O 3.17Å; L158-I177 PolarHBondContact O-N 2.98Å; M160-I177 HydrophobicContact CE-CD1 3.99Å; M160-I177 HydrophobicContact CG-CD1 4.14Å; M160-I177 HydrophobicContact CG-CG1 4.04Å; M160-I177 HydrophobicContact SD-CD1 3.79Å; M160-I177 HydrophobicContact SD-CG1 4.2Å; I177-R227 HydrophobicContact CG1-CB 4.31Å; I177-R227 HydrophobicContact CG2-CB 4.43Å; I177-M258 HydrophobicContact CD1-SD 4.34Å
178F97.9Very high94.5Very high1 Ų126.9 Ų26.90%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-104.7133.3179.4-60.5-23.7000110.9L155 L156 I157 L176 L206 I207 M224 L235 V236 L237L155-F178 HydrophobicContact CD1-CB 4.19Å; L156-F178 WeakPolarHBondContact O-CA 3.41Å; I157-F178 HydrophobicContact CB-CD1 4.28Å; I157-F178 HydrophobicContact CB-CE1 4.41Å; I157-F178 HydrophobicContact CD1-CE1 4.2Å; I157-F178 HydrophobicContact CG1-CD1 3.82Å; I157-F178 HydrophobicContact CG1-CE1 3.91Å; I157-F178 HydrophobicContact CG2-CD1 4Å; I157-F178 HydrophobicContact CG2-CE1 3.82Å; L176-F178 HydrophobicContact CB-CD1 4.41Å; L176-F178 HydrophobicContact CB-CE1 3.85Å; L176-F178 HydrophobicContact CB-CZ 4.46Å; L176-F178 HydrophobicContact CD1-CE1 3.78Å; L176-F178 HydrophobicContact CD1-CZ 4.06Å; L176-F178 HydrophobicContact CG-CE1 4.46Å; F178-L206 HydrophobicContact CE1-CD2 4.13Å; F178-L206 HydrophobicContact CZ-CD2 3.85Å; F178-L206 HydrophobicContact CZ-CG 4.47Å; F178-I207 HydrophobicContact CE2-CD1 4.03Å; F178-I207 HydrophobicContact CE2-CG1 4.05Å; F178-I207 HydrophobicContact CZ-CG1 4.27Å; F178-M224 HydrophobicContact CB-CE 4.49Å; F178-M224 HydrophobicContact CD1-CE 4.03Å; F178-M224 HydrophobicContact CD2-CE 3.54Å; F178-M224 HydrophobicContact CE1-CE 4.11Å; F178-M224 HydrophobicContact CE1-SD 4.38Å; F178-M224 HydrophobicContact CE2-CE 3.64Å; F178-M224 HydrophobicContact CE2-SD 4.01Å; F178-M224 HydrophobicContact CG-CE 3.74Å; F178-M224 HydrophobicContact CZ-CE 3.92Å; F178-M224 HydrophobicContact CZ-SD 3.93Å; F178-L235 HydrophobicContact CD2-CG 4.31Å; F178-V236 HydrophobicContact CB-CB 4.16Å; F178-V236 HydrophobicContact CB-CG1 3.75Å; F178-V236 HydrophobicContact CB-CG2 3.86Å; F178-V236 HydrophobicContact CD2-CG2 4.19Å; F178-V236 WeakPolarHBondContact O-CA 3.48Å; F178-V236 WeakPolarHBondContact O-CG1 3.39Å; F178-L237 PolarHBondContact O-N 3.32Å
179A96.8Very high93.8Very high1 Ų128.1 Ų28.11%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-140.9155.1177.400000112.1L156 L237 F239 L242L156-A179 PolarHBondContact N-O 2.78Å; L156-A179 PolarHBondContact O-N 2.79Å; A179-L237 CarbonylContact C-O 3.19Å; A179-L237 WeakPolarHBondContact CA-O 2.93Å; A179-F239 HydrophobicContact CB-CD1 4.31Å; A179-F239 HydrophobicContact CB-CE1 4.16Å; A179-L242 HydrophobicContact CB-CD1 4.01Å
180W96.2Very high93.3Very high8 Ų839.8 Ų39.83%0.0322%0.222CC..EExtended strand (participates in β ladder)trans-132.2158.8166.881.492.9000110.1E182 H183 A196 F199 V236 L237 S238 F239W180-E182 PolarHBondContact NE1-O 3.12Å; W180-H183 AromaticContact CZ2-CE1 3.94Å; W180-A196 HydrophobicContact CH2-CB 3.55Å; W180-A196 HydrophobicContact CZ2-CB 3.83Å; W180-A196 HydrophobicContact CZ3-CB 4.42Å; W180-F199 HydrophobicContact CB-CD2 3.55Å; W180-F199 HydrophobicContact CB-CE1 4.36Å; W180-F199 HydrophobicContact CB-CE2 3.39Å; W180-F199 HydrophobicContact CB-CG 4.14Å; W180-F199 HydrophobicContact CB-CZ 3.82Å; W180-F199 AromaticContact CD1-CD2 3.88Å; W180-F199 AromaticContact CD1-CE2 3.59Å; W180-F199 AromaticContact CD2-CD2 3.62Å; W180-F199 HydrophobicContact CD2-CD2 3.62Å; W180-F199 HydrophobicContact CD2-CE2 4.12Å; W180-F199 HydrophobicContact CD2-CG 4.44Å; W180-F199 HydrophobicContact CE3-CB 4.3Å; W180-F199 HydrophobicContact CE3-CD2 4.02Å; W180-F199 HydrophobicContact CE3-CG 4.45Å; W180-F199 AromaticContact CG-CD2 3.38Å; W180-F199 HydrophobicContact CG-CD2 3.38Å; W180-F199 AromaticContact CG-CE2 3.39Å; W180-F199 HydrophobicContact CG-CE2 3.39Å; W180-F199 HydrophobicContact CG-CG 4.31Å; W180-F199 HydrophobicContact CG-CZ 4.3Å; W180-V236 HydrophobicContact CE3-CB 4.13Å; W180-V236 HydrophobicContact CE3-CG1 3.49Å; W180-V236 VanDerWaalsContact CE3-CG1 3.49Å; W180-V236 HydrophobicContact CZ3-CB 3.99Å; W180-V236 HydrophobicContact CZ3-CG1 3.87Å; W180-V236 WeakPolarHBondContact CZ3-O 3.23Å; W180-L237 PolarHBondContact N-O 3.05Å; W180-S238 CarbonylContact O-C 3.54Å; W180-S238 VanDerWaalsContact O-CA 3.28Å; W180-S238 WeakPolarHBondContact O-CA 3.14Å; W180-F239 WeakPolarHBondContact O-CD1 3.45Å; W180-F239 PolarHBondContact O-N 3.04Å
181P94.8Very high92.8Very high6 Ų649.8 Ų49.84%0.03926%0.259CS..SBendtrans-73.5-69.4-172.1-12.328000112P154 F239 Y271P154-P181 HydrophobicContact CG-CG 4.39Å; P181-F239 HydrophobicContact CB-CD2 4.03Å; P181-F239 HydrophobicContact CB-CE2 3.9Å; P181-F239 HydrophobicContact CB-CG 4.42Å; P181-F239 HydrophobicContact CB-CZ 4.17Å; P181-F239 HydrophobicContact CG-CE2 4.33Å; P181-F239 HydrophobicContact CG-CZ 4.16Å; P181-F239 PolarHBondContact O-N 3.41Å; P181-Y271 HydrophobicContact CB-CD1 3.41Å; P181-Y271 VanDerWaalsContact CB-CD1 3.41Å; P181-Y271 HydrophobicContact CB-CE1 3.69Å; P181-Y271 HydrophobicContact CB-CG 3.94Å; P181-Y271 HydrophobicContact CG-CD1 3.45Å; P181-Y271 VanDerWaalsContact CG-CD1 3.45Å; P181-Y271 HydrophobicContact CG-CD2 3.82Å; P181-Y271 HydrophobicContact CG-CE1 3.87Å; P181-Y271 HydrophobicContact CG-CE2 4.21Å; P181-Y271 HydrophobicContact CG-CG 3.41Å; P181-Y271 VanDerWaalsContact CG-CG 3.41Å
182E93.6Very high92.5Very high69 Ų6956.4 Ų56.432%0.32229%0.29SS..  trans-118.1150.1-166.2-65.4-179.3-98.300114.5N147 Q153 W180 N195N147-E182 HydrophobicContact CB-CB 3.94Å; N147-E182 PolarHBondContact ND2-OE1 3.1Å; Q153-E182 VanDerWaalsContact OE1-N 3.1Å; W180-E182 PolarHBondContact NE1-O 3.12Å; E182-N195 PolarHBondContact O-ND2 3.34Å
183H93.1Very high92.7Very high110 Ų11056.4 Ų56.451%0.50929%0.288SS..  trans-67.2154.5169.3-66.6-76.2000111.4W180 S238W180-H183 AromaticContact CZ2-CE1 3.94Å; H183-S238 PolarHBondContact CE1-OG 3.22Å; H183-S238 PolarHBondContact NE2-OG 2.67Å
184G93.1Very high92.8Very high21 Ų2157.7 Ų57.722%0.21630%0.295CS..  trans158.5-157.3-17700000111.1C146 N195C146-G184 CarbonylContact O-C 3.07Å; C146-G184 WeakPolarHBondContact O-CA 3.26Å; G184-N195 WeakPolarHBondContact CA-ND2 3.45Å; G184-N195 PolarHBondContact N-ND2 3.3Å; G184-N195 VanDerWaalsContact O-CG 3.31Å; G184-N195 PolarHBondContact O-N 2.91Å; G184-N195 PolarHBondContact O-OD1 3.38Å
185C94.2Very high92.7Very high37 Ų3757.7 Ų57.725%0.2530%0.295CS..EExtended strand (participates in β ladder)trans-145.7157.7-17152.60000113.1C146 E192 L193 N195C146-C185 PolarHBondContact N-O 2.79Å; C146-C185 VanDerWaalsContact N-O 3.08Å; C146-C185 PolarHBondContact O-N 3.08Å; C146-C185 VanDerWaalsContact O-N 3.17Å; C185-E192 HydrophobicContact CB-CG 3.51Å; C185-E192 VanDerWaalsContact CB-OE1 3.24Å; C185-E192 WeakPolarHBondContact CB-OE1 3.47Å; C185-E192 PolarHBondContact SG-OE1 3.05Å; C185-L193 CarbonylContact C-O 3.41Å; C185-L193 VanDerWaalsContact CA-O 3.25Å; C185-L193 WeakPolarHBondContact CA-O 3.32Å; C185-N195 WeakPolarHBondContact CA-OD1 3.44Å; C185-N195 PolarHBondContact N-OD1 2.86Å
186T96.1Very high92.6Very high5 Ų557.2 Ų57.23%0.03130%0.296CS..EExtended strand (participates in β ladder)trans-74.9137.9-179.764.30000112.7W142 T144 P145 L193 F198W142-T186 WeakPolarHBondContact O-CB 3.36Å; W142-T186 PolarHBondContact O-OG1 3.26Å; T144-T186 CarbonylContact O-C 3.49Å; T144-T186 VanDerWaalsContact O-CA 3.23Å; T144-T186 WeakPolarHBondContact O-CA 3.47Å; P145-T186 HydrophobicContact CB-CG2 4.3Å; T186-L193 HydrophobicContact CG2-CB 4.02Å; T186-L193 PolarHBondContact N-O 2.82Å; T186-L193 PolarHBondContact OG1-N 2.77Å; T186-F198 HydrophobicContact CG2-CB 4.03Å; T186-F198 HydrophobicContact CG2-CD2 3.58Å; T186-F198 HydrophobicContact CG2-CE2 4.33Å; T186-F198 HydrophobicContact CG2-CG 4Å
187Q93.1Very high92.5Very high98 Ų9862 Ų6246%0.45832%0.319SS..EExtended strand (participates in β ladder)trans-113.4145.2176.6-59.3-172.37.700111.4G143 T144 C146 G189G143-Q187 CarbonylContact C-O 3.55Å; G143-Q187 WeakPolarHBondContact CA-O 3.5Å; T144-Q187 PolarHBondContact N-O 3.15Å; T144-Q187 PolarHBondContact O-N 2.96Å; C146-Q187 HydrophobicContact CB-CG 4.25Å; Q187-G189 VanDerWaalsContact C-N 3.31Å; Q187-G189 PolarHBondContact O-N 3.1Å
188G87.1Confident92.5Very high88 Ų8862 Ų6291%0.90732%0.318SS*.SBendtrans81.1-1.717700000116.2
189G82.2Confident92.5Very high27 Ų2761.9 Ų61.928%0.27832%0.318SS..SBendtrans-82.3172.9172.900000113.7Q187 R191Q187-G189 VanDerWaalsContact C-N 3.31Å; Q187-G189 PolarHBondContact O-N 3.1Å; G189-R191 PolarHBondContact O-N 3.46Å
190R82.7Confident92.5Very high250 Ų25063.8 Ų63.894%0.94333%0.33SS*.SBendtrans-63.7-28174.5-71.3-176.8178.11761113.2
191R85.1Confident92.6Very high209 Ų20968.4 Ų68.479%0.78935%0.347SS*.SBendtrans-145.7148.6176.3-67.7-175179.6177.3-0.4108.1G189G189-R191 PolarHBondContact O-N 3.46Å
192E88.4Confident92.7Very high144 Ų14468.1 Ų68.167%0.67335%0.345SS*.  trans-71.1125.9171.9-168.7175.2143.700109.5C185C185-E192 HydrophobicContact CB-CG 3.51Å; C185-E192 VanDerWaalsContact CB-OE1 3.24Å; C185-E192 WeakPolarHBondContact CB-OE1 3.47Å; C185-E192 PolarHBondContact SG-OE1 3.05Å
193L92.2Very high92.9Very high25 Ų2564.8 Ų64.813%0.13133%0.33CS..  trans-111.4141.3172.5-63.7-176.8000109.3W142 C185 T186W142-L193 HydrophobicContact CB-CD1 3.71Å; W142-L193 HydrophobicContact CD2-CD1 4.36Å; W142-L193 HydrophobicContact CG-CD1 3.91Å; C185-L193 CarbonylContact C-O 3.41Å; C185-L193 VanDerWaalsContact CA-O 3.25Å; C185-L193 WeakPolarHBondContact CA-O 3.32Å; T186-L193 HydrophobicContact CG2-CB 4.02Å; T186-L193 PolarHBondContact N-O 2.82Å; T186-L193 PolarHBondContact OG1-N 2.77Å
194D94.5Very high93.1Very high73 Ų7364.9 Ų64.939%0.3933%0.331SS..BIsolated β-bridgetrans-62.1139.1168.8175.686.5000110.6A196 Q197 F198D194-A196 PolarHBondContact O-N 3.25Å; D194-A196 WeakPolarHBondContact OD2-CA 3.37Å; D194-A196 WeakPolarHBondContact OD2-CB 3.47Å; D194-A196 PolarHBondContact OD2-N 2.84Å; D194-Q197 HydrophobicContact CB-CG 4.21Å; D194-Q197 WeakPolarHBondContact O-CA 3.33Å; D194-Q197 WeakPolarHBondContact O-CB 3.15Å; D194-Q197 PolarHBondContact O-N 3.41Å; D194-F198 PolarHBondContact O-N 3.22Å
195N95.6Very high93.3Very high0 Ų066.1 Ų66.10%033%0.328CS..Hα-helixtrans-55.7-38.2-177.3-77.3-5.1000112.2P145 C146 E182 G184 C185 Q197 F198 F199P145-N195 WeakPolarHBondContact CB-OD1 3.35Å; C146-N195 PolarHBondContact O-ND2 3.45Å; E182-N195 PolarHBondContact O-ND2 3.34Å; G184-N195 WeakPolarHBondContact CA-ND2 3.45Å; G184-N195 PolarHBondContact N-ND2 3.3Å; G184-N195 VanDerWaalsContact O-CG 3.31Å; G184-N195 PolarHBondContact O-N 2.91Å; G184-N195 PolarHBondContact O-OD1 3.38Å; C185-N195 WeakPolarHBondContact CA-OD1 3.44Å; C185-N195 PolarHBondContact N-OD1 2.86Å; N195-Q197 VanDerWaalsContact C-N 3.31Å; N195-Q197 PolarHBondContact O-N 2.92Å; N195-F198 PolarHBondContact O-N 2.88Å; N195-F199 HydrophobicContact CB-CD2 4.28Å; N195-F199 HydrophobicContact CB-CE2 4.15Å; N195-F199 WeakPolarHBondContact O-CD2 3.37Å; N195-F199 PolarHBondContact O-N 3.37Å
196A94.2Very high93.5Very high29 Ų2964.3 Ų64.324%0.2432%0.317CS..Hα-helixtrans-65-37.1178.300000111.4W180 D194 T200W180-A196 HydrophobicContact CH2-CB 3.55Å; W180-A196 HydrophobicContact CZ2-CB 3.83Å; W180-A196 HydrophobicContact CZ3-CB 4.42Å; D194-A196 PolarHBondContact O-N 3.25Å; D194-A196 WeakPolarHBondContact OD2-CA 3.37Å; D194-A196 WeakPolarHBondContact OD2-CB 3.47Å; D194-A196 PolarHBondContact OD2-N 2.84Å; A196-T200 VanDerWaalsContact O-CB 3.22Å; A196-T200 WeakPolarHBondContact O-CB 3.11Å; A196-T200 PolarHBondContact O-N 3.04Å; A196-T200 PolarHBondContact O-OG1 3.47Å
197Q95.1Very high93.6Very high100 Ų10065.9 Ų65.947%0.46732%0.324SS..Hα-helixtrans-68.3-41.7174.2-63.9-1767.300112D194 N195 R201D194-Q197 HydrophobicContact CB-CG 4.21Å; D194-Q197 WeakPolarHBondContact O-CA 3.33Å; D194-Q197 WeakPolarHBondContact O-CB 3.15Å; D194-Q197 PolarHBondContact O-N 3.41Å; N195-Q197 VanDerWaalsContact C-N 3.31Å; N195-Q197 PolarHBondContact O-N 2.92Å; Q197-R201 WeakPolarHBondContact O-CG 3.37Å; Q197-R201 PolarHBondContact O-N 2.98Å; Q197-R201 VanDerWaalsContact O-N 3.15Å
198F97.1Very high93.8Very high0 Ų065.4 Ų65.40%032%0.321CS..Hα-helixtrans-58.6-55.4176.1177.6-85.9000110.8Y135 C138 W142 G143 P145 T186 D194 N195 T200 R201 M202Y135-F198 HydrophobicContact CD2-CE1 4.45Å; Y135-F198 HydrophobicContact CE2-CE1 4.33Å; C138-F198 HydrophobicContact CB-CE2 3.84Å; C138-F198 HydrophobicContact CB-CZ 3.67Å; W142-F198 HydrophobicContact CB-CD2 4.26Å; W142-F198 HydrophobicContact CB-CE2 4.34Å; W142-F198 HydrophobicContact CE3-CD2 4.02Å; W142-F198 HydrophobicContact CE3-CE2 4.11Å; G143-F198 WeakPolarHBondContact O-CE2 3.08Å; P145-F198 HydrophobicContact CB-CD1 3.99Å; P145-F198 HydrophobicContact CB-CE1 4.29Å; P145-F198 HydrophobicContact CB-CG 4.28Å; P145-F198 HydrophobicContact CG-CD1 3.78Å; P145-F198 HydrophobicContact CG-CE1 3.57Å; P145-F198 HydrophobicContact CG-CG 4.4Å; P145-F198 HydrophobicContact CG-CZ 3.99Å; T186-F198 HydrophobicContact CG2-CB 4.03Å; T186-F198 HydrophobicContact CG2-CD2 3.58Å; T186-F198 HydrophobicContact CG2-CE2 4.33Å; T186-F198 HydrophobicContact CG2-CG 4Å; D194-F198 PolarHBondContact O-N 3.22Å; N195-F198 PolarHBondContact O-N 2.88Å; F198-T200 PolarHBondContact O-N 2.7Å; F198-R201 PolarHBondContact O-N 2.88Å; F198-M202 HydrophobicContact CE1-SD 4.04Å; F198-M202 WeakPolarHBondContact O-CB 3.47Å; F198-M202 PolarHBondContact O-N 3.23Å
199F97.8Very high94.3Very high0 Ų061.2 Ų61.20%028%0.277CS..Hα-helixtrans-68.4-33.2-176.8-70.1-60.8000112.9P145 Q153 L155 W180 N195 R201 M202 G203 V236P145-F199 HydrophobicContact CB-CE2 4.19Å; P145-F199 HydrophobicContact CB-CZ 4.02Å; P145-F199 HydrophobicContact CG-CE1 4.26Å; P145-F199 HydrophobicContact CG-CE2 4.46Å; P145-F199 HydrophobicContact CG-CZ 3.81Å; Q153-F199 HydrophobicContact CB-CE2 4.18Å; Q153-F199 HydrophobicContact CB-CZ 3.91Å; Q153-F199 VanDerWaalsContact O-CZ 3.31Å; Q153-F199 WeakPolarHBondContact O-CZ 3.13Å; L155-F199 HydrophobicContact CB-CD1 4Å; L155-F199 HydrophobicContact CB-CE1 4Å; L155-F199 HydrophobicContact CD1-CD1 3.96Å; W180-F199 HydrophobicContact CB-CD2 3.55Å; W180-F199 HydrophobicContact CB-CE1 4.36Å; W180-F199 HydrophobicContact CB-CE2 3.39Å; W180-F199 HydrophobicContact CB-CG 4.14Å; W180-F199 HydrophobicContact CB-CZ 3.82Å; W180-F199 AromaticContact CD1-CD2 3.88Å; W180-F199 AromaticContact CD1-CE2 3.59Å; W180-F199 AromaticContact CD2-CD2 3.62Å; W180-F199 HydrophobicContact CD2-CD2 3.62Å; W180-F199 HydrophobicContact CD2-CE2 4.12Å; W180-F199 HydrophobicContact CD2-CG 4.44Å; W180-F199 HydrophobicContact CE3-CB 4.3Å; W180-F199 HydrophobicContact CE3-CD2 4.02Å; W180-F199 HydrophobicContact CE3-CG 4.45Å; W180-F199 AromaticContact CG-CD2 3.38Å; W180-F199 HydrophobicContact CG-CD2 3.38Å; W180-F199 AromaticContact CG-CE2 3.39Å; W180-F199 HydrophobicContact CG-CE2 3.39Å; W180-F199 HydrophobicContact CG-CG 4.31Å; W180-F199 HydrophobicContact CG-CZ 4.3Å; N195-F199 HydrophobicContact CB-CD2 4.28Å; N195-F199 HydrophobicContact CB-CE2 4.15Å; N195-F199 WeakPolarHBondContact O-CD2 3.37Å; N195-F199 PolarHBondContact O-N 3.37Å; F199-R201 PolarHBondContact O-N 3.41Å; F199-M202 HydrophobicContact CD1-SD 4.4Å; F199-M202 PolarHBondContact O-N 3.39Å; F199-G203 PolarHBondContact O-N 2.71Å; F199-V236 HydrophobicContact CB-CB 4.41Å; F199-V236 HydrophobicContact CB-CG1 4.12Å; F199-V236 HydrophobicContact CB-CG2 4.38Å
200T96.9Very high95.1Very high41 Ų4160 Ų6025%0.25226%0.264SS..Hα-helixtrans-61-45.7173.2-62.90000111.3A196 F198 G203 Q204A196-T200 VanDerWaalsContact O-CB 3.22Å; A196-T200 WeakPolarHBondContact O-CB 3.11Å; A196-T200 PolarHBondContact O-N 3.04Å; A196-T200 PolarHBondContact O-OG1 3.47Å; F198-T200 PolarHBondContact O-N 2.7Å; T200-G203 PolarHBondContact O-N 2.94Å; T200-Q204 VanDerWaalsContact O-CG 3.3Å; T200-Q204 WeakPolarHBondContact O-CG 3.46Å; T200-Q204 PolarHBondContact O-N 3.19Å
201R97.1Very high95.7Very high104 Ų10450.2 Ų50.239%0.39223%0.231SC..Hα-helixtrans-68.5-41.8178.6-69.9178.4-174.5-177.66112.2W142 Q197 F198 F199 Q204 R205W142-R201 HydrophobicContact CH2-CB 3.7Å; W142-R201 HydrophobicContact CZ3-CB 3.64Å; Q197-R201 WeakPolarHBondContact O-CG 3.37Å; Q197-R201 PolarHBondContact O-N 2.98Å; Q197-R201 VanDerWaalsContact O-N 3.15Å; F198-R201 PolarHBondContact O-N 2.88Å; F199-R201 PolarHBondContact O-N 3.41Å; R201-Q204 PolarHBondContact O-N 2.96Å; R201-R205 PolarHBondContact O-N 3.47Å; R201-R205 VanDerWaalsContact O-N 3.1Å
202M97.6Very high96.3Very high0 Ų044.1 Ų44.10%021%0.212CC..Hα-helixtrans-61.1-45.3174.8-177.4-173.1166.600111R131 Y135 L155 F198 F199 Q204 R205 L206R131-M202 HydrophobicContact CG-CE 3.97Å; R131-M202 WeakPolarHBondContact O-CE 3.38Å; Y135-M202 HydrophobicContact CD2-CE 3.98Å; Y135-M202 HydrophobicContact CD2-SD 3.88Å; Y135-M202 HydrophobicContact CG-CE 4.3Å; L155-M202 HydrophobicContact CB-CE 3.97Å; L155-M202 HydrophobicContact CB-SD 4.1Å; L155-M202 HydrophobicContact CD2-CE 3.67Å; L155-M202 HydrophobicContact CD2-CG 4.36Å; L155-M202 HydrophobicContact CD2-SD 3.97Å; L155-M202 HydrophobicContact CG-CE 4.47Å; F198-M202 HydrophobicContact CE1-SD 4.04Å; F198-M202 WeakPolarHBondContact O-CB 3.47Å; F198-M202 PolarHBondContact O-N 3.23Å; F199-M202 HydrophobicContact CD1-SD 4.4Å; F199-M202 PolarHBondContact O-N 3.39Å; M202-Q204 VanDerWaalsContact C-N 3.34Å; M202-Q204 PolarHBondContact O-N 3.45Å; M202-R205 PolarHBondContact O-N 3.14Å; M202-R205 VanDerWaalsContact O-N 3.17Å; M202-L206 PolarHBondContact O-N 3.25Å
203G97.3Very high96.6Very high0 Ų041.8 Ų41.80%021%0.209CC..Hα-helixtrans-60.6-40177.200000112.9F199 T200 L206 I207F199-G203 PolarHBondContact O-N 2.71Å; T200-G203 PolarHBondContact O-N 2.94Å; G203-L206 PolarHBondContact O-N 2.55Å; G203-I207 WeakPolarHBondContact O-CG1 3.39Å; G203-I207 PolarHBondContact O-N 3.39Å
204Q97.6Very high96.7Very high112 Ų11242.6 Ų42.652%0.52322%0.215SC..Hα-helixtrans-62.5-42.6173.4-72.9169.7-13.200112.4T200 R201 M202 K208 L235T200-Q204 VanDerWaalsContact O-CG 3.3Å; T200-Q204 WeakPolarHBondContact O-CG 3.46Å; T200-Q204 PolarHBondContact O-N 3.19Å; R201-Q204 PolarHBondContact O-N 2.96Å; M202-Q204 VanDerWaalsContact C-N 3.34Å; M202-Q204 PolarHBondContact O-N 3.45Å; Q204-K208 WeakPolarHBondContact O-CB 3.39Å; Q204-K208 PolarHBondContact O-N 3.43Å; Q204-K208 VanDerWaalsContact O-N 3.08Å; Q204-L235 HydrophobicContact CG-CD2 3.82Å
205R97.6Very high96.6Very high46 Ų4647.5 Ų47.517%0.17424%0.235CC..Hα-helixtrans-65-40174.9-71.5178.374171.14.9111.6E83 L134 E141 R201 M202 K208 V209E83-R205 IonicContact OE2-CZ 2.76Å; E83-R205 VanDerWaalsContact OE2-CZ 3.27Å; E83-R205 IonicContact OE2-NE 3.85Å; E83-R205 PolarHBondContact OE2-NE 2.77Å; E83-R205 IonicContact OE2-NH2 2.68Å; E83-R205 PolarHBondContact OE2-NH2 3.49Å; L134-R205 HydrophobicContact CD1-CB 4.26Å; L134-R205 HydrophobicContact CD2-CB 4.18Å; E141-R205 IonicContact OE2-NH1 3.94Å; E141-R205 PolarHBondContact OE2-NH1 3.48Å; R201-R205 PolarHBondContact O-N 3.47Å; R201-R205 VanDerWaalsContact O-N 3.1Å; M202-R205 PolarHBondContact O-N 3.14Å; M202-R205 VanDerWaalsContact O-N 3.17Å; R205-K208 WeakPolarHBondContact O-CB 2.92Å; R205-K208 PolarHBondContact O-N 3.2Å; R205-V209 WeakPolarHBondContact O-CG2 3.29Å; R205-V209 PolarHBondContact O-N 2.88Å
206L98.3Very high96.5Very high0 Ų049.5 Ų49.50%025%0.246CC..Hα-helixtrans-61.8-48.1178.3-179.561000111.7A130 L134 L155 I157 F178 M202 G203 K208 V209 L210A130-L206 HydrophobicContact CB-CD1 3.65Å; L134-L206 VanDerWaalsContact CD1-CA 3.4Å; L134-L206 HydrophobicContact CD1-CB 3.88Å; L134-L206 HydrophobicContact CD1-CD1 3.95Å; L155-L206 HydrophobicContact CD2-CD2 4.19Å; I157-L206 HydrophobicContact CD1-CD2 3.56Å; F178-L206 HydrophobicContact CE1-CD2 4.13Å; F178-L206 HydrophobicContact CZ-CD2 3.85Å; F178-L206 HydrophobicContact CZ-CG 4.47Å; M202-L206 PolarHBondContact O-N 3.25Å; G203-L206 PolarHBondContact O-N 2.55Å; L206-K208 VanDerWaalsContact C-N 3.32Å; L206-K208 PolarHBondContact O-N 3.06Å; L206-V209 PolarHBondContact O-N 2.84Å; L206-L210 HydrophobicContact CD1-CD1 3.9Å; L206-L210 HydrophobicContact CD1-CG 4.28Å; L206-L210 HydrophobicContact CG-CD1 4.1Å; L206-L210 WeakPolarHBondContact O-CG 3.45Å; L206-L210 PolarHBondContact O-N 3.46Å; L206-L210 VanDerWaalsContact O-N 3.12Å
207I97.9Very high96.4Very high38 Ų3849.1 Ų49.120%0.19525%0.245CC..Hα-helixtrans-58-47.3175.2-68.6166.5000110.4F178 G203 V209 L210 D211 V222 M224 L235F178-I207 HydrophobicContact CE2-CD1 4.03Å; F178-I207 HydrophobicContact CE2-CG1 4.05Å; F178-I207 HydrophobicContact CZ-CG1 4.27Å; G203-I207 WeakPolarHBondContact O-CG1 3.39Å; G203-I207 PolarHBondContact O-N 3.39Å; I207-V209 PolarHBondContact O-N 3.46Å; I207-L210 PolarHBondContact O-N 2.63Å; I207-D211 HydrophobicContact CG2-CB 4.48Å; I207-D211 VanDerWaalsContact O-CB 3.23Å; I207-D211 WeakPolarHBondContact O-CB 3.44Å; I207-D211 PolarHBondContact O-N 2.91Å; I207-V222 HydrophobicContact CG1-CG1 4.1Å; I207-V222 HydrophobicContact CG2-CB 4.34Å; I207-M224 HydrophobicContact CD1-CG 3.76Å; I207-M224 HydrophobicContact CD1-SD 4.14Å; I207-L235 HydrophobicContact CD1-CD1 3.82Å; I207-L235 HydrophobicContact CD1-CD2 4.07Å; I207-L235 HydrophobicContact CD1-CG 4.5Å
208K97.5Very high96.4Very high87 Ų8746.9 Ų46.938%0.37823%0.234SC..Hα-helixtrans-57.7-47178.1-177.2-164.2166.1-153.40112.1E83 Q204 R205 L206 L210 Q212E83-K208 IonicContact OE1-NZ 2.61Å; E83-K208 PolarHBondContact OE1-NZ 3.33Å; Q204-K208 WeakPolarHBondContact O-CB 3.39Å; Q204-K208 PolarHBondContact O-N 3.43Å; Q204-K208 VanDerWaalsContact O-N 3.08Å; R205-K208 WeakPolarHBondContact O-CB 2.92Å; R205-K208 PolarHBondContact O-N 3.2Å; L206-K208 VanDerWaalsContact C-N 3.32Å; L206-K208 PolarHBondContact O-N 3.06Å; K208-L210 VanDerWaalsContact C-N 3.3Å; K208-L210 PolarHBondContact O-N 2.88Å; K208-Q212 HydrophobicContact CG-CB 4.24Å; K208-Q212 WeakPolarHBondContact O-CB 3.36Å; K208-Q212 PolarHBondContact O-N 2.96Å; K208-Q212 VanDerWaalsContact O-N 3.08Å
209V98Very high96.4Very high0 Ų046.9 Ų46.90%023%0.234CC..Hα-helixtrans-61.7-39.8-178.6165.10000111.5E83 L86 M87 L90 R91 A130 L134 R205 L206 I207E83-V209 HydrophobicContact CG-CG2 3.95Å; L86-V209 HydrophobicContact CD2-CG1 3.93Å; L86-V209 HydrophobicContact CD2-CG2 4.42Å; L86-V209 HydrophobicContact CG-CG1 4.22Å; M87-V209 HydrophobicContact CG-CB 4.34Å; M87-V209 HydrophobicContact CG-CG1 4.25Å; M87-V209 HydrophobicContact CG-CG2 4Å; L90-V209 HydrophobicContact CD1-CG1 3.46Å; L90-V209 VanDerWaalsContact CD1-CG1 3.46Å; R91-V209 PolarHBondContact NH1-O 3.28Å; R91-V209 PolarHBondContact NH2-O 3.36Å; A130-V209 HydrophobicContact CB-CG1 4.22Å; L134-V209 HydrophobicContact CD1-CB 4.33Å; L134-V209 HydrophobicContact CD1-CG2 4.06Å; L134-V209 HydrophobicContact CD2-CG2 4.3Å; R205-V209 WeakPolarHBondContact O-CG2 3.29Å; R205-V209 PolarHBondContact O-N 2.88Å; L206-V209 PolarHBondContact O-N 2.84Å; I207-V209 PolarHBondContact O-N 3.46Å
210L97.9Very high96.4Very high1 Ų147 Ų471%0.00523%0.234CC..Hα-helixtrans-80-43.9-178-64.8173.8000113.3I127 A130 I174 L206 I207 K208 V219 Y220 V222I127-L210 HydrophobicContact CG1-CD1 4.24Å; A130-L210 HydrophobicContact CB-CD2 3.92Å; A130-L210 HydrophobicContact CB-CG 4.42Å; I174-L210 HydrophobicContact CD1-CD1 4.2Å; L206-L210 HydrophobicContact CD1-CD1 3.9Å; L206-L210 HydrophobicContact CD1-CG 4.28Å; L206-L210 HydrophobicContact CG-CD1 4.1Å; L206-L210 WeakPolarHBondContact O-CG 3.45Å; L206-L210 PolarHBondContact O-N 3.46Å; L206-L210 VanDerWaalsContact O-N 3.12Å; I207-L210 PolarHBondContact O-N 2.63Å; K208-L210 VanDerWaalsContact C-N 3.3Å; K208-L210 PolarHBondContact O-N 2.88Å; L210-V219 HydrophobicContact CD2-CB 4.31Å; L210-V219 HydrophobicContact CD2-CG1 4.25Å; L210-V219 WeakPolarHBondContact O-CA 3.33Å; L210-V219 WeakPolarHBondContact O-CB 3.49Å; L210-V219 PolarHBondContact O-N 2.88Å; L210-Y220 CarbonylContact C-O 3.52Å; L210-Y220 PolarHBondContact O-N 3.45Å; L210-Y220 VanDerWaalsContact O-N 3.12Å; L210-V222 HydrophobicContact CB-CG2 3.88Å; L210-V222 HydrophobicContact CD1-CG2 4.36Å
211D97Very high96.3Very high45 Ų4549.7 Ų49.724%0.24124%0.24CC..Hα-helixtrans-95.1-40.3-167.2-163.4-38.7000113.4I207 P213 F218 Y220 R221 V222I207-D211 HydrophobicContact CG2-CB 4.48Å; I207-D211 VanDerWaalsContact O-CB 3.23Å; I207-D211 WeakPolarHBondContact O-CB 3.44Å; I207-D211 PolarHBondContact O-N 2.91Å; D211-P213 VanDerWaalsContact O-CD 3.31Å; D211-P213 WeakPolarHBondContact O-CD 3.14Å; D211-F218 WeakPolarHBondContact O-CB 3.46Å; D211-Y220 VanDerWaalsContact CA-O 3.24Å; D211-Y220 WeakPolarHBondContact CA-O 3.47Å; D211-R221 WeakPolarHBondContact OD2-CA 3.45Å; D211-V222 HydrophobicContact CB-CB 4.5Å; D211-V222 HydrophobicContact CB-CG2 4.11Å; D211-V222 PolarHBondContact OD2-N 3.49Å
212Q96.4Very high96.3Very high82 Ų8245.7 Ų45.738%0.38323%0.227SC..  trans-57.6122.8-164.9-174.2-174.4-29.700112.6M87 R91 K208 T214M87-Q212 HydrophobicContact CE-CB 4.05Å; R91-Q212 PolarHBondContact NH2-O 3.42Å; K208-Q212 HydrophobicContact CG-CB 4.24Å; K208-Q212 WeakPolarHBondContact O-CB 3.36Å; K208-Q212 PolarHBondContact O-N 2.96Å; K208-Q212 VanDerWaalsContact O-N 3.08Å; Q212-T214 PolarHBondContact O-N 3.19Å
213P95.2Very high96.2Very high95 Ų9546.6 Ų46.662%0.61723%0.231SC*.  trans-63132172.2-24.335.3000111.8D211D211-P213 VanDerWaalsContact O-CD 3.31Å; D211-P213 WeakPolarHBondContact O-CD 3.14Å
214T95.1Very high96Very high42 Ų4247.3 Ų47.326%0.25824%0.235SC..BIsolated β-bridgetrans-130.2-178.4175.566.30000109.9M87 R91 Q212 D216 G217M87-T214 HydrophobicContact CE-CG2 3.7Å; R91-T214 WeakPolarHBondContact CD-OG1 3.48Å; R91-T214 PolarHBondContact NE-OG1 2.97Å; R91-T214 VanDerWaalsContact NE-OG1 3.12Å; Q212-T214 PolarHBondContact O-N 3.19Å; T214-D216 PolarHBondContact O-N 3.09Å; T214-D216 VanDerWaalsContact O-N 3.15Å; T214-D216 PolarHBondContact OG1-N 3.26Å; T214-G217 PolarHBondContact N-O 2.92Å; T214-G217 PolarHBondContact O-N 3.02Å; T214-G217 PolarHBondContact OG1-O 3.47Å; T214-G217 VanDerWaalsContact OG1-O 3.1Å
215Q92.5Very high95.6Very high175 Ų17548.5 Ų48.582%0.81824%0.235SC*.THydrogen-bonded Turntrans-58.7-24.8171.866.9-96.6-7.700113.2G217Q215-G217 VanDerWaalsContact C-N 3.31Å
216D92.8Very high95.2Very high43 Ų4348.8 Ų48.823%0.2324%0.239CC..THydrogen-bonded Turntrans-89.54.2178.4-53.7-68.8000112R91 R95 T214R91-D216 HydrophobicContact CB-CB 3.97Å; R91-D216 WeakPolarHBondContact CB-O 3.44Å; R95-D216 PolarHBondContact NH2-O 3.41Å; T214-D216 PolarHBondContact O-N 3.09Å; T214-D216 VanDerWaalsContact O-N 3.15Å; T214-D216 PolarHBondContact OG1-N 3.26Å
217G92.3Very high94.8Very high20 Ų2050 Ų5021%0.20624%0.244CC..BIsolated β-bridgetrans89.5-143.6-175.300000112.9R91 T214 Q215R91-G217 WeakPolarHBondContact CD-O 3.46Å; R91-G217 PolarHBondContact NE-O 3.02Å; T214-G217 PolarHBondContact N-O 2.92Å; T214-G217 PolarHBondContact O-N 3.02Å; T214-G217 PolarHBondContact OG1-O 3.47Å; T214-G217 VanDerWaalsContact OG1-O 3.1Å; Q215-G217 VanDerWaalsContact C-N 3.31Å
218F95Very high94.2Very high54 Ų5448.2 Ų48.224%0.23724%0.235CC..  trans-136.7164.9176.962.5-86.8000110.1D211 R221D211-F218 WeakPolarHBondContact O-CB 3.46Å; F218-R221 HydrophobicContact CE2-CG 4.2Å
219V97.1Very high93.6Very high0 Ų048.8 Ų48.80%024%0.238CC..SBendtrans-87.9-65.6178.4-165.90000109.1L90 R91 R94 L126 L210L90-V219 HydrophobicContact CB-CG2 3.74Å; R91-V219 HydrophobicContact CG-CG2 3.91Å; R94-V219 HydrophobicContact CB-CG1 4.14Å; R94-V219 HydrophobicContact CG-CG1 4.14Å; R94-V219 PolarHBondContact NE-O 3.42Å; L126-V219 HydrophobicContact CB-CG1 4.08Å; L126-V219 HydrophobicContact CD1-CG1 3.75Å; L126-V219 HydrophobicContact CD2-CG1 4.24Å; L126-V219 HydrophobicContact CG-CG1 4.25Å; L210-V219 HydrophobicContact CD2-CB 4.31Å; L210-V219 HydrophobicContact CD2-CG1 4.25Å; L210-V219 WeakPolarHBondContact O-CA 3.33Å; L210-V219 WeakPolarHBondContact O-CB 3.49Å; L210-V219 PolarHBondContact O-N 2.88Å
220Y97Very high92.9Very high2 Ų249.8 Ų49.81%0.00825%0.247CC..  trans-148145.2172.9-66.8-81.2000109.6R94 A123 L126 L168 I174 L210 D211R94-Y220 HydrophobicContact CG-CE2 4.21Å; A123-Y220 HydrophobicContact CB-CE1 4.31Å; A123-Y220 HydrophobicContact CB-CE2 3.86Å; L126-Y220 HydrophobicContact CD1-CE2 3.71Å; L168-Y220 HydrophobicContact CD2-CE1 4.11Å; I174-Y220 HydrophobicContact CD1-CD2 4.32Å; I174-Y220 HydrophobicContact CD1-CG 4.23Å; I174-Y220 HydrophobicContact CG2-CD1 4.14Å; I174-Y220 HydrophobicContact CG2-CG 4Å; L210-Y220 CarbonylContact C-O 3.52Å; L210-Y220 PolarHBondContact O-N 3.45Å; L210-Y220 VanDerWaalsContact O-N 3.12Å; D211-Y220 VanDerWaalsContact CA-O 3.24Å; D211-Y220 WeakPolarHBondContact CA-O 3.47Å
221R95.6Very high92.2Very high97 Ų9756.3 Ų56.337%0.36628%0.278SS..  trans-67.4131.6165.7-67173.5-167.7155.44.7108.5D173 I174 D211 F218D173-R221 CarbonylContact C-O 3.59Å; D173-R221 WeakPolarHBondContact CA-O 3.41Å; D173-R221 WeakPolarHBondContact OD1-CB 3.32Å; D173-R221 WeakPolarHBondContact OD1-CD 3.5Å; I174-R221 WeakPolarHBondContact CG1-O 3.23Å; I174-R221 PolarHBondContact N-O 3.17Å; D211-R221 WeakPolarHBondContact OD2-CA 3.45Å; F218-R221 HydrophobicContact CE2-CG 4.2Å
222V96.6Very high91.3Very high20 Ų2060.1 Ų60.112%0.12131%0.308CS..EExtended strand (participates in β ladder)trans-107.3124.9-174.7-176.90000109.9I174 L176 I207 L210 D211 M224I174-V222 HydrophobicContact CD1-CG2 3.98Å; I174-V222 HydrophobicContact CG1-CB 4.42Å; I174-V222 HydrophobicContact CG1-CG2 3.94Å; L176-V222 HydrophobicContact CD1-CG1 3.9Å; L176-V222 HydrophobicContact CG-CG1 4.33Å; I207-V222 HydrophobicContact CG1-CG1 4.1Å; I207-V222 HydrophobicContact CG2-CB 4.34Å; L210-V222 HydrophobicContact CB-CG2 3.88Å; L210-V222 HydrophobicContact CD1-CG2 4.36Å; D211-V222 HydrophobicContact CB-CB 4.5Å; D211-V222 HydrophobicContact CB-CG2 4.11Å; D211-V222 PolarHBondContact OD2-N 3.49Å; V222-M224 HydrophobicContact CG1-CG 4.22Å; V222-M224 HydrophobicContact CG1-SD 3.75Å
223D95.1Very high90.7Very high19 Ų1956.8 Ų56.810%0.10230%0.295CS..EExtended strand (participates in β ladder)trans-111120.3175.9-173.7-1.8000110.8D173 I174 D175 L176 R225D173-D223 HydrophobicContact CB-CB 4.49Å; I174-D223 PolarHBondContact O-N 3.36Å; D175-D223 CarbonylContact C-O 3.58Å; D175-D223 WeakPolarHBondContact CA-O 3.43Å; D175-D223 WeakPolarHBondContact OD1-CB 3.14Å; L176-D223 PolarHBondContact N-O 2.91Å; D223-R225 VanDerWaalsContact CG-NE 3.25Å; D223-R225 WeakPolarHBondContact OD1-CB 3.41Å; D223-R225 WeakPolarHBondContact OD1-CG 3.36Å; D223-R225 IonicContact OD1-CZ 3.13Å; D223-R225 PolarHBondContact OD1-N 3.01Å; D223-R225 IonicContact OD1-NE 3.4Å; D223-R225 PolarHBondContact OD1-NE 2.94Å; D223-R225 IonicContact OD2-CZ 2.99Å; D223-R225 IonicContact OD2-NE 2.73Å; D223-R225 PolarHBondContact OD2-NE 3.05Å; D223-R225 IonicContact OD2-NH2 3.29Å; D223-R225 PolarHBondContact OD2-NH2 3.38Å
224M94.1Very high90.4Very high15 Ų1555.6 Ų55.67%0.07429%0.288CS..  trans-106.16.2-179.7-58.2-58.8-5800112.7L176 F178 I207 V222 L226 R227 L235L176-M224 HydrophobicContact CB-CE 4.31Å; L176-M224 HydrophobicContact CB-SD 3.79Å; L176-M224 VanDerWaalsContact O-CE 3.3Å; L176-M224 WeakPolarHBondContact O-CE 3.17Å; F178-M224 HydrophobicContact CB-CE 4.49Å; F178-M224 HydrophobicContact CD1-CE 4.03Å; F178-M224 HydrophobicContact CD2-CE 3.54Å; F178-M224 HydrophobicContact CE1-CE 4.11Å; F178-M224 HydrophobicContact CE1-SD 4.38Å; F178-M224 HydrophobicContact CE2-CE 3.64Å; F178-M224 HydrophobicContact CE2-SD 4.01Å; F178-M224 HydrophobicContact CG-CE 3.74Å; F178-M224 HydrophobicContact CZ-CE 3.92Å; F178-M224 HydrophobicContact CZ-SD 3.93Å; I207-M224 HydrophobicContact CD1-CG 3.76Å; I207-M224 HydrophobicContact CD1-SD 4.14Å; V222-M224 HydrophobicContact CG1-CG 4.22Å; V222-M224 HydrophobicContact CG1-SD 3.75Å; M224-L226 VanDerWaalsContact C-N 3.27Å; M224-L226 PolarHBondContact O-N 3.03Å; M224-R227 WeakPolarHBondContact O-CD 3.38Å; M224-R227 WeakPolarHBondContact O-CG 3.44Å; M224-R227 PolarHBondContact O-N 2.66Å; M224-R227 PolarHBondContact O-NH1 3.03Å; M224-L235 HydrophobicContact CB-CD1 4.36Å; M224-L235 HydrophobicContact CE-CD1 4.02Å; M224-L235 HydrophobicContact CG-CD1 4.03Å
225R87.9Confident90.5Very high137 Ų13754.9 Ų54.952%0.51728%0.282SS..THydrogen-bonded Turntrans-69.1-21.5-169.9-67.6176-62.2-170.9-0.5114.2D223 R227 E231D223-R225 VanDerWaalsContact CG-NE 3.25Å; D223-R225 WeakPolarHBondContact OD1-CB 3.41Å; D223-R225 WeakPolarHBondContact OD1-CG 3.36Å; D223-R225 IonicContact OD1-CZ 3.13Å; D223-R225 PolarHBondContact OD1-N 3.01Å; D223-R225 IonicContact OD1-NE 3.4Å; D223-R225 PolarHBondContact OD1-NE 2.94Å; D223-R225 IonicContact OD2-CZ 2.99Å; D223-R225 IonicContact OD2-NE 2.73Å; D223-R225 PolarHBondContact OD2-NE 3.05Å; D223-R225 IonicContact OD2-NH2 3.29Å; D223-R225 PolarHBondContact OD2-NH2 3.38Å; R225-R227 VanDerWaalsContact C-N 3.27Å; R225-R227 PolarHBondContact O-N 3.28Å; R225-E231 WeakPolarHBondContact CD-OE1 3.47Å; R225-E231 HydrophobicContact CG-CG 3.68Å; R225-E231 WeakPolarHBondContact CG-OE1 3.48Å
226L89.2Confident90.7Very high52 Ų5246.8 Ų46.827%0.27225%0.245SC..THydrogen-bonded Turntrans-79.8-3.5179.3-64.7-176.5000114.2M160 D175 M224 W253M160-L226 HydrophobicContact CB-CD1 3.9Å; M160-L226 HydrophobicContact CG-CD1 4.34Å; D175-L226 HydrophobicContact CB-CD1 4.05Å; M224-L226 VanDerWaalsContact C-N 3.27Å; M224-L226 PolarHBondContact O-N 3.03Å; L226-W253 HydrophobicContact CD2-CZ3 4.34Å
227R91.1Very high90.7Very high26 Ų2645 Ų4510%0.09824%0.235CC..SBendtrans-68.8157.1177.177.3-169.6-177.6-86.31.8111.7I177 M224 R225 F229 G230 E231 G233 P234I177-R227 HydrophobicContact CG1-CB 4.31Å; I177-R227 HydrophobicContact CG2-CB 4.43Å; M224-R227 WeakPolarHBondContact O-CD 3.38Å; M224-R227 WeakPolarHBondContact O-CG 3.44Å; M224-R227 PolarHBondContact O-N 2.66Å; M224-R227 PolarHBondContact O-NH1 3.03Å; R225-R227 VanDerWaalsContact C-N 3.27Å; R225-R227 PolarHBondContact O-N 3.28Å; R227-F229 PolarHBondContact O-N 2.78Å; R227-G230 PolarHBondContact NE-O 3.18Å; R227-G230 PolarHBondContact NH1-O 2.91Å; R227-G230 PolarHBondContact NH2-O 3.39Å; R227-G230 WeakPolarHBondContact O-CA 3.28Å; R227-G230 PolarHBondContact O-N 2.62Å; R227-E231 PolarHBondContact NH2-O 3.41Å; R227-G233 PolarHBondContact NE-O 2.93Å; R227-G233 PolarHBondContact NH2-O 2.8Å; R227-P234 WeakPolarHBondContact CD-O 3.48Å; R227-P234 PolarHBondContact NE-O 2.99Å; R227-P234 VanDerWaalsContact NE-O 3.1Å
228P85.9Confident90.9Very high0 Ų044.2 Ų44.20%023%0.226CC..THydrogen-bonded Turntrans-46.4135.3171.6-32.438.5000113.1G230 L237 Y245 Y246P228-G230 PolarHBondContact O-N 3.44Å; P228-L237 HydrophobicContact CB-CD1 4.22Å; P228-L237 HydrophobicContact CB-CD2 3.77Å; P228-L237 HydrophobicContact CG-CD1 4.22Å; P228-L237 HydrophobicContact CG-CD2 4.07Å; P228-Y245 HydrophobicContact CB-CD1 3.65Å; P228-Y245 HydrophobicContact CB-CD2 3.97Å; P228-Y245 HydrophobicContact CB-CE1 3.84Å; P228-Y245 HydrophobicContact CB-CE2 4.14Å; P228-Y245 HydrophobicContact CB-CG 3.71Å; P228-Y245 HydrophobicContact CG-CD1 3.79Å; P228-Y245 HydrophobicContact CG-CE1 4.11Å; P228-Y245 HydrophobicContact CG-CG 4.23Å; P228-Y246 HydrophobicContact CG-CE2 4.45Å
229F84.9Confident90.9Very high100 Ų10041.8 Ų41.844%0.43922%0.216SC..THydrogen-bonded Turntrans63.610.1-174.9-43.1-78.4000115.8R227 G233 L237 Y245R227-F229 PolarHBondContact O-N 2.78Å; F229-G233 PolarHBondContact O-N 3.38Å; F229-L237 HydrophobicContact CE2-CD2 4.28Å; F229-Y245 HydrophobicContact CD1-CD2 4.15Å; F229-Y245 AromaticContact CD1-CE2 3.91Å; F229-Y245 HydrophobicContact CD1-CE2 3.91Å; F229-Y245 HydrophobicContact CD2-CD2 4.33Å; F229-Y245 HydrophobicContact CD2-CE2 4.49Å; F229-Y245 AromaticContact CE1-CD2 3.66Å; F229-Y245 HydrophobicContact CE1-CD2 3.66Å; F229-Y245 AromaticContact CE1-CE2 3.85Å; F229-Y245 HydrophobicContact CE1-CE2 3.85Å; F229-Y245 AromaticContact CE2-CD2 3.87Å; F229-Y245 HydrophobicContact CE2-CD2 3.87Å; F229-Y245 HydrophobicContact CE2-CE2 4.44Å; F229-Y245 HydrophobicContact CG-CD2 4.46Å; F229-Y245 HydrophobicContact CG-CE2 4.24Å; F229-Y245 AromaticContact CZ-CD2 3.52Å; F229-Y245 HydrophobicContact CZ-CD2 3.52Å; F229-Y245 HydrophobicContact CZ-CE2 4.14Å; F229-Y245 HydrophobicContact CZ-CG 4.47Å
230G82.4Confident90.6Very high20 Ų2044.2 Ų44.221%0.20624%0.236CC..G310 helixtrans60.2-146.1174.200000113.8R227 P228 S232 G233R227-G230 PolarHBondContact NE-O 3.18Å; R227-G230 PolarHBondContact NH1-O 2.91Å; R227-G230 PolarHBondContact NH2-O 3.39Å; R227-G230 WeakPolarHBondContact O-CA 3.28Å; R227-G230 PolarHBondContact O-N 2.62Å; P228-G230 PolarHBondContact O-N 3.44Å; G230-S232 PolarHBondContact O-N 2.99Å; G230-G233 PolarHBondContact O-N 3.07Å; G230-G233 VanDerWaalsContact O-N 3.11Å
231E82.8Confident90.3Very high139 Ų13945.8 Ų45.865%0.6525%0.25SC*.G310 helixtrans-61.4-27-178.3-68.7-176.6176.500114.1R225 R227R225-E231 WeakPolarHBondContact CD-OE1 3.47Å; R225-E231 HydrophobicContact CG-CG 3.68Å; R225-E231 WeakPolarHBondContact CG-OE1 3.48Å; R227-E231 PolarHBondContact NH2-O 3.41Å
232S78.8Confident90Very high125 Ų12541.2 Ų41.287%0.87423%0.232SC*.G310 helixtrans-85.2-11-179.9-60.10000113.3G230G230-S232 PolarHBondContact O-N 2.99Å
233G83.5Confident89.7Confident11 Ų1144.5 Ų44.511%0.11325%0.246CC..SBendtrans-76.7162.3179.400000114.2R227 F229 G230R227-G233 PolarHBondContact NE-O 2.93Å; R227-G233 PolarHBondContact NH2-O 2.8Å; F229-G233 PolarHBondContact O-N 3.38Å; G230-G233 PolarHBondContact O-N 3.07Å; G230-G233 VanDerWaalsContact O-N 3.11Å
234P89.8Confident89.3Confident70 Ų7047.6 Ų47.646%0.45526%0.263SS..  trans-55146.2169.827.4-35.2000110.5R227 V236 L237R227-P234 WeakPolarHBondContact CD-O 3.48Å; R227-P234 PolarHBondContact NE-O 2.99Å; R227-P234 VanDerWaalsContact NE-O 3.1Å; P234-V236 VanDerWaalsContact C-N 3.27Å; P234-V236 PolarHBondContact O-N 3.42Å; P234-L237 HydrophobicContact CG-CD1 4.07Å; P234-L237 HydrophobicContact CG-CD2 4.34Å; P234-L237 HydrophobicContact CG-CG 3.91Å
235L95.6Very high89.1Confident28 Ų2848 Ų4815%0.14726%0.264CS..SBendtrans-67.7-32.1-177.4-177.162.2000112.3F178 Q204 I207 M224F178-L235 HydrophobicContact CD2-CG 4.31Å; Q204-L235 HydrophobicContact CG-CD2 3.82Å; I207-L235 HydrophobicContact CD1-CD1 3.82Å; I207-L235 HydrophobicContact CD1-CD2 4.07Å; I207-L235 HydrophobicContact CD1-CG 4.5Å; M224-L235 HydrophobicContact CB-CD1 4.36Å; M224-L235 HydrophobicContact CE-CD1 4.02Å; M224-L235 HydrophobicContact CG-CD1 4.03Å
236V96.4Very high89.1Confident4 Ų441.9 Ų41.92%0.02424%0.241CC..EExtended strand (participates in β ladder)trans-133.6142.2-178.6-163.10000107.6L155 F178 W180 F199 P234L155-V236 HydrophobicContact CD1-CG1 3.98Å; F178-V236 HydrophobicContact CB-CB 4.16Å; F178-V236 HydrophobicContact CB-CG1 3.75Å; F178-V236 HydrophobicContact CB-CG2 3.86Å; F178-V236 HydrophobicContact CD2-CG2 4.19Å; F178-V236 WeakPolarHBondContact O-CA 3.48Å; F178-V236 WeakPolarHBondContact O-CG1 3.39Å; W180-V236 HydrophobicContact CE3-CB 4.13Å; W180-V236 HydrophobicContact CE3-CG1 3.49Å; W180-V236 VanDerWaalsContact CE3-CG1 3.49Å; W180-V236 HydrophobicContact CZ3-CB 3.99Å; W180-V236 HydrophobicContact CZ3-CG1 3.87Å; W180-V236 WeakPolarHBondContact CZ3-O 3.23Å; F199-V236 HydrophobicContact CB-CB 4.41Å; F199-V236 HydrophobicContact CB-CG1 4.12Å; F199-V236 HydrophobicContact CB-CG2 4.38Å; P234-V236 VanDerWaalsContact C-N 3.27Å; P234-V236 PolarHBondContact O-N 3.42Å
237L94.3Very high88.6Confident5 Ų546.6 Ų46.63%0.02626%0.261CS..EExtended strand (participates in β ladder)trans-120.3150.9176.9-7090.8000111.9F178 A179 W180 P228 F229 P234 A241F178-L237 PolarHBondContact O-N 3.32Å; A179-L237 CarbonylContact C-O 3.19Å; A179-L237 WeakPolarHBondContact CA-O 2.93Å; W180-L237 PolarHBondContact N-O 3.05Å; P228-L237 HydrophobicContact CB-CD1 4.22Å; P228-L237 HydrophobicContact CB-CD2 3.77Å; P228-L237 HydrophobicContact CG-CD1 4.22Å; P228-L237 HydrophobicContact CG-CD2 4.07Å; F229-L237 HydrophobicContact CE2-CD2 4.28Å; P234-L237 HydrophobicContact CG-CD1 4.07Å; P234-L237 HydrophobicContact CG-CD2 4.34Å; P234-L237 HydrophobicContact CG-CG 3.91Å; L237-A241 HydrophobicContact CB-CB 4.46Å; L237-A241 HydrophobicContact CD2-CB 4.2Å
238S95.1Very high88Confident4 Ų452.4 Ų52.43%0.02829%0.29CS..EExtended strand (participates in β ladder)trans-72.4160.9165.758.60000110.3W180 H183 A240 A241 L242W180-S238 CarbonylContact O-C 3.54Å; W180-S238 VanDerWaalsContact O-CA 3.28Å; W180-S238 WeakPolarHBondContact O-CA 3.14Å; H183-S238 PolarHBondContact CE1-OG 3.22Å; H183-S238 PolarHBondContact NE2-OG 2.67Å; S238-A240 VanDerWaalsContact C-N 3.32Å; S238-A240 PolarHBondContact O-N 2.92Å; S238-A241 PolarHBondContact O-N 3.13Å; S238-A241 PolarHBondContact OG-N 2.54Å; S238-L242 WeakPolarHBondContact O-CB 3.03Å; S238-L242 PolarHBondContact O-N 3.35Å
239F94.9Very high87.6Confident4 Ų457.3 Ų57.32%0.01831%0.313CS..Hα-helixtrans-55.7-46.2174.4-84.518000112.3L156 A179 W180 P181 A241 L242 E243 Y271 E274 L275 M278L156-F239 HydrophobicContact CD1-CE1 3.97Å; L156-F239 HydrophobicContact CD1-CZ 3.57Å; A179-F239 HydrophobicContact CB-CD1 4.31Å; A179-F239 HydrophobicContact CB-CE1 4.16Å; W180-F239 WeakPolarHBondContact O-CD1 3.45Å; W180-F239 PolarHBondContact O-N 3.04Å; P181-F239 HydrophobicContact CB-CD2 4.03Å; P181-F239 HydrophobicContact CB-CE2 3.9Å; P181-F239 HydrophobicContact CB-CG 4.42Å; P181-F239 HydrophobicContact CB-CZ 4.17Å; P181-F239 HydrophobicContact CG-CE2 4.33Å; P181-F239 HydrophobicContact CG-CZ 4.16Å; P181-F239 PolarHBondContact O-N 3.41Å; F239-A241 PolarHBondContact O-N 2.96Å; F239-L242 PolarHBondContact O-N 3.06Å; F239-L242 VanDerWaalsContact O-N 3.16Å; F239-E243 PolarHBondContact O-N 3.03Å; F239-Y271 WeakPolarHBondContact CE2-O 3.35Å; F239-Y271 WeakPolarHBondContact CZ-O 3.4Å; F239-E274 HydrophobicContact CD2-CG 3.99Å; F239-E274 HydrophobicContact CE2-CB 4.08Å; F239-E274 HydrophobicContact CE2-CG 4.04Å; F239-L275 HydrophobicContact CD1-CD1 4.04Å; F239-L275 HydrophobicContact CE1-CB 4.1Å; F239-L275 HydrophobicContact CE1-CD1 3.85Å; F239-L275 HydrophobicContact CE1-CD2 4.14Å; F239-L275 HydrophobicContact CE1-CG 4.25Å; F239-L275 HydrophobicContact CE2-CB 4.1Å; F239-L275 HydrophobicContact CZ-CB 3.68Å; F239-L275 HydrophobicContact CZ-CD1 4.3Å; F239-L275 HydrophobicContact CZ-CD2 4.38Å; F239-L275 HydrophobicContact CZ-CG 4.33Å; F239-M278 HydrophobicContact CB-CE 3.61Å; F239-M278 HydrophobicContact CD2-CE 4.24Å; F239-M278 HydrophobicContact CG-CE 3.99Å; F239-M278 VanDerWaalsContact O-CE 3.31Å; F239-M278 WeakPolarHBondContact O-CE 3.15Å
240A90.9Very high87.3Confident50 Ų5053.1 Ų53.141%0.41330%0.298SS..Hα-helixtrans-57-48.4176.500000112.4S238 L242 E243 D244S238-A240 VanDerWaalsContact C-N 3.32Å; S238-A240 PolarHBondContact O-N 2.92Å; A240-L242 VanDerWaalsContact C-N 3.26Å; A240-L242 PolarHBondContact O-N 3.13Å; A240-E243 PolarHBondContact O-N 3.28Å; A240-D244 VanDerWaalsContact O-CG 3.28Å; A240-D244 PolarHBondContact O-N 3.25Å
241A90.5Very high87.2Confident36 Ų3660.3 Ų60.330%0.29832%0.319SS..Hα-helixtrans-66.6-30179.700000113L237 S238 F239 Y245L237-A241 HydrophobicContact CB-CB 4.46Å; L237-A241 HydrophobicContact CD2-CB 4.2Å; S238-A241 PolarHBondContact O-N 3.13Å; S238-A241 PolarHBondContact OG-N 2.54Å; F239-A241 PolarHBondContact O-N 2.96Å; A241-Y245 WeakPolarHBondContact O-CB 3.41Å; A241-Y245 PolarHBondContact O-N 3.46Å
242L91.2Very high87Confident0 Ų055.2 Ų55.20%030%0.296CS..Hα-helixtrans-74.4-39.7177.4-168.6153.5000111A179 S238 F239 A240 Y246 L275 M278 L279A179-L242 HydrophobicContact CB-CD1 4.01Å; S238-L242 WeakPolarHBondContact O-CB 3.03Å; S238-L242 PolarHBondContact O-N 3.35Å; F239-L242 PolarHBondContact O-N 3.06Å; F239-L242 VanDerWaalsContact O-N 3.16Å; A240-L242 VanDerWaalsContact C-N 3.26Å; A240-L242 PolarHBondContact O-N 3.13Å; L242-Y246 HydrophobicContact CD2-CD2 3.59Å; L242-Y246 HydrophobicContact CD2-CE2 3.55Å; L242-Y246 HydrophobicContact CG-CD2 4.12Å; L242-Y246 HydrophobicContact CG-CE2 3.81Å; L242-Y246 VanDerWaalsContact O-CD2 3.23Å; L242-Y246 WeakPolarHBondContact O-CD2 3.49Å; L242-Y246 PolarHBondContact O-N 3.33Å; L242-L275 HydrophobicContact CD1-CD1 4.34Å; L242-L275 HydrophobicContact CD2-CD1 4.09Å; L242-M278 HydrophobicContact CD2-SD 3.74Å; L242-L279 HydrophobicContact CD2-CD2 3.68Å; L242-L279 HydrophobicContact CD2-CG 4.36Å
243E88.8Confident87.1Confident89 Ų8954.8 Ų54.842%0.41628%0.275SS..Hα-helixtrans-61.1-53.7173.4-170.8165.5-157.800111.4F239 A240 Y245 Y246 Q247 M278F239-E243 PolarHBondContact O-N 3.03Å; A240-E243 PolarHBondContact O-N 3.28Å; E243-Y245 VanDerWaalsContact C-N 3.27Å; E243-Y245 PolarHBondContact O-N 3.18Å; E243-Y246 PolarHBondContact O-N 3.14Å; E243-Q247 VanDerWaalsContact O-CB 3.32Å; E243-Q247 WeakPolarHBondContact O-CB 3.26Å; E243-Q247 PolarHBondContact O-N 3.26Å; E243-M278 HydrophobicContact CB-CE 3.99Å; E243-M278 HydrophobicContact CB-CG 3.88Å; E243-M278 HydrophobicContact CB-SD 3.66Å; E243-M278 HydrophobicContact CG-CG 3.84Å; E243-M278 HydrophobicContact CG-SD 4.31Å
244D86.5Confident87.3Confident85 Ų8554.7 Ų54.746%0.45527%0.272SS..Hα-helixtrans-54.2-45.7179.2-69.6-18.1000111A240 E248A240-D244 VanDerWaalsContact O-CG 3.28Å; A240-D244 PolarHBondContact O-N 3.25Å; D244-E248 VanDerWaalsContact O-CB 3.31Å; D244-E248 WeakPolarHBondContact O-CB 3.28Å; D244-E248 WeakPolarHBondContact O-CG 3.38Å; D244-E248 PolarHBondContact O-N 3.45Å
245Y89.7Confident87.3Confident24 Ų2453.2 Ų53.29%0.09426%0.257CS..Hα-helixtrans-60.5-52.2-179.8177.8-97.1000112.8P228 F229 A241 E243 Q247 Q249 G250 E254P228-Y245 HydrophobicContact CB-CD1 3.65Å; P228-Y245 HydrophobicContact CB-CD2 3.97Å; P228-Y245 HydrophobicContact CB-CE1 3.84Å; P228-Y245 HydrophobicContact CB-CE2 4.14Å; P228-Y245 HydrophobicContact CB-CG 3.71Å; P228-Y245 HydrophobicContact CG-CD1 3.79Å; P228-Y245 HydrophobicContact CG-CE1 4.11Å; P228-Y245 HydrophobicContact CG-CG 4.23Å; F229-Y245 HydrophobicContact CD1-CD2 4.15Å; F229-Y245 AromaticContact CD1-CE2 3.91Å; F229-Y245 HydrophobicContact CD1-CE2 3.91Å; F229-Y245 HydrophobicContact CD2-CD2 4.33Å; F229-Y245 HydrophobicContact CD2-CE2 4.49Å; F229-Y245 AromaticContact CE1-CD2 3.66Å; F229-Y245 HydrophobicContact CE1-CD2 3.66Å; F229-Y245 AromaticContact CE1-CE2 3.85Å; F229-Y245 HydrophobicContact CE1-CE2 3.85Å; F229-Y245 AromaticContact CE2-CD2 3.87Å; F229-Y245 HydrophobicContact CE2-CD2 3.87Å; F229-Y245 HydrophobicContact CE2-CE2 4.44Å; F229-Y245 HydrophobicContact CG-CD2 4.46Å; F229-Y245 HydrophobicContact CG-CE2 4.24Å; F229-Y245 AromaticContact CZ-CD2 3.52Å; F229-Y245 HydrophobicContact CZ-CD2 3.52Å; F229-Y245 HydrophobicContact CZ-CE2 4.14Å; F229-Y245 HydrophobicContact CZ-CG 4.47Å; A241-Y245 WeakPolarHBondContact O-CB 3.41Å; A241-Y245 PolarHBondContact O-N 3.46Å; E243-Y245 VanDerWaalsContact C-N 3.27Å; E243-Y245 PolarHBondContact O-N 3.18Å; Y245-Q247 VanDerWaalsContact C-N 3.34Å; Y245-Q247 PolarHBondContact O-N 3.46Å; Y245-Q249 HydrophobicContact CD2-CB 4.34Å; Y245-Q249 HydrophobicContact CE2-CB 4.31Å; Y245-Q249 CarbonylContact O-C 3.6Å; Y245-Q249 WeakPolarHBondContact O-CA 3.08Å; Y245-Q249 WeakPolarHBondContact O-CB 3.29Å; Y245-Q249 PolarHBondContact O-N 2.93Å; Y245-G250 PolarHBondContact O-N 3.35Å; Y245-G250 VanDerWaalsContact O-N 3.14Å; Y245-E254 WeakPolarHBondContact CE1-OE1 3.44Å; Y245-E254 VanDerWaalsContact CZ-OE1 3.26Å; Y245-E254 PolarHBondContact OH-OE1 3.31Å
246Y87.9Confident87.1Confident7 Ų753.9 Ų53.93%0.02726%0.258CS..Hα-helixtrans-72.9-28.7-176-73.2-56.5000112.7P228 L242 E243 G250 E254 M258 L279 F282P228-Y246 HydrophobicContact CG-CE2 4.45Å; L242-Y246 HydrophobicContact CD2-CD2 3.59Å; L242-Y246 HydrophobicContact CD2-CE2 3.55Å; L242-Y246 HydrophobicContact CG-CD2 4.12Å; L242-Y246 HydrophobicContact CG-CE2 3.81Å; L242-Y246 VanDerWaalsContact O-CD2 3.23Å; L242-Y246 WeakPolarHBondContact O-CD2 3.49Å; L242-Y246 PolarHBondContact O-N 3.33Å; E243-Y246 PolarHBondContact O-N 3.14Å; Y246-G250 WeakPolarHBondContact O-CA 3.44Å; Y246-G250 PolarHBondContact O-N 3.05Å; Y246-E254 HydrophobicContact CE1-CB 4.39Å; Y246-M258 HydrophobicContact CE1-CG 4.29Å; Y246-M258 HydrophobicContact CE2-CE 4.44Å; Y246-L279 HydrophobicContact CD2-CD2 3.67Å; Y246-L279 HydrophobicContact CE2-CD2 3.79Å; Y246-F282 AromaticContact CD1-CD1 3.92Å; Y246-F282 HydrophobicContact CD1-CD1 3.92Å; Y246-F282 AromaticContact CD1-CE1 3.41Å; Y246-F282 HydrophobicContact CD1-CE1 3.41Å; Y246-F282 VanDerWaalsContact CD1-CE1 3.41Å; Y246-F282 HydrophobicContact CD1-CE2 4.16Å; Y246-F282 HydrophobicContact CD1-CG 4.48Å; Y246-F282 AromaticContact CD1-CZ 3.55Å; Y246-F282 HydrophobicContact CD1-CZ 3.55Å; Y246-F282 AromaticContact CE1-CE1 3.93Å; Y246-F282 HydrophobicContact CE1-CE1 3.93Å; Y246-F282 HydrophobicContact CE1-CZ 4.29Å; Y246-F282 HydrophobicContact CG-CD1 4.03Å; Y246-F282 HydrophobicContact CG-CE1 4Å; Y246-F282 HydrophobicContact CG-CG 4.32Å; Y246-F282 HydrophobicContact CG-CZ 4.29Å; Y246-F282 VanDerWaalsContact O-CD2 3.24Å; Y246-F282 WeakPolarHBondContact O-CD2 3.43Å; Y246-F282 VanDerWaalsContact O-CE2 3.32Å; Y246-F282 WeakPolarHBondContact O-CE2 3.37Å
247Q79Confident86.9Confident151 Ų15154.7 Ų54.771%0.70627%0.265SS*.Hα-helixtrans-73.4-44.9176.2-174.4173-13.800112.1E243 Y245E243-Q247 VanDerWaalsContact O-CB 3.32Å; E243-Q247 WeakPolarHBondContact O-CB 3.26Å; E243-Q247 PolarHBondContact O-N 3.26Å; Y245-Q247 VanDerWaalsContact C-N 3.34Å; Y245-Q247 PolarHBondContact O-N 3.46Å
248E78.6Confident86.8Confident149 Ų14955 Ų5570%0.69627%0.266SS*.Hα-helixtrans-90-37.7-173.2-62.8-175164.600113.6D244D244-E248 VanDerWaalsContact O-CB 3.31Å; D244-E248 WeakPolarHBondContact O-CB 3.28Å; D244-E248 WeakPolarHBondContact O-CG 3.38Å; D244-E248 PolarHBondContact O-N 3.45Å
249Q78.9Confident86.8Confident103 Ų10354.9 Ų54.948%0.48127%0.266SS..THydrogen-bonded Turntrans-119-9.6-169.4-57-17538.900113.5Y245 R251Y245-Q249 HydrophobicContact CD2-CB 4.34Å; Y245-Q249 HydrophobicContact CE2-CB 4.31Å; Y245-Q249 CarbonylContact O-C 3.6Å; Y245-Q249 WeakPolarHBondContact O-CA 3.08Å; Y245-Q249 WeakPolarHBondContact O-CB 3.29Å; Y245-Q249 PolarHBondContact O-N 2.93Å; Q249-R251 WeakPolarHBondContact O-CG 3.27Å; Q249-R251 PolarHBondContact O-N 3.39Å
250G78.3Confident86.7Confident12 Ų1255 Ų5512%0.12427%0.266CS..  trans-61.2113.9-172.900000113.9Y245 Y246 E254 R255Y245-G250 PolarHBondContact O-N 3.35Å; Y245-G250 VanDerWaalsContact O-N 3.14Å; Y246-G250 WeakPolarHBondContact O-CA 3.44Å; Y246-G250 PolarHBondContact O-N 3.05Å; G250-E254 WeakPolarHBondContact CA-OE2 3.5Å; G250-R255 PolarHBondContact O-NH1 2.93Å; G250-R255 PolarHBondContact O-NH2 2.99Å
251R79.5Confident86.9Confident171 Ų17153.4 Ų53.465%0.64525%0.253SS*.  trans-88.7160.1-177.8-55.3-173.3-172.9173.82.6111.4Q249 W253 E254 R255Q249-R251 WeakPolarHBondContact O-CG 3.27Å; Q249-R251 PolarHBondContact O-N 3.39Å; R251-W253 VanDerWaalsContact C-N 3.26Å; R251-W253 HydrophobicContact CB-CG 4.49Å; R251-W253 PolarHBondContact O-N 2.98Å; R251-E254 PolarHBondContact N-OE2 2.99Å; R251-E254 WeakPolarHBondContact O-CA 3.38Å; R251-E254 WeakPolarHBondContact O-CB 3.35Å; R251-E254 PolarHBondContact O-N 3.36Å; R251-R255 PolarHBondContact O-N 3.48Å; R251-R255 VanDerWaalsContact O-N 3.09Å
252D78.1Confident87.1Confident32 Ų3253.8 Ų53.817%0.17125%0.247CC..Hα-helixtrans-63.8-28.3-179.8-70.3-44.1000114.2E254 R255 Y256 R285 S295D252-E254 VanDerWaalsContact C-N 3.27Å; D252-E254 PolarHBondContact O-N 3.47Å; D252-R255 WeakPolarHBondContact O-CB 3.26Å; D252-R255 PolarHBondContact O-N 3.26Å; D252-R255 IonicContact OD1-CZ 2.83Å; D252-R255 IonicContact OD1-NH1 2.93Å; D252-R255 PolarHBondContact OD1-NH1 3.13Å; D252-Y256 PolarHBondContact O-N 3.34Å; D252-R285 IonicContact OD1-CZ 2.73Å; D252-R285 IonicContact OD1-NH1 3.47Å; D252-R285 PolarHBondContact OD1-NH1 3.49Å; D252-R285 IonicContact OD1-NH2 3.64Å; D252-R285 PolarHBondContact OD1-NH2 3.5Å; D252-S295 WeakPolarHBondContact CB-OG 3.43Å; D252-S295 VanDerWaalsContact CG-OG 3.23Å; D252-S295 WeakPolarHBondContact OD2-CB 3.49Å; D252-S295 PolarHBondContact OD2-OG 3.05Å
253W82.4Confident87.3Confident116 Ų11654.2 Ų54.244%0.43925%0.249SC..Hα-helixtrans-67.7-30172.778.2-94.8000112L226 R251 Y256 A257 M299L226-W253 HydrophobicContact CD2-CZ3 4.34Å; R251-W253 VanDerWaalsContact C-N 3.26Å; R251-W253 HydrophobicContact CB-CG 4.49Å; R251-W253 PolarHBondContact O-N 2.98Å; W253-Y256 WeakPolarHBondContact O-CB 3.31Å; W253-Y256 PolarHBondContact O-N 2.83Å; W253-A257 PolarHBondContact O-N 2.92Å; W253-M299 HydrophobicContact CB-CE 4Å
254E87.8Confident87.6Confident9 Ų950 Ų504%0.04223%0.229CC..Hα-helixtrans-73.7-38174.4-64.7173.2123.500110.2Y245 Y246 G250 R251 D252 Y256 A257 M258 F282Y245-E254 WeakPolarHBondContact CE1-OE1 3.44Å; Y245-E254 VanDerWaalsContact CZ-OE1 3.26Å; Y245-E254 PolarHBondContact OH-OE1 3.31Å; Y246-E254 HydrophobicContact CE1-CB 4.39Å; G250-E254 WeakPolarHBondContact CA-OE2 3.5Å; R251-E254 PolarHBondContact N-OE2 2.99Å; R251-E254 WeakPolarHBondContact O-CA 3.38Å; R251-E254 WeakPolarHBondContact O-CB 3.35Å; R251-E254 PolarHBondContact O-N 3.36Å; D252-E254 VanDerWaalsContact C-N 3.27Å; D252-E254 PolarHBondContact O-N 3.47Å; E254-Y256 VanDerWaalsContact C-N 3.29Å; E254-Y256 PolarHBondContact O-N 2.86Å; E254-A257 PolarHBondContact O-N 3.17Å; E254-M258 WeakPolarHBondContact O-CB 3.2Å; E254-M258 WeakPolarHBondContact O-CG 3.41Å; E254-M258 PolarHBondContact O-N 3.39Å; E254-F282 HydrophobicContact CB-CE1 4.37Å; E254-F282 HydrophobicContact CB-CZ 4.01Å
255R89.5Confident87.9Confident39 Ų3947 Ų4715%0.14722%0.219CC..Hα-helixtrans-56-47169.4-64.4-175.8175.479.517.3110.9G250 R251 D252 A257 M258 V259 F282 L335G250-R255 PolarHBondContact O-NH1 2.93Å; G250-R255 PolarHBondContact O-NH2 2.99Å; R251-R255 PolarHBondContact O-N 3.48Å; R251-R255 VanDerWaalsContact O-N 3.09Å; D252-R255 WeakPolarHBondContact O-CB 3.26Å; D252-R255 PolarHBondContact O-N 3.26Å; D252-R255 IonicContact OD1-CZ 2.83Å; D252-R255 IonicContact OD1-NH1 2.93Å; D252-R255 PolarHBondContact OD1-NH1 3.13Å; R255-A257 PolarHBondContact O-N 3.49Å; R255-M258 PolarHBondContact O-N 2.85Å; R255-V259 WeakPolarHBondContact O-CG2 3.39Å; R255-V259 PolarHBondContact O-N 3.05Å; R255-V259 VanDerWaalsContact O-N 3.16Å; R255-F282 HydrophobicContact CB-CE1 4.46Å; R255-F282 HydrophobicContact CB-CZ 4.41Å; R255-F282 WeakPolarHBondContact CD-O 3.27Å; R255-F282 HydrophobicContact CG-CD1 4.29Å; R255-F282 HydrophobicContact CG-CD2 4.21Å; R255-F282 HydrophobicContact CG-CE1 3.78Å; R255-F282 HydrophobicContact CG-CE2 3.67Å; R255-F282 HydrophobicContact CG-CG 4.49Å; R255-F282 HydrophobicContact CG-CZ 3.44Å; R255-F282 VanDerWaalsContact CG-CZ 3.44Å; R255-F282 WeakPolarHBondContact CG-O 3.36Å; R255-F282 PolarHBondContact NE-O 2.93Å; R255-L335 HydrophobicContact CB-CD2 4.04Å
256Y90.7Very high87.7Confident41 Ų4151.3 Ų51.316%0.16124%0.244CC..Hα-helixtrans-56-47.5175.3179.4-87000111.8D252 W253 E254 M258 V259 M299 F328 Q331 L335D252-Y256 PolarHBondContact O-N 3.34Å; W253-Y256 WeakPolarHBondContact O-CB 3.31Å; W253-Y256 PolarHBondContact O-N 2.83Å; E254-Y256 VanDerWaalsContact C-N 3.29Å; E254-Y256 PolarHBondContact O-N 2.86Å; Y256-M258 PolarHBondContact O-N 3.26Å; Y256-V259 PolarHBondContact O-N 2.89Å; Y256-M299 HydrophobicContact CD2-SD 4.05Å; Y256-M299 HydrophobicContact CG-SD 4.07Å; Y256-F328 AromaticContact CE2-CD2 3.81Å; Y256-F328 HydrophobicContact CE2-CD2 3.81Å; Y256-F328 HydrophobicContact CE2-CE2 4.42Å; Y256-F328 PolarHBondContact OH-N 2.91Å; Y256-Q331 HydrophobicContact CD2-CB 3.92Å; Y256-Q331 HydrophobicContact CE2-CB 3.49Å; Y256-Q331 VanDerWaalsContact CE2-CB 3.49Å; Y256-Q331 HydrophobicContact CE2-CG 4.21Å; Y256-Q331 PolarHBondContact O-NE2 3.46Å; Y256-L335 HydrophobicContact CD2-CD1 4.14Å
257A91.3Very high87.2Confident22 Ų2253 Ų5318%0.18226%0.257CS..Hα-helixtrans-63.6-40.9177.300000112.7M160 W253 E254 R255 V259 K260M160-A257 HydrophobicContact CE-CB 4.35Å; W253-A257 PolarHBondContact O-N 2.92Å; E254-A257 PolarHBondContact O-N 3.17Å; R255-A257 PolarHBondContact O-N 3.49Å; A257-V259 VanDerWaalsContact C-N 3.28Å; A257-V259 PolarHBondContact O-N 3.44Å; A257-K260 PolarHBondContact O-N 3.35Å
258M93.8Very high87.3Confident10 Ų1053.6 Ų53.65%0.04926%0.26CS..Hα-helixtrans-71.8-15.7-176.8-69.7-57.5-67.300114.1L158 M160 I177 Y246 E254 R255 Y256 K260 A261 L279 F282 V283L158-M258 HydrophobicContact CD1-CE 4.19Å; M160-M258 HydrophobicContact CE-CG 4.49Å; M160-M258 HydrophobicContact CE-SD 3.43Å; M160-M258 WeakPolarHBondContact CE-SD 3.35Å; M160-M258 HydrophobicContact SD-SD 4.23Å; I177-M258 HydrophobicContact CD1-SD 4.34Å; Y246-M258 HydrophobicContact CE1-CG 4.29Å; Y246-M258 HydrophobicContact CE2-CE 4.44Å; E254-M258 WeakPolarHBondContact O-CB 3.2Å; E254-M258 WeakPolarHBondContact O-CG 3.41Å; E254-M258 PolarHBondContact O-N 3.39Å; R255-M258 PolarHBondContact O-N 2.85Å; Y256-M258 PolarHBondContact O-N 3.26Å; M258-K260 PolarHBondContact O-N 3.41Å; M258-K260 VanDerWaalsContact O-N 3.16Å; M258-A261 HydrophobicContact CE-CB 3.68Å; M258-A261 WeakPolarHBondContact O-CB 3.29Å; M258-A261 PolarHBondContact O-N 3.46Å; M258-A261 HydrophobicContact SD-CB 4.06Å; M258-L279 HydrophobicContact CE-CD1 3.46Å; M258-L279 VanDerWaalsContact CE-CD1 3.46Å; M258-L279 HydrophobicContact CE-CD2 3.65Å; M258-L279 HydrophobicContact CE-CG 4.09Å; M258-F282 HydrophobicContact CB-CE1 4.43Å; M258-F282 HydrophobicContact CG-CD1 4.46Å; M258-F282 HydrophobicContact CG-CE1 4.03Å; M258-V283 HydrophobicContact CB-CG2 3.45Å; M258-V283 VanDerWaalsContact CB-CG2 3.45Å
259V94Very high87.6Confident3 Ų347.9 Ų47.92%0.01824%0.241CC..THydrogen-bonded Turntrans-54.1-33.4168.8173.40000111.4R255 Y256 A257 V283 Q331 Q334 L335R255-V259 WeakPolarHBondContact O-CG2 3.39Å; R255-V259 PolarHBondContact O-N 3.05Å; R255-V259 VanDerWaalsContact O-N 3.16Å; Y256-V259 PolarHBondContact O-N 2.89Å; A257-V259 VanDerWaalsContact C-N 3.28Å; A257-V259 PolarHBondContact O-N 3.44Å; V259-V283 HydrophobicContact CB-CG1 4.45Å; V259-V283 HydrophobicContact CG2-CG1 3.72Å; V259-Q331 HydrophobicContact CG1-CG 4.12Å; V259-Q334 HydrophobicContact CG1-CB 4.3Å; V259-Q334 VanDerWaalsContact CG1-CD 3.49Å; V259-Q334 VanDerWaalsContact CG1-OE1 3.31Å; V259-L335 HydrophobicContact CG2-CD2 3.72Å; V259-L335 HydrophobicContact CG2-CG 4.15Å
260K94.1Very high88Confident5 Ų548.5 Ų48.52%0.02225%0.251CS..THydrogen-bonded Turntrans-89.4-9.3-179-62.2-60.1-172.4170.40113.8G161 G164 E167 A257 M258 R262 R347G161-K260 WeakPolarHBondContact O-CB 3.15Å; G164-K260 CarbonylContact C-O 3.6Å; G164-K260 WeakPolarHBondContact CA-O 3.21Å; E167-K260 IonicContact OE1-NZ 2.66Å; E167-K260 PolarHBondContact OE1-NZ 3.5Å; A257-K260 PolarHBondContact O-N 3.35Å; M258-K260 PolarHBondContact O-N 3.41Å; M258-K260 VanDerWaalsContact O-N 3.16Å; K260-R262 PolarHBondContact O-N 3.19Å; K260-R347 WeakPolarHBondContact CD-O 3.22Å; K260-R347 PolarHBondContact NZ-O 3.32Å
261A94.5Very high88.6Confident18 Ų1849.9 Ų49.915%0.14925%0.253CS..  trans-62.5126.6-173.200000111.8G159 M160 M258G159-A261 WeakPolarHBondContact O-CA 3.35Å; M160-A261 HydrophobicContact CE-CB 4.16Å; M160-A261 HydrophobicContact SD-CB 3.71Å; M258-A261 HydrophobicContact CE-CB 3.68Å; M258-A261 WeakPolarHBondContact O-CB 3.29Å; M258-A261 PolarHBondContact O-N 3.46Å; M258-A261 HydrophobicContact SD-CB 4.06Å
262R94.8Very high89.2Confident44 Ų4442 Ų4217%0.16622%0.224CC..EExtended strand (participates in β ladder)trans-137.4131.6177.3-173.4173.66686.8-9.7110.7E124 L158 G159 G164 K260 M264E124-R262 IonicContact OE1-CZ 3.5Å; E124-R262 IonicContact OE1-NH1 3.08Å; E124-R262 PolarHBondContact OE1-NH1 3.39Å; E124-R262 IonicContact OE2-CZ 2.78Å; E124-R262 IonicContact OE2-NH1 3.34Å; E124-R262 PolarHBondContact OE2-NH1 3.11Å; E124-R262 IonicContact OE2-NH2 3.04Å; E124-R262 PolarHBondContact OE2-NH2 3.4Å; L158-R262 CarbonylContact C-O 3.57Å; L158-R262 WeakPolarHBondContact CA-O 3.39Å; G159-R262 PolarHBondContact N-O 3Å; G159-R262 PolarHBondContact O-N 2.95Å; G164-R262 WeakPolarHBondContact O-CB 3.49Å; G164-R262 WeakPolarHBondContact O-CD 3.47Å; G164-R262 PolarHBondContact O-NE 3.35Å; G164-R262 VanDerWaalsContact O-NE 3.15Å; K260-R262 PolarHBondContact O-N 3.19Å; R262-M264 PolarHBondContact O-N 3.25Å
263I95.8Very high89.8Confident8 Ų844.2 Ų44.24%0.04124%0.236CC..EExtended strand (participates in β ladder)trans-65.4130.3172.9-61.8172.6000108.8I157 L158 A272 L275 R276I157-I263 CarbonylContact O-C 3.52Å; I157-I263 WeakPolarHBondContact O-CA 3.43Å; L158-I263 HydrophobicContact CD2-CB 4.41Å; L158-I263 HydrophobicContact CD2-CG1 3.49Å; L158-I263 VanDerWaalsContact CD2-CG1 3.49Å; I263-A272 HydrophobicContact CD1-CB 3.69Å; I263-A272 WeakPolarHBondContact CD1-O 3.37Å; I263-L275 HydrophobicContact CD1-CD2 4.2Å; I263-L275 HydrophobicContact CG1-CD2 4.37Å; I263-R276 HydrophobicContact CD1-CG 4.45Å
264M95.5Very high90.3Very high0 Ų042.7 Ų42.70%023%0.234CC..SBendtrans-83.9132175.8-67.2-61.5144.700111.5E124 I127 V128 R131 I157 L163 R262E124-M264 HydrophobicContact CB-SD 3.77Å; E124-M264 HydrophobicContact CG-SD 3.68Å; I127-M264 HydrophobicContact CG2-CB 4.35Å; I127-M264 HydrophobicContact CG2-CG 4.43Å; V128-M264 HydrophobicContact CG2-CB 4.21Å; R131-M264 PolarHBondContact NH1-O 3.27Å; I157-M264 HydrophobicContact CB-CB 4.38Å; I157-M264 HydrophobicContact CG2-CG 4.32Å; I157-M264 PolarHBondContact O-N 3.42Å; L163-M264 HydrophobicContact CD1-CE 3.96Å; L163-M264 HydrophobicContact CD1-SD 4.37Å; L163-M264 HydrophobicContact CD2-CE 3.91Å; L163-M264 HydrophobicContact CG-CE 3.54Å; L163-M264 HydrophobicContact CG-SD 4.44Å; R262-M264 PolarHBondContact O-N 3.25Å
265G92.3Very high90.5Very high24 Ų2442.3 Ų42.325%0.24723%0.232CC..SBendtrans85.8-141.7-178.800000112.6E124 V128 S267E124-G265 PolarHBondContact OE1-N 2.92Å; V128-G265 VanDerWaalsContact CG2-CA 3.45Å; G265-S267 PolarHBondContact O-N 3.17Å; G265-S267 VanDerWaalsContact O-N 3.15Å
266D84.1Confident90.5Very high113 Ų11344.3 Ų44.360%0.60424%0.24SC*.  trans-64.5117.7-179.6-177.115.6000111E268D266-E268 PolarHBondContact OD1-N 3.32Å
267S79.1Confident90.4Very high44 Ų4445.4 Ų45.431%0.30826%0.257SS..  trans-105.2-0.3179.971.20000112.5G265 A272 R276G265-S267 PolarHBondContact O-N 3.17Å; G265-S267 VanDerWaalsContact O-N 3.15Å; S267-A272 WeakPolarHBondContact O-CB 3.39Å; S267-R276 PolarHBondContact O-NH1 3.24Å; S267-R276 PolarHBondContact O-NH2 3.09Å
268E80.2Confident90.3Very high162 Ų16245.8 Ų45.876%0.75726%0.256SS*.SBendtrans-94.6-10.3-174.7-63.1-166.9167.400114.3D266 N273D266-E268 PolarHBondContact OD1-N 3.32Å; E268-N273 PolarHBondContact O-ND2 3.35Å
269G84.5Confident90Very high29 Ų2946 Ų4630%0.29926%0.257SS..SBendtrans-63.4162.8-18000000115.7Y271 A272 N273G269-Y271 PolarHBondContact O-N 3.25Å; G269-A272 WeakPolarHBondContact O-CB 3.26Å; G269-A272 PolarHBondContact O-N 3.17Å; G269-A272 VanDerWaalsContact O-N 3.1Å; G269-N273 PolarHBondContact O-N 3.44Å; G269-N273 PolarHBondContact O-ND2 3.06Å
270V88.5Confident89.8Confident116 Ų11651.8 Ų51.870%0.70328%0.278SS*.Hα-helixtrans-53.9-54.1-179.1179.10000111.6A272 N273 E274V270-A272 VanDerWaalsContact C-N 3.27Å; V270-A272 PolarHBondContact O-N 3.2Å; V270-N273 WeakPolarHBondContact O-CB 3.23Å; V270-N273 PolarHBondContact O-N 2.8Å; V270-N273 VanDerWaalsContact O-N 3.15Å; V270-E274 PolarHBondContact O-N 3.34Å
271Y91.2Very high89.4Confident42 Ų4255.8 Ų55.817%0.16531%0.305CS..Hα-helixtrans-64.6-29.5179-55.4-55.8000113.3Q153 P154 P181 F239 G269 L275Q153-Y271 PolarHBondContact NE2-OH 3.09Å; P154-Y271 HydrophobicContact CG-CD2 3.7Å; P154-Y271 HydrophobicContact CG-CE2 4.21Å; P181-Y271 HydrophobicContact CB-CD1 3.41Å; P181-Y271 VanDerWaalsContact CB-CD1 3.41Å; P181-Y271 HydrophobicContact CB-CE1 3.69Å; P181-Y271 HydrophobicContact CB-CG 3.94Å; P181-Y271 HydrophobicContact CG-CD1 3.45Å; P181-Y271 VanDerWaalsContact CG-CD1 3.45Å; P181-Y271 HydrophobicContact CG-CD2 3.82Å; P181-Y271 HydrophobicContact CG-CE1 3.87Å; P181-Y271 HydrophobicContact CG-CE2 4.21Å; P181-Y271 HydrophobicContact CG-CG 3.41Å; P181-Y271 VanDerWaalsContact CG-CG 3.41Å; F239-Y271 WeakPolarHBondContact CE2-O 3.35Å; F239-Y271 WeakPolarHBondContact CZ-O 3.4Å; G269-Y271 PolarHBondContact O-N 3.25Å; Y271-L275 WeakPolarHBondContact O-CB 3.45Å; Y271-L275 PolarHBondContact O-N 3.16Å
272A91.5Very high89.1Confident4 Ų455.8 Ų55.83%0.03330%0.302CS..Hα-helixtrans-71.3-36.8176.100000111.7I263 S267 G269 V270 R276I263-A272 HydrophobicContact CD1-CB 3.69Å; I263-A272 WeakPolarHBondContact CD1-O 3.37Å; S267-A272 WeakPolarHBondContact O-CB 3.39Å; G269-A272 WeakPolarHBondContact O-CB 3.26Å; G269-A272 PolarHBondContact O-N 3.17Å; G269-A272 VanDerWaalsContact O-N 3.1Å; V270-A272 VanDerWaalsContact C-N 3.27Å; V270-A272 PolarHBondContact O-N 3.2Å; A272-R276 WeakPolarHBondContact O-CG 3.29Å; A272-R276 PolarHBondContact O-N 3.05Å; A272-R276 PolarHBondContact O-NH1 3.06Å
273N91.1Very high88.8Confident79 Ų7953.9 Ų53.942%0.42230%0.295SS..Hα-helixtrans-67.6-43172.3-76-58.5000111.7E268 G269 V270 R276 A277E268-N273 PolarHBondContact O-ND2 3.35Å; G269-N273 PolarHBondContact O-N 3.44Å; G269-N273 PolarHBondContact O-ND2 3.06Å; V270-N273 WeakPolarHBondContact O-CB 3.23Å; V270-N273 PolarHBondContact O-N 2.8Å; V270-N273 VanDerWaalsContact O-N 3.15Å; N273-R276 PolarHBondContact O-N 3.04Å; N273-R276 PolarHBondContact OD1-NH2 3.44Å; N273-A277 WeakPolarHBondContact O-CB 3.3Å; N273-A277 PolarHBondContact O-N 3.23Å
274E92.1Very high88.6Confident85 Ų8554.6 Ų54.640%0.39730%0.298SS..Hα-helixtrans-59.1-50.5177.3-175.1-178173.800111.7F239 V270 R276 A277 M278F239-E274 HydrophobicContact CD2-CG 3.99Å; F239-E274 HydrophobicContact CE2-CB 4.08Å; F239-E274 HydrophobicContact CE2-CG 4.04Å; V270-E274 PolarHBondContact O-N 3.34Å; E274-R276 VanDerWaalsContact C-N 3.3Å; E274-R276 PolarHBondContact O-N 3.1Å; E274-A277 PolarHBondContact O-N 2.79Å; E274-A277 VanDerWaalsContact O-N 3.12Å; E274-M278 WeakPolarHBondContact O-CB 3.49Å; E274-M278 PolarHBondContact O-N 3.44Å
275L92Very high88.2Confident1 Ų157 Ų571%0.00531%0.307CS..Hα-helixtrans-60-39.3177.3-173.461.1000112.3L156 L158 F239 L242 I263 Y271 M278 L279L156-L275 HydrophobicContact CD1-CD2 4.1Å; L158-L275 HydrophobicContact CD1-CD2 4.34Å; L158-L275 HydrophobicContact CD2-CD2 4.06Å; L158-L275 HydrophobicContact CG-CD2 4.28Å; F239-L275 HydrophobicContact CD1-CD1 4.04Å; F239-L275 HydrophobicContact CE1-CB 4.1Å; F239-L275 HydrophobicContact CE1-CD1 3.85Å; F239-L275 HydrophobicContact CE1-CD2 4.14Å; F239-L275 HydrophobicContact CE1-CG 4.25Å; F239-L275 HydrophobicContact CE2-CB 4.1Å; F239-L275 HydrophobicContact CZ-CB 3.68Å; F239-L275 HydrophobicContact CZ-CD1 4.3Å; F239-L275 HydrophobicContact CZ-CD2 4.38Å; F239-L275 HydrophobicContact CZ-CG 4.33Å; L242-L275 HydrophobicContact CD1-CD1 4.34Å; L242-L275 HydrophobicContact CD2-CD1 4.09Å; I263-L275 HydrophobicContact CD1-CD2 4.2Å; I263-L275 HydrophobicContact CG1-CD2 4.37Å; Y271-L275 WeakPolarHBondContact O-CB 3.45Å; Y271-L275 PolarHBondContact O-N 3.16Å; L275-M278 HydrophobicContact CD1-SD 4.34Å; L275-L279 HydrophobicContact CD1-CD1 4.11Å; L275-L279 HydrophobicContact CD1-CG 4.37Å; L275-L279 HydrophobicContact CG-CD1 4.04Å; L275-L279 WeakPolarHBondContact O-CB 3.46Å; L275-L279 VanDerWaalsContact O-CG 3.3Å; L275-L279 WeakPolarHBondContact O-CG 3.14Å; L275-L279 PolarHBondContact O-N 3.03Å
276R90Very high87.7Confident80 Ų8064.7 Ų64.730%0.30233%0.329SS..Hα-helixtrans-66.1-43174.8-80.2-167.9-62.6-87.210.2112.4I263 S267 A272 N273 E274 M278 L279 R280I263-R276 HydrophobicContact CD1-CG 4.45Å; S267-R276 PolarHBondContact O-NH1 3.24Å; S267-R276 PolarHBondContact O-NH2 3.09Å; A272-R276 WeakPolarHBondContact O-CG 3.29Å; A272-R276 PolarHBondContact O-N 3.05Å; A272-R276 PolarHBondContact O-NH1 3.06Å; N273-R276 PolarHBondContact O-N 3.04Å; N273-R276 PolarHBondContact OD1-NH2 3.44Å; E274-R276 VanDerWaalsContact C-N 3.3Å; E274-R276 PolarHBondContact O-N 3.1Å; R276-M278 VanDerWaalsContact C-N 3.29Å; R276-M278 PolarHBondContact O-N 3.35Å; R276-L279 PolarHBondContact O-N 3.18Å; R276-R280 WeakPolarHBondContact O-CB 3.36Å; R276-R280 PolarHBondContact O-N 3.39Å
277A88.9Confident87.4Confident65 Ų6566.7 Ų66.754%0.53733%0.329SS..Hα-helixtrans-62.7-39.9179.800000110.9N273 E274 P281N273-A277 WeakPolarHBondContact O-CB 3.3Å; N273-A277 PolarHBondContact O-N 3.23Å; E274-A277 PolarHBondContact O-N 2.79Å; E274-A277 VanDerWaalsContact O-N 3.12Å; A277-P281 WeakPolarHBondContact O-CD 3.19Å
278M88.1Confident87.5Confident29 Ų2966.9 Ų66.914%0.14333%0.326CS..Hα-helixtrans-65.5-46.2175.4-179.2-155.9-68.900112.6F239 L242 E243 E274 L275 R276 P281F239-M278 HydrophobicContact CB-CE 3.61Å; F239-M278 HydrophobicContact CD2-CE 4.24Å; F239-M278 HydrophobicContact CG-CE 3.99Å; F239-M278 VanDerWaalsContact O-CE 3.31Å; F239-M278 WeakPolarHBondContact O-CE 3.15Å; L242-M278 HydrophobicContact CD2-SD 3.74Å; E243-M278 HydrophobicContact CB-CE 3.99Å; E243-M278 HydrophobicContact CB-CG 3.88Å; E243-M278 HydrophobicContact CB-SD 3.66Å; E243-M278 HydrophobicContact CG-CG 3.84Å; E243-M278 HydrophobicContact CG-SD 4.31Å; E274-M278 WeakPolarHBondContact O-CB 3.49Å; E274-M278 PolarHBondContact O-N 3.44Å; L275-M278 HydrophobicContact CD1-SD 4.34Å; R276-M278 VanDerWaalsContact C-N 3.29Å; R276-M278 PolarHBondContact O-N 3.35Å; M278-P281 WeakPolarHBondContact O-CD 3.38Å
279L87.8Confident87.3Confident16 Ų1662 Ų628%0.08431%0.305CS..Hα-helixtrans-76.1-26.1-176.4-71.1175.7000113.8L158 L242 Y246 M258 L275 R276 F282 V283L158-L279 HydrophobicContact CD1-CD1 3.98Å; L242-L279 HydrophobicContact CD2-CD2 3.68Å; L242-L279 HydrophobicContact CD2-CG 4.36Å; Y246-L279 HydrophobicContact CD2-CD2 3.67Å; Y246-L279 HydrophobicContact CE2-CD2 3.79Å; M258-L279 HydrophobicContact CE-CD1 3.46Å; M258-L279 VanDerWaalsContact CE-CD1 3.46Å; M258-L279 HydrophobicContact CE-CD2 3.65Å; M258-L279 HydrophobicContact CE-CG 4.09Å; L275-L279 HydrophobicContact CD1-CD1 4.11Å; L275-L279 HydrophobicContact CD1-CG 4.37Å; L275-L279 HydrophobicContact CG-CD1 4.04Å; L275-L279 WeakPolarHBondContact O-CB 3.46Å; L275-L279 VanDerWaalsContact O-CG 3.3Å; L275-L279 WeakPolarHBondContact O-CG 3.14Å; L275-L279 PolarHBondContact O-N 3.03Å; R276-L279 PolarHBondContact O-N 3.18Å; L279-F282 WeakPolarHBondContact O-CB 3.48Å; L279-F282 PolarHBondContact O-N 3.13Å; L279-V283 WeakPolarHBondContact O-CG2 3.44Å; L279-V283 PolarHBondContact O-N 2.84Å; L279-V283 VanDerWaalsContact O-N 3.12Å
280R89Confident86.5Confident123 Ų12362 Ų6246%0.46430%0.297SS..Hα-helixtrans-61.6-47.2-172.8-178-177.4-165.2-164.70.9113.7R276 F282 V283 F284 Q345R276-R280 WeakPolarHBondContact O-CB 3.36Å; R276-R280 PolarHBondContact O-N 3.39Å; R280-F282 VanDerWaalsContact C-N 3.27Å; R280-F282 PolarHBondContact O-N 2.86Å; R280-V283 PolarHBondContact O-N 2.9Å; R280-F284 HydrophobicContact CG-CD2 4.37Å; R280-F284 PolarHBondContact O-N 3.37Å; R280-Q345 VanDerWaalsContact CZ-OE1 3.31Å
281P86.9Confident85.6Confident89 Ų8958.1 Ų58.158%0.57828%0.275SS*.Hα-helixtrans-62.5-32.5176.5-23.233.4000113.3A277 M278A277-P281 WeakPolarHBondContact O-CD 3.19Å; M278-P281 WeakPolarHBondContact O-CD 3.38Å
282F88.1Confident85Confident18 Ų1856.2 Ų56.28%0.07927%0.267CS..Hα-helixtrans-66.3-47.7176.9171.7-109.9000111.7Y246 E254 R255 M258 L279 R280Y246-F282 AromaticContact CD1-CD1 3.92Å; Y246-F282 HydrophobicContact CD1-CD1 3.92Å; Y246-F282 AromaticContact CD1-CE1 3.41Å; Y246-F282 HydrophobicContact CD1-CE1 3.41Å; Y246-F282 VanDerWaalsContact CD1-CE1 3.41Å; Y246-F282 HydrophobicContact CD1-CE2 4.16Å; Y246-F282 HydrophobicContact CD1-CG 4.48Å; Y246-F282 AromaticContact CD1-CZ 3.55Å; Y246-F282 HydrophobicContact CD1-CZ 3.55Å; Y246-F282 AromaticContact CE1-CE1 3.93Å; Y246-F282 HydrophobicContact CE1-CE1 3.93Å; Y246-F282 HydrophobicContact CE1-CZ 4.29Å; Y246-F282 HydrophobicContact CG-CD1 4.03Å; Y246-F282 HydrophobicContact CG-CE1 4Å; Y246-F282 HydrophobicContact CG-CG 4.32Å; Y246-F282 HydrophobicContact CG-CZ 4.29Å; Y246-F282 VanDerWaalsContact O-CD2 3.24Å; Y246-F282 WeakPolarHBondContact O-CD2 3.43Å; Y246-F282 VanDerWaalsContact O-CE2 3.32Å; Y246-F282 WeakPolarHBondContact O-CE2 3.37Å; E254-F282 HydrophobicContact CB-CE1 4.37Å; E254-F282 HydrophobicContact CB-CZ 4.01Å; R255-F282 HydrophobicContact CB-CE1 4.46Å; R255-F282 HydrophobicContact CB-CZ 4.41Å; R255-F282 WeakPolarHBondContact CD-O 3.27Å; R255-F282 HydrophobicContact CG-CD1 4.29Å; R255-F282 HydrophobicContact CG-CD2 4.21Å; R255-F282 HydrophobicContact CG-CE1 3.78Å; R255-F282 HydrophobicContact CG-CE2 3.67Å; R255-F282 HydrophobicContact CG-CG 4.49Å; R255-F282 HydrophobicContact CG-CZ 3.44Å; R255-F282 VanDerWaalsContact CG-CZ 3.44Å; R255-F282 WeakPolarHBondContact CG-O 3.36Å; R255-F282 PolarHBondContact NE-O 2.93Å; M258-F282 HydrophobicContact CB-CE1 4.43Å; M258-F282 HydrophobicContact CG-CD1 4.46Å; M258-F282 HydrophobicContact CG-CE1 4.03Å; L279-F282 WeakPolarHBondContact O-CB 3.48Å; L279-F282 PolarHBondContact O-N 3.13Å; R280-F282 VanDerWaalsContact C-N 3.27Å; R280-F282 PolarHBondContact O-N 2.86Å
283V89Confident84.6Confident5 Ų557.6 Ų57.63%0.0327%0.274CS..Hα-helixtrans-75.7-49.5-177.4-176.80000112M258 V259 L279 R280M258-V283 HydrophobicContact CB-CG2 3.45Å; M258-V283 VanDerWaalsContact CB-CG2 3.45Å; V259-V283 HydrophobicContact CB-CG1 4.45Å; V259-V283 HydrophobicContact CG2-CG1 3.72Å; L279-V283 WeakPolarHBondContact O-CG2 3.44Å; L279-V283 PolarHBondContact O-N 2.84Å; L279-V283 VanDerWaalsContact O-N 3.12Å; R280-V283 PolarHBondContact O-N 2.9Å
284F91.2Very high84Confident23 Ų2354.6 Ų54.610%0.10126%0.257CS..SBendtrans-112.477.9-169-60.2-66.2000111.5R280 R286 Q334 G339 Q345R280-F284 HydrophobicContact CG-CD2 4.37Å; R280-F284 PolarHBondContact O-N 3.37Å; F284-R286 PolarHBondContact O-N 3.42Å; F284-Q334 HydrophobicContact CE1-CB 4.29Å; F284-G339 WeakPolarHBondContact O-CA 3.41Å; F284-Q345 HydrophobicContact CD1-CG 4.04Å; F284-Q345 HydrophobicContact CD2-CB 4.25Å; F284-Q345 HydrophobicContact CD2-CG 3.78Å; F284-Q345 HydrophobicContact CE1-CB 4.34Å; F284-Q345 HydrophobicContact CE1-CG 4.05Å; F284-Q345 HydrophobicContact CE2-CB 3.76Å; F284-Q345 HydrophobicContact CE2-CG 3.79Å; F284-Q345 HydrophobicContact CG-CG 3.91Å; F284-Q345 HydrophobicContact CZ-CB 3.82Å; F284-Q345 HydrophobicContact CZ-CG 3.93Å
285R86.2Confident83.4Confident49 Ų4951.8 Ų51.819%0.18525%0.247CC..  trans-59.9131177-70.9177.2-76.9-145.3-13111.5D252 Y287 I288 V292 G339D252-R285 IonicContact OD1-CZ 2.73Å; D252-R285 IonicContact OD1-NH1 3.47Å; D252-R285 PolarHBondContact OD1-NH1 3.49Å; D252-R285 IonicContact OD1-NH2 3.64Å; D252-R285 PolarHBondContact OD1-NH2 3.5Å; R285-Y287 VanDerWaalsContact C-N 3.33Å; R285-I288 HydrophobicContact CB-CD1 3.74Å; R285-V292 VanDerWaalsContact NH1-CG2 3.26Å; R285-G339 WeakPolarHBondContact O-CA 3.36Å
286R81.5Confident83.3Confident187 Ų18751.9 Ų51.971%0.70625%0.247SC*.SBendtrans-71.7-29.6174.3-72.3-174.9175.3-179.70.3113.1F284 R340F284-R286 PolarHBondContact O-N 3.42Å; R286-R340 PolarHBondContact O-NE 2.94Å; R286-R340 VanDerWaalsContact O-NE 3.12Å
287Y79.1Confident83Confident155 Ų15550.6 Ų50.661%0.60824%0.243SC*.  trans-113.6119.5178-56.9-85.6000108.3R285R285-Y287 VanDerWaalsContact C-N 3.33Å
288I79.8Confident82.7Confident47 Ų4751.1 Ų51.124%0.24124%0.237CC..  trans-110.1110.8174.6-59.2-60.6000105.1R285 V292 I293 L335 I336R285-I288 HydrophobicContact CB-CD1 3.74Å; I288-V292 HydrophobicContact CD1-CG1 4.07Å; I288-V292 HydrophobicContact CD1-CG2 4.46Å; I288-V292 HydrophobicContact CG2-CB 3.81Å; I288-V292 HydrophobicContact CG2-CG1 3.91Å; I288-V292 HydrophobicContact CG2-CG2 4.33Å; I288-I293 HydrophobicContact CG2-CD1 3.79Å; I288-I293 HydrophobicContact CG2-CG1 4.15Å; I288-L335 VanDerWaalsContact CD1-O 3.31Å; I288-L335 WeakPolarHBondContact CD1-O 3.45Å; I288-I336 VanDerWaalsContact CG1-O 3.29Å; I288-I336 WeakPolarHBondContact CG1-O 3.29Å
289D76.1Confident82.5Confident61 Ų6150.7 Ų50.733%0.32623%0.234SC..  trans-92.2177.5170.356.940.7000109.8S291 V292 T540D289-S291 PolarHBondContact O-N 2.95Å; D289-S291 WeakPolarHBondContact OD1-CA 3.28Å; D289-S291 WeakPolarHBondContact OD1-CB 3.49Å; D289-S291 PolarHBondContact OD1-N 3.46Å; D289-S291 PolarHBondContact OD1-OG 3.3Å; D289-V292 WeakPolarHBondContact O-CB 3.44Å; D289-V292 PolarHBondContact O-N 2.84Å; D289-V292 WeakPolarHBondContact OD1-CG2 3.24Å; D289-V292 PolarHBondContact OD1-N 3.46Å; D289-T540 HydrophobicContact CB-CG2 4.46Å; D289-T540 WeakPolarHBondContact OD2-CG2 3.37Å
290F68.4Low82.6Confident29 Ų2950.4 Ų50.413%0.12723%0.233CC..Hα-helixtrans-60.8-34.1179.3-176.9-94000113.2V292 I293 Q294 E543 E547F290-V292 PolarHBondContact O-N 3.31Å; F290-V292 VanDerWaalsContact O-N 3.13Å; F290-I293 PolarHBondContact O-N 3.49Å; F290-Q294 HydrophobicContact CD1-CB 4.23Å; F290-Q294 HydrophobicContact CE1-CB 3.67Å; F290-Q294 HydrophobicContact CE1-CG 4.14Å; F290-Q294 HydrophobicContact CZ-CB 4.08Å; F290-Q294 VanDerWaalsContact CZ-OE1 3.3Å; F290-Q294 PolarHBondContact O-N 3.46Å; F290-E543 HydrophobicContact CD1-CB 4.07Å; F290-E543 HydrophobicContact CD1-CG 4.45Å; F290-E547 HydrophobicContact CD1-CG 3.44Å; F290-E547 VanDerWaalsContact CD1-CG 3.44Å; F290-E547 HydrophobicContact CD2-CB 4.13Å; F290-E547 HydrophobicContact CD2-CG 3.63Å; F290-E547 HydrophobicContact CE1-CG 3.32Å; F290-E547 WeakPolarHBondContact CE1-OE1 3.31Å; F290-E547 HydrophobicContact CE2-CB 4.23Å; F290-E547 HydrophobicContact CE2-CG 3.54Å; F290-E547 WeakPolarHBondContact CE2-OE2 3.44Å; F290-E547 HydrophobicContact CG-CB 4.33Å; F290-E547 HydrophobicContact CG-CG 3.58Å; F290-E547 HydrophobicContact CZ-CG 3.41Å; F290-E547 VanDerWaalsContact CZ-CG 3.41Å; F290-E547 WeakPolarHBondContact CZ-OE1 3.33Å; F290-E547 WeakPolarHBondContact CZ-OE2 3.48Å
291S69.2Low82.4Confident34 Ų3445.5 Ų45.524%0.23822%0.22CC..Hα-helixtrans-52.8-39.4178.588.90000111.7D289 S295 E543D289-S291 PolarHBondContact O-N 2.95Å; D289-S291 WeakPolarHBondContact OD1-CA 3.28Å; D289-S291 WeakPolarHBondContact OD1-CB 3.49Å; D289-S291 PolarHBondContact OD1-N 3.46Å; D289-S291 PolarHBondContact OD1-OG 3.3Å; S291-S295 WeakPolarHBondContact O-CB 3.42Å; S291-S295 PolarHBondContact O-N 3.46Å; S291-E543 VanDerWaalsContact CA-OE2 3.29Å; S291-E543 WeakPolarHBondContact CA-OE2 3.47Å; S291-E543 WeakPolarHBondContact CB-OE2 3.48Å; S291-E543 PolarHBondContact N-OE2 3.09Å
292V79.3Confident82.1Confident1 Ų146.1 Ų46.11%0.00622%0.216CC..Hα-helixtrans-67.4-48.2178.3-179.30000110.9R285 I288 D289 F290 Q294 S295 L296R285-V292 VanDerWaalsContact NH1-CG2 3.26Å; I288-V292 HydrophobicContact CD1-CG1 4.07Å; I288-V292 HydrophobicContact CD1-CG2 4.46Å; I288-V292 HydrophobicContact CG2-CB 3.81Å; I288-V292 HydrophobicContact CG2-CG1 3.91Å; I288-V292 HydrophobicContact CG2-CG2 4.33Å; D289-V292 WeakPolarHBondContact O-CB 3.44Å; D289-V292 PolarHBondContact O-N 2.84Å; D289-V292 WeakPolarHBondContact OD1-CG2 3.24Å; D289-V292 PolarHBondContact OD1-N 3.46Å; F290-V292 PolarHBondContact O-N 3.31Å; F290-V292 VanDerWaalsContact O-N 3.13Å; V292-Q294 VanDerWaalsContact C-N 3.32Å; V292-Q294 PolarHBondContact O-N 2.95Å; V292-S295 WeakPolarHBondContact O-CB 3.44Å; V292-S295 PolarHBondContact O-N 2.88Å; V292-L296 HydrophobicContact CG1-CD1 4.28Å; V292-L296 WeakPolarHBondContact O-CG 3.32Å; V292-L296 PolarHBondContact O-N 3.33Å
293I82.8Confident81.8Confident33 Ų3346 Ų4617%0.16922%0.216CC..Hα-helixtrans-61.3-44.2179.7-57.5-57.9000110I288 F290 S295 L296 R297 I336I288-I293 HydrophobicContact CG2-CD1 3.79Å; I288-I293 HydrophobicContact CG2-CG1 4.15Å; F290-I293 PolarHBondContact O-N 3.49Å; I293-S295 VanDerWaalsContact C-N 3.35Å; I293-S295 PolarHBondContact O-N 2.95Å; I293-L296 WeakPolarHBondContact O-CB 3.2Å; I293-L296 PolarHBondContact O-N 3.08Å; I293-L296 VanDerWaalsContact O-N 3.14Å; I293-R297 PolarHBondContact O-N 3.28Å; I293-I336 HydrophobicContact CD1-CD1 3.72Å; I293-I336 HydrophobicContact CD1-CG1 3.77Å; I293-I336 HydrophobicContact CD1-CG2 4.31Å
294Q78.8Confident81.5Confident17 Ų1746.7 Ų46.78%0.07922%0.223CC..Hα-helixtrans-65.2-37.8177.9-166.758.732.400112.5F290 V292 L296 R297 N298 D439F290-Q294 HydrophobicContact CD1-CB 4.23Å; F290-Q294 HydrophobicContact CE1-CB 3.67Å; F290-Q294 HydrophobicContact CE1-CG 4.14Å; F290-Q294 HydrophobicContact CZ-CB 4.08Å; F290-Q294 VanDerWaalsContact CZ-OE1 3.3Å; F290-Q294 PolarHBondContact O-N 3.46Å; V292-Q294 VanDerWaalsContact C-N 3.32Å; V292-Q294 PolarHBondContact O-N 2.95Å; Q294-L296 VanDerWaalsContact C-N 3.3Å; Q294-L296 PolarHBondContact O-N 2.88Å; Q294-R297 PolarHBondContact O-N 3.47Å; Q294-N298 WeakPolarHBondContact O-CB 3.36Å; Q294-N298 PolarHBondContact O-N 3.1Å; Q294-N298 PolarHBondContact O-ND2 3Å; Q294-D439 PolarHBondContact NE2-OD2 3.45Å; Q294-D439 PolarHBondContact OE1-OD2 2.7Å
295S80.3Confident80.9Confident26 Ų2652.1 Ų52.118%0.18224%0.243CC..Hα-helixtrans-60.3-40.9172.7-179.10000112D252 S291 V292 I293 N298 M299D252-S295 WeakPolarHBondContact CB-OG 3.43Å; D252-S295 VanDerWaalsContact CG-OG 3.23Å; D252-S295 WeakPolarHBondContact OD2-CB 3.49Å; D252-S295 PolarHBondContact OD2-OG 3.05Å; S291-S295 WeakPolarHBondContact O-CB 3.42Å; S291-S295 PolarHBondContact O-N 3.46Å; V292-S295 WeakPolarHBondContact O-CB 3.44Å; V292-S295 PolarHBondContact O-N 2.88Å; I293-S295 VanDerWaalsContact C-N 3.35Å; I293-S295 PolarHBondContact O-N 2.95Å; S295-N298 PolarHBondContact O-N 3.31Å; S295-M299 WeakPolarHBondContact O-CB 3.37Å; S295-M299 PolarHBondContact O-N 2.76Å
296L88Confident80.3Confident2 Ų251.8 Ų51.81%0.0124%0.243CC..Hα-helixtrans-66.2-40.5174.2-62171.2000111.7V292 I293 Q294 M299 K300 V332 L335 I336 I436V292-L296 HydrophobicContact CG1-CD1 4.28Å; V292-L296 WeakPolarHBondContact O-CG 3.32Å; V292-L296 PolarHBondContact O-N 3.33Å; I293-L296 WeakPolarHBondContact O-CB 3.2Å; I293-L296 PolarHBondContact O-N 3.08Å; I293-L296 VanDerWaalsContact O-N 3.14Å; Q294-L296 VanDerWaalsContact C-N 3.3Å; Q294-L296 PolarHBondContact O-N 2.88Å; L296-M299 PolarHBondContact O-N 2.69Å; L296-K300 PolarHBondContact O-N 2.98Å; L296-V332 HydrophobicContact CD1-CG1 4.35Å; L296-V332 HydrophobicContact CD2-CG2 4.29Å; L296-L335 HydrophobicContact CD1-CB 4.48Å; L296-L335 HydrophobicContact CD2-CB 4.46Å; L296-L335 HydrophobicContact CD2-CD1 3.68Å; L296-I336 HydrophobicContact CD1-CD1 3.85Å; L296-I336 HydrophobicContact CD1-CG1 3.55Å; L296-I436 VanDerWaalsContact C-CD1 3.47Å; L296-I436 HydrophobicContact CB-CD1 3.8Å
297R85.2Confident80.1Confident53 Ų5343.6 Ų43.620%0.221%0.214CC..Hα-helixtrans-61.9-43172.8-70.8-174.9-170.71486.4111.9I293 Q294 M299 K300 G301 I436 D439I293-R297 PolarHBondContact O-N 3.28Å; Q294-R297 PolarHBondContact O-N 3.47Å; R297-M299 VanDerWaalsContact C-N 3.3Å; R297-M299 PolarHBondContact O-N 2.7Å; R297-K300 WeakPolarHBondContact O-CB 3.5Å; R297-K300 PolarHBondContact O-N 3.43Å; R297-G301 PolarHBondContact O-N 3.15Å; R297-I436 HydrophobicContact CB-CD1 4.34Å; R297-I436 HydrophobicContact CG-CD1 3.79Å; R297-I436 HydrophobicContact CG-CG1 4.1Å; R297-I436 PolarHBondContact NE-O 2.97Å; R297-D439 WeakPolarHBondContact CD-OD1 3.46Å; R297-D439 IonicContact CZ-OD1 3.79Å; R297-D439 IonicContact NE-OD1 3.84Å; R297-D439 IonicContact NH1-OD1 2.98Å; R297-D439 PolarHBondContact NH1-OD1 3.45Å
298N82Confident79.9Confident77 Ų7744.5 Ų44.541%0.41222%0.216SC..Hα-helixtrans-60.7-41.3175.2-70.7-26.3000111.3Q294 S295 G301 M302Q294-N298 WeakPolarHBondContact O-CB 3.36Å; Q294-N298 PolarHBondContact O-N 3.1Å; Q294-N298 PolarHBondContact O-ND2 3Å; S295-N298 PolarHBondContact O-N 3.31Å; N298-G301 PolarHBondContact O-N 3.4Å; N298-M302 WeakPolarHBondContact O-CG 3.4Å; N298-M302 PolarHBondContact O-N 3.39Å
299M85.1Confident79.6Confident20 Ų2051.2 Ų51.210%0.09924%0.238CC..Hα-helixtrans-66.1-43.3176.2-161.4-179.6-59.300112.1W253 Y256 S295 L296 R297 G301 M302 I303 F328W253-M299 HydrophobicContact CB-CE 4Å; Y256-M299 HydrophobicContact CD2-SD 4.05Å; Y256-M299 HydrophobicContact CG-SD 4.07Å; S295-M299 WeakPolarHBondContact O-CB 3.37Å; S295-M299 PolarHBondContact O-N 2.76Å; L296-M299 PolarHBondContact O-N 2.69Å; R297-M299 VanDerWaalsContact C-N 3.3Å; R297-M299 PolarHBondContact O-N 2.7Å; M299-G301 VanDerWaalsContact C-N 3.32Å; M299-G301 PolarHBondContact O-N 3.46Å; M299-M302 HydrophobicContact CB-CE 4.26Å; M299-M302 HydrophobicContact CG-CE 4.12Å; M299-M302 WeakPolarHBondContact O-CB 3.39Å; M299-M302 PolarHBondContact O-N 3.1Å; M299-I303 PolarHBondContact O-N 3.46Å; M299-I303 VanDerWaalsContact O-N 3.1Å; M299-F328 HydrophobicContact CB-CE2 3.89Å; M299-F328 HydrophobicContact CB-CZ 4.15Å; M299-F328 HydrophobicContact CG-CE2 3.68Å; M299-F328 HydrophobicContact CG-CZ 4.41Å; M299-F328 HydrophobicContact SD-CD2 4.4Å; M299-F328 HydrophobicContact SD-CE2 3.73Å
300K89Confident79.3Confident10 Ų1054.3 Ų54.34%0.04325%0.245CC..Hα-helixtrans-54.7-48.9170.8-178.2-171.6173.3-172.90110.6L296 R297 M302 I303 A304 F328 F432 N433 L435 I436 D438L296-K300 PolarHBondContact O-N 2.98Å; R297-K300 WeakPolarHBondContact O-CB 3.5Å; R297-K300 PolarHBondContact O-N 3.43Å; K300-M302 PolarHBondContact O-N 3.49Å; K300-I303 PolarHBondContact O-N 3.05Å; K300-A304 PolarHBondContact O-N 2.81Å; K300-F328 HydrophobicContact CB-CE1 3.65Å; K300-F328 HydrophobicContact CB-CZ 3.8Å; K300-F328 HydrophobicContact CG-CE1 4.12Å; K300-F432 HydrophobicContact CB-CZ 4.48Å; K300-F432 WeakPolarHBondContact CE-O 3.43Å; K300-F432 HydrophobicContact CG-CE1 3.83Å; K300-F432 HydrophobicContact CG-CE2 4.39Å; K300-F432 HydrophobicContact CG-CZ 3.66Å; K300-N433 PolarHBondContact NZ-O 3.23Å; K300-L435 PolarHBondContact NZ-O 3.33Å; K300-I436 HydrophobicContact CB-CD1 4.39Å; K300-I436 HydrophobicContact CD-CD1 4.3Å; K300-I436 HydrophobicContact CD-CG1 4.07Å; K300-D438 WeakPolarHBondContact CE-OD1 3.26Å; K300-D438 IonicContact NZ-OD1 2.74Å; K300-D438 PolarHBondContact NZ-OD1 3.39Å
301G84.4Confident79.4Confident19 Ų1955.5 Ų55.520%0.19627%0.266CS..Hα-helixtrans-61.9-37.517800000113.6R297 N298 M299 A304 R305R297-G301 PolarHBondContact O-N 3.15Å; N298-G301 PolarHBondContact O-N 3.4Å; M299-G301 VanDerWaalsContact C-N 3.32Å; M299-G301 PolarHBondContact O-N 3.46Å; G301-A304 PolarHBondContact O-N 2.93Å; G301-R305 WeakPolarHBondContact O-CB 3.49Å; G301-R305 WeakPolarHBondContact O-CG 3.36Å; G301-R305 PolarHBondContact O-N 3.17Å
302M80.7Confident79.4Confident102 Ų10256.7 Ų56.750%0.50227%0.269SS..Hα-helixtrans-62.9-46173.9-74.2-169.5-64.700111.9N298 M299 K300 R305 E306N298-M302 WeakPolarHBondContact O-CG 3.4Å; N298-M302 PolarHBondContact O-N 3.39Å; M299-M302 HydrophobicContact CB-CE 4.26Å; M299-M302 HydrophobicContact CG-CE 4.12Å; M299-M302 WeakPolarHBondContact O-CB 3.39Å; M299-M302 PolarHBondContact O-N 3.1Å; K300-M302 PolarHBondContact O-N 3.49Å; M302-R305 PolarHBondContact O-N 3.08Å; M302-E306 WeakPolarHBondContact O-CB 3.24Å; M302-E306 PolarHBondContact O-N 3.24Å
303I82Confident79.1Confident16 Ų1662.1 Ų62.18%0.08230%0.303CS..Hα-helixtrans-60.4-49.3176.6-67.3170.5000109.8M299 K300 R305 E306 V307 E325 F328 F432M299-I303 PolarHBondContact O-N 3.46Å; M299-I303 VanDerWaalsContact O-N 3.1Å; K300-I303 PolarHBondContact O-N 3.05Å; I303-R305 PolarHBondContact O-N 2.88Å; I303-E306 PolarHBondContact O-N 2.89Å; I303-V307 HydrophobicContact CG2-CG2 4.49Å; I303-V307 VanDerWaalsContact O-CG2 3.27Å; I303-V307 WeakPolarHBondContact O-CG2 3.36Å; I303-V307 PolarHBondContact O-N 3.01Å; I303-E325 HydrophobicContact CG2-CG 4.3Å; I303-F328 HydrophobicContact CD1-CB 4.03Å; I303-F328 HydrophobicContact CD1-CD1 4.33Å; I303-F328 HydrophobicContact CD1-CD2 3.35Å; I303-F328 HydrophobicContact CD1-CE2 3.84Å; I303-F328 HydrophobicContact CD1-CG 3.63Å; I303-F328 HydrophobicContact CD1-CZ 4.49Å; I303-F432 HydrophobicContact CB-CZ 4.2Å; I303-F432 HydrophobicContact CG2-CE2 4.26Å; I303-F432 HydrophobicContact CG2-CZ 3.92Å
304A82.2Confident79.2Confident20 Ų2064.7 Ų64.717%0.16532%0.317CS..Hα-helixtrans-61.4-41.3179.800000112.9K300 G301 R308 F432K300-A304 PolarHBondContact O-N 2.81Å; G301-A304 PolarHBondContact O-N 2.93Å; A304-R308 WeakPolarHBondContact O-CG 3.43Å; A304-R308 PolarHBondContact O-N 3.31Å; A304-R308 VanDerWaalsContact O-N 3.09Å; A304-F432 HydrophobicContact CB-CE1 4.49Å
305R78.6Confident79.8Confident137 Ų13764.5 Ų64.552%0.51732%0.316SS..Hα-helixtrans-65-40.1174.4-76.7-172.3-61.6-94.11.9112.1G301 M302 I303 R308 R309G301-R305 WeakPolarHBondContact O-CB 3.49Å; G301-R305 WeakPolarHBondContact O-CG 3.36Å; G301-R305 PolarHBondContact O-N 3.17Å; M302-R305 PolarHBondContact O-N 3.08Å; I303-R305 PolarHBondContact O-N 2.88Å; R305-R308 PolarHBondContact O-N 3.42Å; R305-R309 VanDerWaalsContact O-CB 3.24Å; R305-R309 WeakPolarHBondContact O-CB 3.27Å; R305-R309 PolarHBondContact O-N 2.85Å
306E74.4Confident80.4Confident41 Ų4163.3 Ų63.319%0.19231%0.308CS..Hα-helixtrans-64.9-43.3178.2-171.5-178.4-176.300111.9M302 I303 R309 R310 R324M302-E306 WeakPolarHBondContact O-CB 3.24Å; M302-E306 PolarHBondContact O-N 3.24Å; I303-E306 PolarHBondContact O-N 2.89Å; E306-R309 PolarHBondContact O-N 3.4Å; E306-R310 HydrophobicContact CG-CG 4.36Å; E306-R310 PolarHBondContact O-N 3.12Å; E306-R310 IonicContact OE1-CZ 3.59Å; E306-R310 IonicContact OE1-NE 2.9Å; E306-R310 PolarHBondContact OE1-NE 3.42Å; E306-R310 IonicContact OE1-NH1 3.13Å; E306-R310 PolarHBondContact OE1-NH1 3.27Å; E306-R310 IonicContact OE1-NH2 3.55Å; E306-R310 PolarHBondContact OE1-NH2 3.42Å; E306-R310 VanDerWaalsContact OE1-NH2 3.13Å; E306-R324 IonicContact OE1-NH1 3.83Å; E306-R324 IonicContact OE2-CZ 2.83Å; E306-R324 IonicContact OE2-NH1 2.9Å; E306-R324 PolarHBondContact OE2-NH1 3.3Å; E306-R324 IonicContact OE2-NH2 3.07Å; E306-R324 PolarHBondContact OE2-NH2 3.43Å
307V77.2Confident80.6Confident15 Ų1565.9 Ų65.99%0.09132%0.319CS..Hα-helixtrans-57-50.5174.5173.80000110.2I303 R309 G311 L318 A320I303-V307 HydrophobicContact CG2-CG2 4.49Å; I303-V307 VanDerWaalsContact O-CG2 3.27Å; I303-V307 WeakPolarHBondContact O-CG2 3.36Å; I303-V307 PolarHBondContact O-N 3.01Å; V307-R309 PolarHBondContact O-N 3.29Å; V307-G311 PolarHBondContact O-N 2.97Å; V307-L318 WeakPolarHBondContact CG2-O 3.48Å; V307-A320 HydrophobicContact CG1-CB 3.83Å
308R74.5Confident80.7Confident174 Ų17464.5 Ų64.566%0.65732%0.316SS*.Hα-helixtrans-60.7-45.2177.5-74.2-170.2-72.8-163.5-2.7112.4A304 R305A304-R308 WeakPolarHBondContact O-CG 3.43Å; A304-R308 PolarHBondContact O-N 3.31Å; A304-R308 VanDerWaalsContact O-N 3.09Å; R305-R308 PolarHBondContact O-N 3.42Å
309R72.6Confident80.9Confident189 Ų18961 Ų6171%0.71330%0.297SS*.Hα-helixtrans-66.7-40-176.1-175.7-176.666.7-165-3.7112.7R305 E306 V307R305-R309 VanDerWaalsContact O-CB 3.24Å; R305-R309 WeakPolarHBondContact O-CB 3.27Å; R305-R309 PolarHBondContact O-N 2.85Å; E306-R309 PolarHBondContact O-N 3.4Å; V307-R309 PolarHBondContact O-N 3.29Å
310R71.8Confident81.2Confident125 Ų12561.7 Ų61.747%0.47231%0.306SS..Hα-helixtrans-84.7-18.8-176.4-63.4-171.3171.5175.74.8113.4E306 L312 L318E306-R310 HydrophobicContact CG-CG 4.36Å; E306-R310 PolarHBondContact O-N 3.12Å; E306-R310 IonicContact OE1-CZ 3.59Å; E306-R310 IonicContact OE1-NE 2.9Å; E306-R310 PolarHBondContact OE1-NE 3.42Å; E306-R310 IonicContact OE1-NH1 3.13Å; E306-R310 PolarHBondContact OE1-NH1 3.27Å; E306-R310 IonicContact OE1-NH2 3.55Å; E306-R310 PolarHBondContact OE1-NH2 3.42Å; E306-R310 VanDerWaalsContact OE1-NH2 3.13Å; R310-L312 HydrophobicContact CB-CD1 3.78Å; R310-L312 HydrophobicContact CB-CD2 4.47Å; R310-L312 HydrophobicContact CB-CG 3.64Å; R310-L312 HydrophobicContact CG-CD1 4.42Å; R310-L312 PolarHBondContact O-N 2.78Å; R310-L312 VanDerWaalsContact O-N 3.13Å; R310-L318 VanDerWaalsContact NH1-CD1 3.32Å
311G69.4Low81.4Confident54 Ų5461.2 Ų61.256%0.55730%0.304SS*.THydrogen-bonded Turntrans56.928.5178.800000113.6V307 T313V307-G311 PolarHBondContact O-N 2.97Å; G311-T313 PolarHBondContact O-N 2.88Å; G311-T313 VanDerWaalsContact O-N 3.09Å
312L69.4Low81.9Confident60 Ų6060.3 Ų60.331%0.31430%0.295SS..  trans-75.198.6-174.6-64.4168.1000109.7R310 N315 L318R310-L312 HydrophobicContact CB-CD1 3.78Å; R310-L312 HydrophobicContact CB-CD2 4.47Å; R310-L312 HydrophobicContact CB-CG 3.64Å; R310-L312 HydrophobicContact CG-CD1 4.42Å; R310-L312 PolarHBondContact O-N 2.78Å; R310-L312 VanDerWaalsContact O-N 3.13Å; L312-N315 HydrophobicContact CB-CB 3.86Å; L312-N315 HydrophobicContact CD1-CB 4.25Å; L312-N315 HydrophobicContact CG-CB 4.45Å; L312-L318 HydrophobicContact CD1-CB 3.92Å; L312-L318 HydrophobicContact CD1-CD1 4.16Å
313T73.1Confident82.6Confident115 Ų11555.5 Ų55.571%0.70627%0.271SS*.SBendtrans-82.6-33176.452.20000112.6G311G311-T313 PolarHBondContact O-N 2.88Å; G311-T313 VanDerWaalsContact O-N 3.09Å
314D85Confident83.1Confident87 Ų8756.6 Ų56.647%0.46527%0.274SS..SBendtrans-102.914.4-172.2-61.9-35.8000113.5T394 L395D314-T394 HydrophobicContact CB-CG2 4.35Å; D314-T394 CarbonylContact O-C 3.59Å; D314-T394 WeakPolarHBondContact O-CA 3.47Å; D314-L395 HydrophobicContact CB-CB 4.29Å; D314-L395 PolarHBondContact O-N 3.38Å
315N90.9Very high83.7Confident12 Ų1255.7 Ų55.76%0.06427%0.266CS..BIsolated β-bridgetrans-103113.5-178.4-167.1-70.3000111.7L312 K317 L318 G319 Q393L312-N315 HydrophobicContact CB-CB 3.86Å; L312-N315 HydrophobicContact CD1-CB 4.25Å; L312-N315 HydrophobicContact CG-CB 4.45Å; N315-K317 VanDerWaalsContact C-N 3.27Å; N315-K317 PolarHBondContact O-N 2.74Å; N315-K317 PolarHBondContact OD1-N 3.23Å; N315-K317 VanDerWaalsContact OD1-N 3.12Å; N315-L318 WeakPolarHBondContact OD1-CB 3.3Å; N315-L318 PolarHBondContact OD1-N 2.87Å; N315-G319 WeakPolarHBondContact O-CA 3.43Å; N315-G319 PolarHBondContact O-N 2.89Å; N315-Q393 CarbonylContact C-O 3.56Å; N315-Q393 WeakPolarHBondContact CA-O 3.18Å
316I93Very high84.6Confident2 Ų249.1 Ų49.11%0.0124%0.242CC..THydrogen-bonded Turntrans-67.4-28.7-173.9-50.7172.2000111.6G322 I323 L377 L380 E381 L384 Q393 L395I316-G322 CarbonylContact O-C 3.45Å; I316-G322 WeakPolarHBondContact O-CA 3.24Å; I316-I323 HydrophobicContact CG2-CD1 3.98Å; I316-I323 HydrophobicContact CG2-CG1 4.36Å; I316-I323 PolarHBondContact O-N 3.36Å; I316-L377 HydrophobicContact CG2-CB 4.03Å; I316-L377 HydrophobicContact CG2-CD2 3.49Å; I316-L377 VanDerWaalsContact CG2-CD2 3.49Å; I316-L377 HydrophobicContact CG2-CG 4.35Å; I316-L380 HydrophobicContact CD1-CD2 3.9Å; I316-L380 HydrophobicContact CD1-CG 3.84Å; I316-L380 HydrophobicContact CG1-CD2 4.47Å; I316-E381 HydrophobicContact CD1-CB 4.42Å; I316-L384 HydrophobicContact CD1-CD2 4.46Å; I316-Q393 PolarHBondContact N-O 3.38Å; I316-L395 HydrophobicContact CD1-CD2 3.67Å; I316-L395 HydrophobicContact CD1-CG 4.44Å; I316-L395 HydrophobicContact CG1-CD2 3.87Å; I316-L395 HydrophobicContact CG1-CG 4.17Å
317K91.9Very high85.6Confident56 Ų5648.2 Ų48.224%0.24324%0.238CC..THydrogen-bonded Turntrans-89.2-46.9-176.6-175.7-178.7-178.4177.30112.8N315 R324 Q393N315-K317 VanDerWaalsContact C-N 3.27Å; N315-K317 PolarHBondContact O-N 2.74Å; N315-K317 PolarHBondContact OD1-N 3.23Å; N315-K317 VanDerWaalsContact OD1-N 3.12Å; K317-R324 WeakPolarHBondContact O-CB 3.4Å; K317-R324 PolarHBondContact O-N 3.12Å; K317-R324 VanDerWaalsContact O-N 3.14Å; K317-Q393 HydrophobicContact CB-CB 4.15Å; K317-Q393 HydrophobicContact CB-CG 3.93Å; K317-Q393 HydrophobicContact CD-CG 4.02Å
318L87.7Confident86.4Confident24 Ų2447.5 Ų47.513%0.12623%0.233CC..THydrogen-bonded Turntrans-105.2-9.8-168.6-57.1-179.5000113.9V307 R310 L312 N315V307-L318 WeakPolarHBondContact CG2-O 3.48Å; R310-L318 VanDerWaalsContact NH1-CD1 3.32Å; L312-L318 HydrophobicContact CD1-CB 3.92Å; L312-L318 HydrophobicContact CD1-CD1 4.16Å; N315-L318 WeakPolarHBondContact OD1-CB 3.3Å; N315-L318 PolarHBondContact OD1-N 2.87Å
319G87.3Confident87.5Confident2 Ų239.2 Ų39.22%0.02120%0.202CC..SBendtrans-67.6163.3174.900000112.6N315 G321 G322N315-G319 WeakPolarHBondContact O-CA 3.43Å; N315-G319 PolarHBondContact O-N 2.89Å; G319-G321 PolarHBondContact O-N 3Å; G319-G322 PolarHBondContact O-N 2.94Å
320A90.8Very high88.6Confident36 Ų3630.2 Ų30.230%0.29817%0.168SC..THydrogen-bonded Turntrans-60124.7174.100000110V307 G322 M425V307-A320 HydrophobicContact CG1-CB 3.83Å; A320-G322 VanDerWaalsContact C-N 3.3Å; A320-M425 WeakPolarHBondContact O-CE 3.33Å
321G93.3Very high89.7Confident0 Ų024.6 Ų24.60%015%0.147CC..THydrogen-bonded Turntrans77.810.5-173.600000115.3G319 E325 M425 V428G319-G321 PolarHBondContact O-N 3Å; G321-E325 WeakPolarHBondContact CA-OE2 3.34Å; G321-E325 VanDerWaalsContact N-CD 3.34Å; G321-E325 PolarHBondContact N-OE2 2.83Å; G321-M425 VanDerWaalsContact CA-O 3.26Å; G321-M425 WeakPolarHBondContact CA-O 3.47Å; G321-V428 WeakPolarHBondContact O-CB 3.46Å
322G94.2Very high90.9Very high0 Ų022 Ų220%012%0.121CC..SBendtrans-76.3-178.7178.700000114.1I316 G319 A320 R324 E325 I326I316-G322 CarbonylContact O-C 3.45Å; I316-G322 WeakPolarHBondContact O-CA 3.24Å; G319-G322 PolarHBondContact O-N 2.94Å; A320-G322 VanDerWaalsContact C-N 3.3Å; G322-R324 PolarHBondContact O-N 3.1Å; G322-E325 PolarHBondContact O-N 3.43Å; G322-I326 PolarHBondContact O-N 3.25Å
323I95.5Very high92.1Very high0 Ų020.4 Ų20.40%011%0.111CC..Hα-helixtrans-53.6-41.2-176.6-63.5164000112I316 E325 I326 E327 Y374 L377 E381I316-I323 HydrophobicContact CG2-CD1 3.98Å; I316-I323 HydrophobicContact CG2-CG1 4.36Å; I316-I323 PolarHBondContact O-N 3.36Å; I323-E325 VanDerWaalsContact C-N 3.3Å; I323-E325 PolarHBondContact O-N 2.98Å; I323-I326 WeakPolarHBondContact O-CB 3.33Å; I323-I326 PolarHBondContact O-N 3.27Å; I323-E327 HydrophobicContact CG2-CG 4.27Å; I323-E327 WeakPolarHBondContact O-CG 3.35Å; I323-E327 PolarHBondContact O-N 3.25Å; I323-Y374 HydrophobicContact CG2-CE2 4.07Å; I323-L377 HydrophobicContact CD1-CB 4.18Å; I323-L377 HydrophobicContact CG1-CB 3.65Å; I323-L377 HydrophobicContact CG1-CD1 4.2Å; I323-L377 HydrophobicContact CG1-CG 4.47Å; I323-E381 HydrophobicContact CD1-CB 4.33Å; I323-E381 WeakPolarHBondContact CD1-OE2 3.45Å
324R92.3Very high93.2Very high39 Ų3915 Ų1515%0.1478%0.078CC..Hα-helixtrans-63.1-34.2-178.7-176.1175.865.51704.1113E306 K317 G322 F328E306-R324 IonicContact OE1-NH1 3.83Å; E306-R324 IonicContact OE2-CZ 2.83Å; E306-R324 IonicContact OE2-NH1 2.9Å; E306-R324 PolarHBondContact OE2-NH1 3.3Å; E306-R324 IonicContact OE2-NH2 3.07Å; E306-R324 PolarHBondContact OE2-NH2 3.43Å; K317-R324 WeakPolarHBondContact O-CB 3.4Å; K317-R324 PolarHBondContact O-N 3.12Å; K317-R324 VanDerWaalsContact O-N 3.14Å; G322-R324 PolarHBondContact O-N 3.1Å; R324-F328 VanDerWaalsContact O-CB 3.32Å; R324-F328 WeakPolarHBondContact O-CB 3.45Å; R324-F328 PolarHBondContact O-N 3.31Å
325E95.1Very high93.5Very high1 Ų110.9 Ų10.91%0.0056%0.056CC..Hα-helixtrans-70.4-35.8177.7-71.4-173.6-173.500111I303 G321 G322 I323 F328 I329 V428 R429 F432I303-E325 HydrophobicContact CG2-CG 4.3Å; G321-E325 WeakPolarHBondContact CA-OE2 3.34Å; G321-E325 VanDerWaalsContact N-CD 3.34Å; G321-E325 PolarHBondContact N-OE2 2.83Å; G322-E325 PolarHBondContact O-N 3.43Å; I323-E325 VanDerWaalsContact C-N 3.3Å; I323-E325 PolarHBondContact O-N 2.98Å; E325-F328 PolarHBondContact O-N 3.37Å; E325-I329 WeakPolarHBondContact O-CD1 3.36Å; E325-I329 VanDerWaalsContact O-CG1 3.23Å; E325-I329 WeakPolarHBondContact O-CG1 3.4Å; E325-I329 PolarHBondContact O-N 2.93Å; E325-V428 HydrophobicContact CB-CG1 3.9Å; E325-R429 IonicContact OE1-CZ 3.31Å; E325-R429 IonicContact OE1-NH1 3.09Å; E325-R429 PolarHBondContact OE1-NH1 3.04Å; E325-R429 IonicContact OE2-NH1 2.96Å; E325-R429 PolarHBondContact OE2-NH1 2.95Å; E325-F432 HydrophobicContact CB-CB 4.44Å; E325-F432 HydrophobicContact CB-CD2 3.67Å; E325-F432 HydrophobicContact CB-CE2 4.2Å; E325-F432 HydrophobicContact CB-CG 4.18Å; E325-F432 HydrophobicContact CG-CD2 3.71Å; E325-F432 HydrophobicContact CG-CE2 3.85Å; E325-F432 HydrophobicContact CG-CG 4.11Å; E325-F432 HydrophobicContact CG-CZ 4.37Å
326I97.5Very high93.6Very high0 Ų012.2 Ų12.20%06%0.062CC..Hα-helixtrans-64.6-48.4172.8-52.8179.2000110.7G322 I323 F328 I329 V330 L349 L370 A373 Y374 L377 V428G322-I326 PolarHBondContact O-N 3.25Å; I323-I326 WeakPolarHBondContact O-CB 3.33Å; I323-I326 PolarHBondContact O-N 3.27Å; I326-F328 VanDerWaalsContact C-N 3.25Å; I326-F328 PolarHBondContact O-N 2.96Å; I326-I329 PolarHBondContact O-N 3.48Å; I326-V330 PolarHBondContact O-N 2.79Å; I326-V330 VanDerWaalsContact O-N 3.1Å; I326-L349 HydrophobicContact CG2-CD1 4.18Å; I326-L349 HydrophobicContact CG2-CD2 4.16Å; I326-L370 HydrophobicContact CG1-CD2 4.32Å; I326-L370 HydrophobicContact CG2-CD2 4.46Å; I326-A373 HydrophobicContact CD1-CB 4.24Å; I326-Y374 HydrophobicContact CB-CD2 4.28Å; I326-Y374 HydrophobicContact CD1-CD2 4.08Å; I326-Y374 HydrophobicContact CG2-CD2 3.94Å; I326-Y374 HydrophobicContact CG2-CG 4.39Å; I326-L377 HydrophobicContact CD1-CD1 3.7Å; I326-V428 HydrophobicContact CD1-CG1 4.41Å; I326-V428 HydrophobicContact CD1-CG2 3.71Å; I326-V428 HydrophobicContact CG1-CB 4.3Å; I326-V428 HydrophobicContact CG1-CG1 3.53Å; I326-V428 HydrophobicContact CG1-CG2 3.7Å
327E95.3Very high93.6Very high22 Ų2216 Ų1610%0.1038%0.076CC..Hα-helixtrans-55.8-43.5176-70.6171.3158.800110.8K162 I323 Q331 L349K162-E327 IonicContact NZ-OE1 3.65Å; K162-E327 PolarHBondContact NZ-OE1 3.35Å; K162-E327 IonicContact NZ-OE2 2.93Å; I323-E327 HydrophobicContact CG2-CG 4.27Å; I323-E327 WeakPolarHBondContact O-CG 3.35Å; I323-E327 PolarHBondContact O-N 3.25Å; E327-Q331 WeakPolarHBondContact O-CB 3.41Å; E327-Q331 WeakPolarHBondContact O-CG 3.22Å; E327-Q331 PolarHBondContact O-N 3.02Å; E327-L349 HydrophobicContact CB-CD1 4.43Å; E327-L349 HydrophobicContact CG-CD1 3.9Å
328F94.6Very high93.6Very high0 Ų013.3 Ų13.30%07%0.065CC..Hα-helixtrans-63.4-49177.2-172.4-98.9000112.9Y256 M299 K300 I303 R324 E325 I326 V330 Q331 V332 F432 L435Y256-F328 AromaticContact CE2-CD2 3.81Å; Y256-F328 HydrophobicContact CE2-CD2 3.81Å; Y256-F328 HydrophobicContact CE2-CE2 4.42Å; Y256-F328 PolarHBondContact OH-N 2.91Å; M299-F328 HydrophobicContact CB-CE2 3.89Å; M299-F328 HydrophobicContact CB-CZ 4.15Å; M299-F328 HydrophobicContact CG-CE2 3.68Å; M299-F328 HydrophobicContact CG-CZ 4.41Å; M299-F328 HydrophobicContact SD-CD2 4.4Å; M299-F328 HydrophobicContact SD-CE2 3.73Å; K300-F328 HydrophobicContact CB-CE1 3.65Å; K300-F328 HydrophobicContact CB-CZ 3.8Å; K300-F328 HydrophobicContact CG-CE1 4.12Å; I303-F328 HydrophobicContact CD1-CB 4.03Å; I303-F328 HydrophobicContact CD1-CD1 4.33Å; I303-F328 HydrophobicContact CD1-CD2 3.35Å; I303-F328 HydrophobicContact CD1-CE2 3.84Å; I303-F328 HydrophobicContact CD1-CG 3.63Å; I303-F328 HydrophobicContact CD1-CZ 4.49Å; R324-F328 VanDerWaalsContact O-CB 3.32Å; R324-F328 WeakPolarHBondContact O-CB 3.45Å; R324-F328 PolarHBondContact O-N 3.31Å; E325-F328 PolarHBondContact O-N 3.37Å; I326-F328 VanDerWaalsContact C-N 3.25Å; I326-F328 PolarHBondContact O-N 2.96Å; F328-V330 VanDerWaalsContact C-N 3.35Å; F328-V330 PolarHBondContact O-N 2.95Å; F328-Q331 PolarHBondContact O-N 3.44Å; F328-V332 HydrophobicContact CD1-CG2 3.96Å; F328-V332 HydrophobicContact CD2-CG2 4.37Å; F328-V332 HydrophobicContact CE1-CG2 3.58Å; F328-V332 HydrophobicContact CE2-CG2 4Å; F328-V332 HydrophobicContact CG-CG2 4.36Å; F328-V332 HydrophobicContact CZ-CG2 3.59Å; F328-V332 WeakPolarHBondContact O-CB 3.23Å; F328-V332 VanDerWaalsContact O-CG2 3.25Å; F328-V332 WeakPolarHBondContact O-CG2 3.11Å; F328-V332 PolarHBondContact O-N 3.5Å; F328-F432 HydrophobicContact CB-CE2 4.29Å; F328-F432 HydrophobicContact CD1-CD2 4.09Å; F328-F432 AromaticContact CD1-CE2 3.44Å; F328-F432 HydrophobicContact CD1-CE2 3.44Å; F328-F432 VanDerWaalsContact CD1-CE2 3.44Å; F328-F432 HydrophobicContact CD1-CZ 4.3Å; F328-F432 HydrophobicContact CE1-CE2 4.08Å; F328-F432 HydrophobicContact CG-CE2 4.1Å; F328-L435 HydrophobicContact CD1-CD2 3.86Å; F328-L435 HydrophobicContact CE1-CD2 3.85Å
329I96.4Very high93.7Very high0 Ų012.8 Ų12.80%07%0.066CC..Hα-helixtrans-54.1-52178.2-70.3158.5000110.7E325 I326 V332 F333 L362 L370 V428 V431 F432 L435E325-I329 WeakPolarHBondContact O-CD1 3.36Å; E325-I329 VanDerWaalsContact O-CG1 3.23Å; E325-I329 WeakPolarHBondContact O-CG1 3.4Å; E325-I329 PolarHBondContact O-N 2.93Å; I326-I329 PolarHBondContact O-N 3.48Å; I329-V332 PolarHBondContact O-N 3.16Å; I329-F333 HydrophobicContact CG2-CD2 4.41Å; I329-F333 HydrophobicContact CG2-CE2 4.06Å; I329-F333 VanDerWaalsContact O-CD2 3.23Å; I329-F333 WeakPolarHBondContact O-CD2 3.26Å; I329-F333 PolarHBondContact O-N 2.84Å; I329-L362 HydrophobicContact CG2-CD1 4.24Å; I329-L370 HydrophobicContact CD1-CD1 4.43Å; I329-L370 HydrophobicContact CD1-CD2 3.9Å; I329-L370 HydrophobicContact CG2-CD1 3.88Å; I329-V428 HydrophobicContact CD1-CG1 4.38Å; I329-V431 HydrophobicContact CD1-CB 4.2Å; I329-V431 HydrophobicContact CD1-CG1 4.08Å; I329-V431 HydrophobicContact CG2-CG1 4.28Å; I329-F432 HydrophobicContact CD1-CB 4.03Å; I329-F432 HydrophobicContact CG1-CB 4.4Å; I329-F432 HydrophobicContact CG1-CD2 4.26Å; I329-L435 HydrophobicContact CB-CD2 4.35Å; I329-L435 HydrophobicContact CG1-CD2 3.99Å; I329-L435 HydrophobicContact CG2-CD1 4.32Å
330V96.4Very high93.7Very high0 Ų020.1 Ų20.10%09%0.093CC..Hα-helixtrans-64-48.2-176.4174.20000111I326 F328 V332 F333 Q334 L349 T352 L353 I356I326-V330 PolarHBondContact O-N 2.79Å; I326-V330 VanDerWaalsContact O-N 3.1Å; F328-V330 VanDerWaalsContact C-N 3.35Å; F328-V330 PolarHBondContact O-N 2.95Å; V330-V332 VanDerWaalsContact C-N 3.32Å; V330-V332 PolarHBondContact O-N 3.35Å; V330-F333 PolarHBondContact O-N 2.95Å; V330-Q334 WeakPolarHBondContact O-CG 3.44Å; V330-Q334 PolarHBondContact O-N 3.05Å; V330-L349 HydrophobicContact CB-CG 4.24Å; V330-L349 HydrophobicContact CG1-CG 4.25Å; V330-L349 HydrophobicContact CG2-CD1 4.46Å; V330-L349 HydrophobicContact CG2-CD2 4.11Å; V330-L349 HydrophobicContact CG2-CG 3.98Å; V330-T352 HydrophobicContact CG1-CG2 3.54Å; V330-L353 HydrophobicContact CG2-CD1 3.88Å; V330-I356 HydrophobicContact CB-CD1 4.33Å; V330-I356 HydrophobicContact CG1-CD1 4Å; V330-I356 HydrophobicContact CG2-CD1 4.33Å
331Q95Very high93.7Very high7 Ų720.8 Ų20.83%0.0339%0.09CC..Hα-helixtrans-69-28-176.9-72.2179.8-126.200113.4Y256 V259 E327 F328 Q334 L335Y256-Q331 HydrophobicContact CD2-CB 3.92Å; Y256-Q331 HydrophobicContact CE2-CB 3.49Å; Y256-Q331 VanDerWaalsContact CE2-CB 3.49Å; Y256-Q331 HydrophobicContact CE2-CG 4.21Å; Y256-Q331 PolarHBondContact O-NE2 3.46Å; V259-Q331 HydrophobicContact CG1-CG 4.12Å; E327-Q331 WeakPolarHBondContact O-CB 3.41Å; E327-Q331 WeakPolarHBondContact O-CG 3.22Å; E327-Q331 PolarHBondContact O-N 3.02Å; F328-Q331 PolarHBondContact O-N 3.44Å; Q331-Q334 WeakPolarHBondContact O-CB 3.27Å; Q331-Q334 PolarHBondContact O-N 3.12Å; Q331-L335 WeakPolarHBondContact O-CG 3.23Å; Q331-L335 PolarHBondContact O-N 3.46Å
332V94.3Very high93.6Very high0 Ų024.8 Ų24.80%012%0.115CC..Hα-helixtrans-59.7-461721620000110.7L296 F328 I329 V330 Q334 L335 I336 L435 I436L296-V332 HydrophobicContact CD1-CG1 4.35Å; L296-V332 HydrophobicContact CD2-CG2 4.29Å; F328-V332 HydrophobicContact CD1-CG2 3.96Å; F328-V332 HydrophobicContact CD2-CG2 4.37Å; F328-V332 HydrophobicContact CE1-CG2 3.58Å; F328-V332 HydrophobicContact CE2-CG2 4Å; F328-V332 HydrophobicContact CG-CG2 4.36Å; F328-V332 HydrophobicContact CZ-CG2 3.59Å; F328-V332 WeakPolarHBondContact O-CB 3.23Å; F328-V332 VanDerWaalsContact O-CG2 3.25Å; F328-V332 WeakPolarHBondContact O-CG2 3.11Å; F328-V332 PolarHBondContact O-N 3.5Å; I329-V332 PolarHBondContact O-N 3.16Å; V330-V332 VanDerWaalsContact C-N 3.32Å; V330-V332 PolarHBondContact O-N 3.35Å; V332-Q334 VanDerWaalsContact C-N 3.3Å; V332-Q334 PolarHBondContact O-N 3.26Å; V332-L335 PolarHBondContact O-N 3.42Å; V332-I336 HydrophobicContact CG1-CD1 3.73Å; V332-I336 VanDerWaalsContact O-CG1 3.32Å; V332-I336 WeakPolarHBondContact O-CG1 3.42Å; V332-I336 PolarHBondContact O-N 2.91Å; V332-L435 HydrophobicContact CB-CD2 4.05Å; V332-L435 HydrophobicContact CG1-CD1 4.06Å; V332-L435 HydrophobicContact CG1-CD2 4.08Å; V332-L435 HydrophobicContact CG1-CG 4.15Å; V332-L435 HydrophobicContact CG2-CD2 4Å; V332-I436 HydrophobicContact CG1-CG2 3.61Å
333F95.2Very high93.5Very high26 Ų2627.5 Ų27.511%0.11414%0.135CC..Hα-helixtrans-62.1-38.7174.8-73.2-68.7000112.3I329 V330 I336 R337 I356 L361 L362 L435I329-F333 HydrophobicContact CG2-CD2 4.41Å; I329-F333 HydrophobicContact CG2-CE2 4.06Å; I329-F333 VanDerWaalsContact O-CD2 3.23Å; I329-F333 WeakPolarHBondContact O-CD2 3.26Å; I329-F333 PolarHBondContact O-N 2.84Å; V330-F333 PolarHBondContact O-N 2.95Å; F333-I336 PolarHBondContact O-N 2.99Å; F333-R337 WeakPolarHBondContact O-CB 3.46Å; F333-R337 PolarHBondContact O-N 3.34Å; F333-I356 HydrophobicContact CB-CD1 3.83Å; F333-I356 HydrophobicContact CB-CG1 4.03Å; F333-I356 HydrophobicContact CD2-CD1 3.8Å; F333-I356 HydrophobicContact CD2-CG1 4.34Å; F333-I356 HydrophobicContact CD2-CG2 4.21Å; F333-I356 HydrophobicContact CE2-CG2 4.34Å; F333-I356 HydrophobicContact CG-CD1 4.1Å; F333-I356 HydrophobicContact CG-CG1 4.29Å; F333-L361 HydrophobicContact CB-CD1 4.49Å; F333-L361 HydrophobicContact CD1-CB 3.82Å; F333-L361 HydrophobicContact CD1-CD1 4.01Å; F333-L361 HydrophobicContact CD1-CG 4.41Å; F333-L361 HydrophobicContact CE1-CB 3.74Å; F333-L361 WeakPolarHBondContact CE1-O 3.46Å; F333-L361 HydrophobicContact CZ-CB 4.42Å; F333-L361 WeakPolarHBondContact CZ-O 3.32Å; F333-L362 HydrophobicContact CE2-CD1 3.87Å; F333-L362 HydrophobicContact CE2-CD2 3.91Å; F333-L362 HydrophobicContact CE2-CG 3.64Å; F333-L362 HydrophobicContact CZ-CD1 4.43Å; F333-L362 HydrophobicContact CZ-CD2 3.71Å; F333-L362 HydrophobicContact CZ-CG 3.71Å; F333-L435 HydrophobicContact CD2-CD1 4.41Å; F333-L435 HydrophobicContact CE2-CD1 3.73Å; F333-L435 HydrophobicContact CZ-CD1 3.92Å
334Q95.1Very high93.5Very high0 Ų027.5 Ų27.50%014%0.135CC..Hα-helixtrans-62.8-41.9175.8-60.4-172.1-100.300112.3V259 F284 V330 Q331 V332 G338 L344 S346 T352V259-Q334 HydrophobicContact CG1-CB 4.3Å; V259-Q334 VanDerWaalsContact CG1-CD 3.49Å; V259-Q334 VanDerWaalsContact CG1-OE1 3.31Å; F284-Q334 HydrophobicContact CE1-CB 4.29Å; V330-Q334 WeakPolarHBondContact O-CG 3.44Å; V330-Q334 PolarHBondContact O-N 3.05Å; Q331-Q334 WeakPolarHBondContact O-CB 3.27Å; Q331-Q334 PolarHBondContact O-N 3.12Å; V332-Q334 VanDerWaalsContact C-N 3.3Å; V332-Q334 PolarHBondContact O-N 3.26Å; Q334-G338 WeakPolarHBondContact O-CA 3.25Å; Q334-G338 PolarHBondContact O-N 3.35Å; Q334-L344 VanDerWaalsContact CG-O 3.3Å; Q334-L344 WeakPolarHBondContact CG-O 3.2Å; Q334-L344 PolarHBondContact NE2-O 3.34Å; Q334-S346 PolarHBondContact NE2-O 3.34Å; Q334-T352 HydrophobicContact CG-CG2 3.53Å
335L93.1Very high93.6Very high2 Ų227.1 Ų27.11%0.0114%0.135CC..Hα-helixtrans-71.3-32.6179.7-69.7173.5000112.9R255 Y256 V259 I288 L296 Q331 V332R255-L335 HydrophobicContact CB-CD2 4.04Å; Y256-L335 HydrophobicContact CD2-CD1 4.14Å; V259-L335 HydrophobicContact CG2-CD2 3.72Å; V259-L335 HydrophobicContact CG2-CG 4.15Å; I288-L335 VanDerWaalsContact CD1-O 3.31Å; I288-L335 WeakPolarHBondContact CD1-O 3.45Å; L296-L335 HydrophobicContact CD1-CB 4.48Å; L296-L335 HydrophobicContact CD2-CB 4.46Å; L296-L335 HydrophobicContact CD2-CD1 3.68Å; Q331-L335 WeakPolarHBondContact O-CG 3.23Å; Q331-L335 PolarHBondContact O-N 3.46Å; V332-L335 PolarHBondContact O-N 3.42Å
336I92Very high93.5Very high39 Ų3928.7 Ų28.720%0.215%0.146CC..Hα-helixtrans-81-41.4178.9-64.1171.3000111.7I288 I293 L296 V332 F333 I436I288-I336 VanDerWaalsContact CG1-O 3.29Å; I288-I336 WeakPolarHBondContact CG1-O 3.29Å; I293-I336 HydrophobicContact CD1-CD1 3.72Å; I293-I336 HydrophobicContact CD1-CG1 3.77Å; I293-I336 HydrophobicContact CD1-CG2 4.31Å; L296-I336 HydrophobicContact CD1-CD1 3.85Å; L296-I336 HydrophobicContact CD1-CG1 3.55Å; V332-I336 HydrophobicContact CG1-CD1 3.73Å; V332-I336 VanDerWaalsContact O-CG1 3.32Å; V332-I336 WeakPolarHBondContact O-CG1 3.42Å; V332-I336 PolarHBondContact O-N 2.91Å; F333-I336 PolarHBondContact O-N 2.99Å; I336-I436 HydrophobicContact CD1-CG2 3.81Å
337R92.5Very high93.3Very high81 Ų8133.3 Ų33.331%0.30616%0.163SC..Hα-helixtrans-112.1-21.2-169.7-66.8-63.7-59.5179.4-1.5114F333 G339 R340 E341 L344 L361F333-R337 WeakPolarHBondContact O-CB 3.46Å; F333-R337 PolarHBondContact O-N 3.34Å; R337-G339 PolarHBondContact O-N 2.94Å; R337-G339 VanDerWaalsContact O-N 3.12Å; R337-R340 PolarHBondContact O-N 3.23Å; R337-E341 HydrophobicContact CB-CG 4.24Å; R337-E341 IonicContact CZ-OE1 2.76Å; R337-E341 IonicContact NH2-OE1 2.69Å; R337-E341 PolarHBondContact NH2-OE1 2.93Å; R337-E341 WeakPolarHBondContact O-CB 3.31Å; R337-E341 PolarHBondContact O-N 3.43Å; R337-L344 HydrophobicContact CB-CD1 3.43Å; R337-L344 VanDerWaalsContact CB-CD1 3.43Å; R337-L344 HydrophobicContact CG-CD1 4.48Å; R337-L361 HydrophobicContact CB-CD1 4.42Å; R337-L361 HydrophobicContact CG-CD1 4.12Å; R337-L361 HydrophobicContact CG-CD2 4.29Å
338G91.9Very high93.3Very high0 Ų034 Ų340%017%0.17CC..THydrogen-bonded Turntrans-59.9-27-173.700000114.6Q334 R340 Q345Q334-G338 WeakPolarHBondContact O-CA 3.25Å; Q334-G338 PolarHBondContact O-N 3.35Å; G338-R340 VanDerWaalsContact C-N 3.27Å; G338-R340 PolarHBondContact O-N 2.99Å; G338-Q345 WeakPolarHBondContact O-CG 3.31Å; G338-Q345 PolarHBondContact O-NE2 3.16Å
339G89.4Confident93.4Very high14 Ų1434 Ų3414%0.14417%0.171CC..THydrogen-bonded Turntrans-68.5-23.8174.200000114.5F284 R285 R337F284-G339 WeakPolarHBondContact O-CA 3.41Å; R285-G339 WeakPolarHBondContact O-CA 3.36Å; R337-G339 PolarHBondContact O-N 2.94Å; R337-G339 VanDerWaalsContact O-N 3.12Å
340R87.7Confident93.4Very high156 Ų15634.8 Ų34.859%0.58918%0.175SC*.THydrogen-bonded Turntrans-105.4-25.5176.8-63.1-169.7-179.2-172.52.1113.1R286 R337 G338 P342R286-R340 PolarHBondContact O-NE 2.94Å; R286-R340 VanDerWaalsContact O-NE 3.12Å; R337-R340 PolarHBondContact O-N 3.23Å; G338-R340 VanDerWaalsContact C-N 3.27Å; G338-R340 PolarHBondContact O-N 2.99Å; R340-P342 WeakPolarHBondContact O-CD 2.99Å
341E90.9Very high93.4Very high50 Ų5037.9 Ų37.923%0.23420%0.195CC..  trans-115.492.9-178.2-56.6-61.7167.100110.1R337 S343 L344 L359R337-E341 HydrophobicContact CB-CG 4.24Å; R337-E341 IonicContact CZ-OE1 2.76Å; R337-E341 IonicContact NH2-OE1 2.69Å; R337-E341 PolarHBondContact NH2-OE1 2.93Å; R337-E341 WeakPolarHBondContact O-CB 3.31Å; R337-E341 PolarHBondContact O-N 3.43Å; E341-S343 PolarHBondContact O-N 2.85Å; E341-S343 VanDerWaalsContact O-N 3.08Å; E341-L344 HydrophobicContact CB-CB 4.42Å; E341-L344 HydrophobicContact CB-CD1 3.96Å; E341-L344 HydrophobicContact CB-CG 4.19Å; E341-L344 HydrophobicContact CG-CD1 4.35Å; E341-L344 PolarHBondContact O-N 3.41Å; E341-L359 HydrophobicContact CB-CD1 4.17Å; E341-L359 HydrophobicContact CG-CD1 4.02Å
342P91.1Very high93.5Very high83 Ų8337.6 Ų37.654%0.53919%0.193SC..G310 helixtrans-56.1-27.1-180-27.335.5000114.2R340 L344 Q345R340-P342 WeakPolarHBondContact O-CD 2.99Å; P342-L344 PolarHBondContact O-N 3.48Å; P342-Q345 VanDerWaalsContact O-CB 3.31Å; P342-Q345 WeakPolarHBondContact O-CB 3.35Å; P342-Q345 PolarHBondContact O-N 2.97Å
343S92.8Very high93.6Very high58 Ų5837.8 Ų37.841%0.40619%0.194SC..G310 helixtrans-63.3-24.5176.353.50000113.3E341 Q345 V355E341-S343 PolarHBondContact O-N 2.85Å; E341-S343 VanDerWaalsContact O-N 3.08Å; S343-Q345 VanDerWaalsContact C-N 3.31Å; S343-V355 VanDerWaalsContact OG-CG1 3.31Å; S343-V355 WeakPolarHBondContact OG-CG1 3.45Å
344L95.1Very high93.6Very high0 Ų039.7 Ų39.70%021%0.211CC..G310 helixtrans-86.54.3173.9-67.8174.7000113.2Q334 R337 E341 P342 S346 T352 V355 I356 L359 L361Q334-L344 VanDerWaalsContact CG-O 3.3Å; Q334-L344 WeakPolarHBondContact CG-O 3.2Å; Q334-L344 PolarHBondContact NE2-O 3.34Å; R337-L344 HydrophobicContact CB-CD1 3.43Å; R337-L344 VanDerWaalsContact CB-CD1 3.43Å; R337-L344 HydrophobicContact CG-CD1 4.48Å; E341-L344 HydrophobicContact CB-CB 4.42Å; E341-L344 HydrophobicContact CB-CD1 3.96Å; E341-L344 HydrophobicContact CB-CG 4.19Å; E341-L344 HydrophobicContact CG-CD1 4.35Å; E341-L344 PolarHBondContact O-N 3.41Å; P342-L344 PolarHBondContact O-N 3.48Å; L344-S346 VanDerWaalsContact C-N 3.27Å; L344-S346 PolarHBondContact O-N 3.44Å; L344-T352 HydrophobicContact CD2-CG2 3.97Å; L344-V355 HydrophobicContact CD2-CB 4.03Å; L344-V355 HydrophobicContact CD2-CG1 3.53Å; L344-V355 HydrophobicContact CG-CG1 3.86Å; L344-I356 HydrophobicContact CD2-CG1 3.73Å; L344-L359 HydrophobicContact CD1-CD1 3.84Å; L344-L359 HydrophobicContact CD2-CD1 4.37Å; L344-L359 HydrophobicContact CG-CD1 3.93Å; L344-L361 HydrophobicContact CD1-CD1 3.76Å
345Q94Very high93.7Very high31 Ų3141.2 Ų41.215%0.14522%0.22CC..G310 helixtrans-89.111.9177-57.1-177.76.100113R280 F284 G338 P342 S343R280-Q345 VanDerWaalsContact CZ-OE1 3.31Å; F284-Q345 HydrophobicContact CD1-CG 4.04Å; F284-Q345 HydrophobicContact CD2-CB 4.25Å; F284-Q345 HydrophobicContact CD2-CG 3.78Å; F284-Q345 HydrophobicContact CE1-CB 4.34Å; F284-Q345 HydrophobicContact CE1-CG 4.05Å; F284-Q345 HydrophobicContact CE2-CB 3.76Å; F284-Q345 HydrophobicContact CE2-CG 3.79Å; F284-Q345 HydrophobicContact CG-CG 3.91Å; F284-Q345 HydrophobicContact CZ-CB 3.82Å; F284-Q345 HydrophobicContact CZ-CG 3.93Å; G338-Q345 WeakPolarHBondContact O-CG 3.31Å; G338-Q345 PolarHBondContact O-NE2 3.16Å; P342-Q345 VanDerWaalsContact O-CB 3.31Å; P342-Q345 WeakPolarHBondContact O-CB 3.35Å; P342-Q345 PolarHBondContact O-N 2.97Å; S343-Q345 VanDerWaalsContact C-N 3.31Å
346S93.2Very high93.8Very high34 Ų3441.1 Ų41.124%0.23822%0.22CC..  trans-66.9143.6174-178.40000111.2Q334 L344 S348 T352Q334-S346 PolarHBondContact NE2-O 3.34Å; L344-S346 VanDerWaalsContact C-N 3.27Å; L344-S346 PolarHBondContact O-N 3.44Å; S346-S348 PolarHBondContact OG-N 3.17Å; S346-T352 WeakPolarHBondContact CB-OG1 3.45Å
347R93.8Very high94Very high96 Ų9640.3 Ų40.336%0.36222%0.219SC..SBendtrans-80.5-28.3178.4-72.477.383.7-171.37111.1G165 K260G165-R347 WeakPolarHBondContact CA-O 3.49Å; K260-R347 WeakPolarHBondContact CD-O 3.22Å; K260-R347 PolarHBondContact NZ-O 3.32Å
348S95.3Very high94.1Very high37 Ų3739.9 Ų39.926%0.25923%0.233SC..SBendtrans-84.7137.4-174.8-52.70000112.3G165 S346 T352G165-S348 VanDerWaalsContact O-CA 3.25Å; G165-S348 WeakPolarHBondContact O-CA 3.29Å; G165-S348 VanDerWaalsContact O-CB 3.23Å; G165-S348 WeakPolarHBondContact O-CB 3.49Å; G165-S348 PolarHBondContact O-OG 3.34Å; S346-S348 PolarHBondContact OG-N 3.17Å; S348-T352 WeakPolarHBondContact O-CB 3.36Å; S348-T352 PolarHBondContact O-N 3.23Å; S348-T352 PolarHBondContact O-OG1 3.08Å
349L96.9Very high94.2Very high1 Ų142.8 Ų42.81%0.00525%0.248CC..Hα-helixtrans-65.8-49.5-175.6-171.1150.8000112.7E167 I326 E327 V330 T352 L353 Y374E167-L349 WeakPolarHBondContact OE2-CB 3.3Å; I326-L349 HydrophobicContact CG2-CD1 4.18Å; I326-L349 HydrophobicContact CG2-CD2 4.16Å; E327-L349 HydrophobicContact CB-CD1 4.43Å; E327-L349 HydrophobicContact CG-CD1 3.9Å; V330-L349 HydrophobicContact CB-CG 4.24Å; V330-L349 HydrophobicContact CG1-CG 4.25Å; V330-L349 HydrophobicContact CG2-CD1 4.46Å; V330-L349 HydrophobicContact CG2-CD2 4.11Å; V330-L349 HydrophobicContact CG2-CG 3.98Å; L349-T352 WeakPolarHBondContact O-CB 3.32Å; L349-T352 PolarHBondContact O-N 3.47Å; L349-L353 PolarHBondContact O-N 2.81Å; L349-Y374 HydrophobicContact CB-CE1 4.46Å; L349-Y374 HydrophobicContact CD1-CD2 4.09Å; L349-Y374 HydrophobicContact CD1-CE2 3.68Å; L349-Y374 HydrophobicContact CD2-CD1 3.96Å; L349-Y374 HydrophobicContact CD2-CD2 4.16Å; L349-Y374 HydrophobicContact CD2-CE1 4.08Å; L349-Y374 HydrophobicContact CD2-CE2 4.32Å; L349-Y374 HydrophobicContact CD2-CG 3.98Å
350L96.7Very high94.5Very high16 Ų1649.4 Ų49.48%0.08427%0.274CS..Hα-helixtrans-64.8-46.6-172.3-69.9166.2000113.8E113 T352 L353 S354 R371 Y374 L375E113-L350 HydrophobicContact CG-CD1 3.74Å; L350-T352 VanDerWaalsContact C-N 3.27Å; L350-T352 PolarHBondContact O-N 3.23Å; L350-L353 PolarHBondContact O-N 2.86Å; L350-S354 PolarHBondContact O-N 2.66Å; L350-S354 VanDerWaalsContact O-N 3.16Å; L350-S354 PolarHBondContact O-OG 2.66Å; L350-R371 HydrophobicContact CD2-CG 4.01Å; L350-Y374 HydrophobicContact CD1-CD1 4.21Å; L350-Y374 HydrophobicContact CD1-CE1 4.27Å; L350-Y374 HydrophobicContact CD2-CD1 3.77Å; L350-Y374 HydrophobicContact CD2-CE1 4.44Å; L350-Y374 HydrophobicContact CG-CD1 3.94Å; L350-Y374 HydrophobicContact CG-CE1 4.11Å; L350-L375 HydrophobicContact CD1-CD2 3.73Å; L350-L375 HydrophobicContact CD1-CG 4.46Å; L350-L375 HydrophobicContact CD2-CG 4.42Å
351P95.9Very high94.7Very high65 Ų6544.3 Ų44.342%0.42226%0.259SS..Hα-helixtrans-60.3-38.2173-24.435.1000112.6L353 S354 V355P351-L353 VanDerWaalsContact C-N 3.33Å; P351-L353 PolarHBondContact O-N 2.83Å; P351-S354 WeakPolarHBondContact O-CB 3.32Å; P351-S354 PolarHBondContact O-N 2.99Å; P351-V355 WeakPolarHBondContact O-CG2 3.23Å; P351-V355 PolarHBondContact O-N 2.74Å; P351-V355 VanDerWaalsContact O-N 3.11Å
352T96.7Very high94.9Very high0 Ų043 Ų430%025%0.254CS..Hα-helixtrans-64.4-40.1177.7-54.80000111.1V330 Q334 L344 S346 S348 L349 L350 S354 V355 I356V330-T352 HydrophobicContact CG1-CG2 3.54Å; Q334-T352 HydrophobicContact CG-CG2 3.53Å; L344-T352 HydrophobicContact CD2-CG2 3.97Å; S346-T352 WeakPolarHBondContact CB-OG1 3.45Å; S348-T352 WeakPolarHBondContact O-CB 3.36Å; S348-T352 PolarHBondContact O-N 3.23Å; S348-T352 PolarHBondContact O-OG1 3.08Å; L349-T352 WeakPolarHBondContact O-CB 3.32Å; L349-T352 PolarHBondContact O-N 3.47Å; L350-T352 VanDerWaalsContact C-N 3.27Å; L350-T352 PolarHBondContact O-N 3.23Å; T352-S354 VanDerWaalsContact C-N 3.32Å; T352-S354 PolarHBondContact O-N 3.37Å; T352-V355 WeakPolarHBondContact O-CB 3.42Å; T352-V355 PolarHBondContact O-N 2.78Å; T352-V355 VanDerWaalsContact O-N 3.11Å; T352-I356 HydrophobicContact CG2-CD1 4.13Å; T352-I356 HydrophobicContact CG2-CG1 4.47Å; T352-I356 WeakPolarHBondContact O-CG1 3.32Å; T352-I356 PolarHBondContact O-N 3.37Å
353L96.5Very high95Very high4 Ų441.9 Ų41.92%0.02125%0.247CC..Hα-helixtrans-63.4-37.6177.1-16865.4000112.1V330 L349 L350 P351 V355 I356 A357 A367 L370 R371V330-L353 HydrophobicContact CG2-CD1 3.88Å; L349-L353 PolarHBondContact O-N 2.81Å; L350-L353 PolarHBondContact O-N 2.86Å; P351-L353 VanDerWaalsContact C-N 3.33Å; P351-L353 PolarHBondContact O-N 2.83Å; L353-V355 VanDerWaalsContact C-N 3.34Å; L353-I356 PolarHBondContact O-N 3.29Å; L353-A357 PolarHBondContact O-N 3.07Å; L353-A357 VanDerWaalsContact O-N 3.08Å; L353-A367 WeakPolarHBondContact CD2-O 3.36Å; L353-L370 HydrophobicContact CD1-CB 4.15Å; L353-L370 HydrophobicContact CD1-CD1 4.01Å; L353-L370 HydrophobicContact CD2-CB 3.88Å; L353-R371 HydrophobicContact CD2-CB 3.77Å
354S95.8Very high95Very high67 Ų6746.1 Ų46.147%0.46926%0.261SS..Hα-helixtrans-63.3-38.3171.5-590000112.5L350 P351 T352 A357 A358L350-S354 PolarHBondContact O-N 2.66Å; L350-S354 VanDerWaalsContact O-N 3.16Å; L350-S354 PolarHBondContact O-OG 2.66Å; P351-S354 WeakPolarHBondContact O-CB 3.32Å; P351-S354 PolarHBondContact O-N 2.99Å; T352-S354 VanDerWaalsContact C-N 3.32Å; T352-S354 PolarHBondContact O-N 3.37Å; S354-A357 PolarHBondContact O-N 3.03Å; S354-A358 PolarHBondContact O-N 3.08Å
355V95.8Very high95.1Very high32 Ų3250.6 Ų50.619%0.19428%0.284CS..Hα-helixtrans-68.8-40.3175.1174.80000111.4S343 L344 P351 T352 L353 A357 A358 L359S343-V355 VanDerWaalsContact OG-CG1 3.31Å; S343-V355 WeakPolarHBondContact OG-CG1 3.45Å; L344-V355 HydrophobicContact CD2-CB 4.03Å; L344-V355 HydrophobicContact CD2-CG1 3.53Å; L344-V355 HydrophobicContact CG-CG1 3.86Å; P351-V355 WeakPolarHBondContact O-CG2 3.23Å; P351-V355 PolarHBondContact O-N 2.74Å; P351-V355 VanDerWaalsContact O-N 3.11Å; T352-V355 WeakPolarHBondContact O-CB 3.42Å; T352-V355 PolarHBondContact O-N 2.78Å; T352-V355 VanDerWaalsContact O-N 3.11Å; L353-V355 VanDerWaalsContact C-N 3.34Å; V355-A357 VanDerWaalsContact C-N 3.27Å; V355-A357 PolarHBondContact O-N 2.91Å; V355-A358 PolarHBondContact O-N 2.93Å; V355-L359 HydrophobicContact CG1-CD1 3.73Å; V355-L359 HydrophobicContact CG1-CG 4.13Å; V355-L359 WeakPolarHBondContact O-CB 3.31Å; V355-L359 WeakPolarHBondContact O-CG 3.21Å; V355-L359 PolarHBondContact O-N 2.97Å
356I96.6Very high95.2Very high0 Ų049.9 Ų49.90%028%0.282CS..Hα-helixtrans-56.8-43.2174.9-73.2167.6000110.5V330 F333 L344 T352 L353 H360 L361 L362V330-I356 HydrophobicContact CB-CD1 4.33Å; V330-I356 HydrophobicContact CG1-CD1 4Å; V330-I356 HydrophobicContact CG2-CD1 4.33Å; F333-I356 HydrophobicContact CB-CD1 3.83Å; F333-I356 HydrophobicContact CB-CG1 4.03Å; F333-I356 HydrophobicContact CD2-CD1 3.8Å; F333-I356 HydrophobicContact CD2-CG1 4.34Å; F333-I356 HydrophobicContact CD2-CG2 4.21Å; F333-I356 HydrophobicContact CE2-CG2 4.34Å; F333-I356 HydrophobicContact CG-CD1 4.1Å; F333-I356 HydrophobicContact CG-CG1 4.29Å; L344-I356 HydrophobicContact CD2-CG1 3.73Å; T352-I356 HydrophobicContact CG2-CD1 4.13Å; T352-I356 HydrophobicContact CG2-CG1 4.47Å; T352-I356 WeakPolarHBondContact O-CG1 3.32Å; T352-I356 PolarHBondContact O-N 3.37Å; L353-I356 PolarHBondContact O-N 3.29Å; I356-H360 PolarHBondContact O-N 2.84Å; I356-L361 HydrophobicContact CG2-CB 3.99Å; I356-L361 PolarHBondContact O-N 2.98Å; I356-L362 HydrophobicContact CG2-CB 3.94Å; I356-L362 HydrophobicContact CG2-CD1 3.89Å; I356-L362 HydrophobicContact CG2-CG 3.82Å
357A95.2Very high95.4Very high22 Ų2248.6 Ų48.618%0.18227%0.273CS..Hα-helixtrans-64.1-49174.400000112L353 S354 V355 L359 H360 A367L353-A357 PolarHBondContact O-N 3.07Å; L353-A357 VanDerWaalsContact O-N 3.08Å; S354-A357 PolarHBondContact O-N 3.03Å; V355-A357 VanDerWaalsContact C-N 3.27Å; V355-A357 PolarHBondContact O-N 2.91Å; A357-L359 VanDerWaalsContact C-N 3.25Å; A357-L359 PolarHBondContact O-N 2.91Å; A357-H360 PolarHBondContact O-N 2.87Å; A357-A367 HydrophobicContact CB-CB 3.69Å
358A95Very high95.5Very high72 Ų7249 Ų4960%0.59528%0.279SS*.Hα-helixtrans-62-31.7-179.400000113.3S354 V355 H360S354-A358 PolarHBondContact O-N 3.08Å; V355-A358 PolarHBondContact O-N 2.93Å; A358-H360 VanDerWaalsContact C-N 3.29Å; A358-H360 PolarHBondContact O-CE1 2.55Å; A358-H360 PolarHBondContact O-ND1 3.49Å; A358-H360 VanDerWaalsContact O-ND1 3.15Å
359L94.6Very high95.6Very high60 Ų6049.4 Ų49.431%0.31428%0.277SS..THydrogen-bonded Turntrans-85.11.9175.2-66.5177.4000113.5E341 L344 V355 A357 L361E341-L359 HydrophobicContact CB-CD1 4.17Å; E341-L359 HydrophobicContact CG-CD1 4.02Å; L344-L359 HydrophobicContact CD1-CD1 3.84Å; L344-L359 HydrophobicContact CD2-CD1 4.37Å; L344-L359 HydrophobicContact CG-CD1 3.93Å; V355-L359 HydrophobicContact CG1-CD1 3.73Å; V355-L359 HydrophobicContact CG1-CG 4.13Å; V355-L359 WeakPolarHBondContact O-CB 3.31Å; V355-L359 WeakPolarHBondContact O-CG 3.21Å; V355-L359 PolarHBondContact O-N 2.97Å; A357-L359 VanDerWaalsContact C-N 3.25Å; A357-L359 PolarHBondContact O-N 2.91Å; L359-L361 HydrophobicContact CB-CD1 4.12Å; L359-L361 HydrophobicContact CB-CG 3.86Å; L359-L361 HydrophobicContact CD1-CD1 4.21Å; L359-L361 PolarHBondContact O-N 3.5Å
360H94Very high95.7Very high153 Ų15349.4 Ų49.471%0.70828%0.277SS*.THydrogen-bonded Turntrans5631.1-178.7-53.874.7000113.4I356 A357 A358 L362I356-H360 PolarHBondContact O-N 2.84Å; A357-H360 PolarHBondContact O-N 2.87Å; A358-H360 VanDerWaalsContact C-N 3.29Å; A358-H360 PolarHBondContact O-CE1 2.55Å; A358-H360 PolarHBondContact O-ND1 3.49Å; A358-H360 VanDerWaalsContact O-ND1 3.15Å; H360-L362 VanDerWaalsContact C-N 3.35Å
361L93.5Very high95.7Very high50 Ų5051.6 Ų51.626%0.26228%0.284SS..SBendtrans-79.2-23.8177.4-64.3178.8000112.1F333 R337 L344 I356 L359F333-L361 HydrophobicContact CB-CD1 4.49Å; F333-L361 HydrophobicContact CD1-CB 3.82Å; F333-L361 HydrophobicContact CD1-CD1 4.01Å; F333-L361 HydrophobicContact CD1-CG 4.41Å; F333-L361 HydrophobicContact CE1-CB 3.74Å; F333-L361 WeakPolarHBondContact CE1-O 3.46Å; F333-L361 HydrophobicContact CZ-CB 4.42Å; F333-L361 WeakPolarHBondContact CZ-O 3.32Å; R337-L361 HydrophobicContact CB-CD1 4.42Å; R337-L361 HydrophobicContact CG-CD1 4.12Å; R337-L361 HydrophobicContact CG-CD2 4.29Å; L344-L361 HydrophobicContact CD1-CD1 3.76Å; I356-L361 HydrophobicContact CG2-CB 3.99Å; I356-L361 PolarHBondContact O-N 2.98Å; L359-L361 HydrophobicContact CB-CD1 4.12Å; L359-L361 HydrophobicContact CB-CG 3.86Å; L359-L361 HydrophobicContact CD1-CD1 4.21Å; L359-L361 PolarHBondContact O-N 3.5Å
362L94.3Very high95.8Very high23 Ų2351.3 Ų51.312%0.1228%0.281CS..SBendtrans-127.2159.6162.8-74177.7000108.5I329 F333 I356 H360 D366 L370 V431I329-L362 HydrophobicContact CG2-CD1 4.24Å; F333-L362 HydrophobicContact CE2-CD1 3.87Å; F333-L362 HydrophobicContact CE2-CD2 3.91Å; F333-L362 HydrophobicContact CE2-CG 3.64Å; F333-L362 HydrophobicContact CZ-CD1 4.43Å; F333-L362 HydrophobicContact CZ-CD2 3.71Å; F333-L362 HydrophobicContact CZ-CG 3.71Å; I356-L362 HydrophobicContact CG2-CB 3.94Å; I356-L362 HydrophobicContact CG2-CD1 3.89Å; I356-L362 HydrophobicContact CG2-CG 3.82Å; H360-L362 VanDerWaalsContact C-N 3.35Å; L362-D366 HydrophobicContact CB-CB 4.29Å; L362-L370 HydrophobicContact CD1-CD1 3.68Å; L362-V431 HydrophobicContact CD1-CG1 4.25Å; L362-V431 HydrophobicContact CD2-CG1 4.03Å
363S94Very high95.9Very high58 Ų5851.3 Ų51.341%0.40628%0.281SS..  trans-62.9149.2168.976.50000110.2N365 D366 A367S363-N365 PolarHBondContact O-N 2.98Å; S363-D366 PolarHBondContact O-N 3.45Å; S363-D366 PolarHBondContact OG-N 3.33Å; S363-D366 VanDerWaalsContact OG-N 3.11Å; S363-D366 PolarHBondContact OG-OD1 2.8Å; S363-D366 PolarHBondContact OG-OD2 3Å; S363-A367 PolarHBondContact O-N 2.94Å
364E93Very high96Very high148 Ų14851.1 Ų51.169%0.69228%0.28SS*.Hα-helixtrans-55-37176.4-66.4-175.9174.400111.6E368E364-E368 WeakPolarHBondContact O-CB 3.36Å; E364-E368 PolarHBondContact O-N 3.03Å
365N95.6Very high96.1Very high93 Ų9349.5 Ų49.550%0.49727%0.266SS..Hα-helixtrans-62.4-45.6175.2173.175.5000112.3S363 Q369S363-N365 PolarHBondContact O-N 2.98Å; N365-Q369 PolarHBondContact ND2-NE2 3.46Å; N365-Q369 WeakPolarHBondContact O-CB 3.44Å; N365-Q369 VanDerWaalsContact O-CG 3.23Å; N365-Q369 WeakPolarHBondContact O-CG 3.39Å; N365-Q369 PolarHBondContact O-N 3.25Å; N365-Q369 PolarHBondContact OD1-NE2 2.96Å; N365-Q369 VanDerWaalsContact OD1-NE2 3.1Å
366D96.6Very high96.2Very high17 Ų1749.2 Ų49.29%0.09126%0.262CS..Hα-helixtrans-67.5-41.7-180-61.4-31.4000111.5L362 S363 Q369 L370 R430 V431L362-D366 HydrophobicContact CB-CB 4.29Å; S363-D366 PolarHBondContact O-N 3.45Å; S363-D366 PolarHBondContact OG-N 3.33Å; S363-D366 VanDerWaalsContact OG-N 3.11Å; S363-D366 PolarHBondContact OG-OD1 2.8Å; S363-D366 PolarHBondContact OG-OD2 3Å; D366-Q369 PolarHBondContact O-N 3.4Å; D366-L370 WeakPolarHBondContact O-CB 3.23Å; D366-L370 WeakPolarHBondContact O-CG 3.44Å; D366-L370 PolarHBondContact O-N 3.38Å; D366-R430 IonicContact OD1-CZ 3.19Å; D366-R430 IonicContact OD1-NH1 3.69Å; D366-R430 PolarHBondContact OD1-NH1 3.23Å; D366-R430 VanDerWaalsContact OD1-NH1 3.14Å; D366-R430 IonicContact OD1-NH2 2.72Å; D366-R430 PolarHBondContact OD1-NH2 3.16Å; D366-V431 HydrophobicContact CB-CG2 3.98Å
367A96.7Very high96.2Very high6 Ų649.2 Ų49.25%0.0526%0.262CS..Hα-helixtrans-62.5-43.6177.900000111.7L353 A357 S363 L370 R371L353-A367 WeakPolarHBondContact CD2-O 3.36Å; A357-A367 HydrophobicContact CB-CB 3.69Å; S363-A367 PolarHBondContact O-N 2.94Å; A367-L370 PolarHBondContact O-N 3.21Å; A367-R371 WeakPolarHBondContact O-CB 3.48Å; A367-R371 PolarHBondContact O-N 3.06Å
368E97.3Very high96.3Very high104 Ų10448.1 Ų48.149%0.48625%0.253SS..Hα-helixtrans-67.5-42.4176.6-177.656.9-159.100111.7E364 L370 R371 V372E364-E368 WeakPolarHBondContact O-CB 3.36Å; E364-E368 PolarHBondContact O-N 3.03Å; E368-L370 VanDerWaalsContact C-N 3.3Å; E368-L370 PolarHBondContact O-N 2.91Å; E368-R371 WeakPolarHBondContact O-CB 3.33Å; E368-R371 PolarHBondContact O-N 3.5Å; E368-R371 VanDerWaalsContact O-N 3.14Å; E368-V372 HydrophobicContact CG-CG2 4.45Å; E368-V372 WeakPolarHBondContact O-CG2 3.43Å; E368-V372 PolarHBondContact O-N 3.35Å; E368-V372 VanDerWaalsContact OE1-CG2 3.29Å; E368-V372 WeakPolarHBondContact OE1-CG2 3.24Å
369Q97.5Very high96.5Very high46 Ų4647.8 Ų47.822%0.21524%0.237CC..Hα-helixtrans-58.9-42.1175.5-76.1-179.712.300112.1N365 D366 A373 N427 R430N365-Q369 PolarHBondContact ND2-NE2 3.46Å; N365-Q369 WeakPolarHBondContact O-CB 3.44Å; N365-Q369 VanDerWaalsContact O-CG 3.23Å; N365-Q369 WeakPolarHBondContact O-CG 3.39Å; N365-Q369 PolarHBondContact O-N 3.25Å; N365-Q369 PolarHBondContact OD1-NE2 2.96Å; N365-Q369 VanDerWaalsContact OD1-NE2 3.1Å; D366-Q369 PolarHBondContact O-N 3.4Å; Q369-A373 WeakPolarHBondContact O-CB 3.23Å; Q369-A373 PolarHBondContact O-N 3.25Å; Q369-N427 HydrophobicContact CB-CB 4.33Å; Q369-R430 VanDerWaalsContact OE1-NH2 3.07Å
370L98.1Very high96.6Very high1 Ų145 Ų451%0.00522%0.222CC..Hα-helixtrans-65.3-40.9174.7-74.3175.1000112.1I326 I329 L353 L362 D366 A367 E368 A373 Y374 V428 V431I326-L370 HydrophobicContact CG1-CD2 4.32Å; I326-L370 HydrophobicContact CG2-CD2 4.46Å; I329-L370 HydrophobicContact CD1-CD1 4.43Å; I329-L370 HydrophobicContact CD1-CD2 3.9Å; I329-L370 HydrophobicContact CG2-CD1 3.88Å; L353-L370 HydrophobicContact CD1-CB 4.15Å; L353-L370 HydrophobicContact CD1-CD1 4.01Å; L353-L370 HydrophobicContact CD2-CB 3.88Å; L362-L370 HydrophobicContact CD1-CD1 3.68Å; D366-L370 WeakPolarHBondContact O-CB 3.23Å; D366-L370 WeakPolarHBondContact O-CG 3.44Å; D366-L370 PolarHBondContact O-N 3.38Å; A367-L370 PolarHBondContact O-N 3.21Å; E368-L370 VanDerWaalsContact C-N 3.3Å; E368-L370 PolarHBondContact O-N 2.91Å; L370-A373 PolarHBondContact O-N 3.39Å; L370-Y374 VanDerWaalsContact O-CB 3.29Å; L370-Y374 WeakPolarHBondContact O-CB 3.47Å; L370-Y374 PolarHBondContact O-N 3.44Å; L370-V428 HydrophobicContact CD2-CB 4.36Å; L370-V428 HydrophobicContact CD2-CG1 4.3Å; L370-V428 HydrophobicContact CD2-CG2 4.05Å; L370-V431 HydrophobicContact CD1-CG1 4.03Å
371R98Very high96.8Very high62 Ų6237.7 Ų37.723%0.23419%0.188CC..Hα-helixtrans-60.5-50.7178.3178.1174.2166.474.67.4110.7E113 L350 L353 A367 E368 Y374 L375E113-R371 VanDerWaalsContact CD-NH2 3.3Å; E113-R371 IonicContact OE1-CZ 3.71Å; E113-R371 IonicContact OE1-NH1 3Å; E113-R371 PolarHBondContact OE1-NH1 3.4Å; E113-R371 IonicContact OE1-NH2 3.33Å; E113-R371 PolarHBondContact OE1-NH2 3.1Å; E113-R371 VanDerWaalsContact OE1-NH2 3.07Å; E113-R371 IonicContact OE2-CZ 2.7Å; E113-R371 IonicContact OE2-NH2 3.93Å; E113-R371 PolarHBondContact OE2-NH2 3.27Å; L350-R371 HydrophobicContact CD2-CG 4.01Å; L353-R371 HydrophobicContact CD2-CB 3.77Å; A367-R371 WeakPolarHBondContact O-CB 3.48Å; A367-R371 PolarHBondContact O-N 3.06Å; E368-R371 WeakPolarHBondContact O-CB 3.33Å; E368-R371 PolarHBondContact O-N 3.5Å; E368-R371 VanDerWaalsContact O-N 3.14Å; R371-Y374 PolarHBondContact O-N 2.86Å; R371-L375 HydrophobicContact CG-CD1 4.31Å; R371-L375 WeakPolarHBondContact O-CG 3.31Å; R371-L375 PolarHBondContact O-N 3.46Å; R371-L375 VanDerWaalsContact O-N 3.09Å
372V97.9Very high97Very high59 Ų5935.3 Ų35.336%0.35818%0.176SC..Hα-helixtrans-65.9-43.9-179.6-177.10000110.7E368 Y374 L375 F376 H424E368-V372 HydrophobicContact CG-CG2 4.45Å; E368-V372 WeakPolarHBondContact O-CG2 3.43Å; E368-V372 PolarHBondContact O-N 3.35Å; E368-V372 VanDerWaalsContact OE1-CG2 3.29Å; E368-V372 WeakPolarHBondContact OE1-CG2 3.24Å; V372-Y374 VanDerWaalsContact C-N 3.34Å; V372-Y374 PolarHBondContact O-N 2.93Å; V372-L375 PolarHBondContact O-N 3.05Å; V372-F376 VanDerWaalsContact O-CB 3.31Å; V372-F376 WeakPolarHBondContact O-CB 3.36Å; V372-F376 PolarHBondContact O-N 3.2Å; V372-H424 VanDerWaalsContact CG1-CE1 3.45Å; V372-H424 WeakPolarHBondContact CG1-CE1 3.48Å
373A98.1Very high97.1Very high0 Ų034.2 Ų34.20%017%0.17CC..Hα-helixtrans-60.2-43.3176.800000111.9I326 Q369 L370 F376 L377 H424 V428I326-A373 HydrophobicContact CD1-CB 4.24Å; Q369-A373 WeakPolarHBondContact O-CB 3.23Å; Q369-A373 PolarHBondContact O-N 3.25Å; L370-A373 PolarHBondContact O-N 3.39Å; A373-F376 PolarHBondContact O-N 3.34Å; A373-L377 WeakPolarHBondContact O-CB 3.45Å; A373-L377 WeakPolarHBondContact O-CD1 3.46Å; A373-L377 WeakPolarHBondContact O-CG 3.35Å; A373-L377 PolarHBondContact O-N 3.39Å; A373-H424 HydrophobicContact CB-CB 3.88Å; A373-V428 HydrophobicContact CB-CG2 3.58Å
374Y98Very high97.3Very high0 Ų032.1 Ų32.10%015%0.154CC..Hα-helixtrans-60.1-52.7177.8-173.4-109.9000111.6L116 E167 I323 I326 L349 L350 L370 R371 V372 F376 L377 R378L116-Y374 HydrophobicContact CD1-CE1 4.5Å; E167-Y374 VanDerWaalsContact CD-OH 3.26Å; E167-Y374 PolarHBondContact OE2-OH 3.3Å; I323-Y374 HydrophobicContact CG2-CE2 4.07Å; I326-Y374 HydrophobicContact CB-CD2 4.28Å; I326-Y374 HydrophobicContact CD1-CD2 4.08Å; I326-Y374 HydrophobicContact CG2-CD2 3.94Å; I326-Y374 HydrophobicContact CG2-CG 4.39Å; L349-Y374 HydrophobicContact CB-CE1 4.46Å; L349-Y374 HydrophobicContact CD1-CD2 4.09Å; L349-Y374 HydrophobicContact CD1-CE2 3.68Å; L349-Y374 HydrophobicContact CD2-CD1 3.96Å; L349-Y374 HydrophobicContact CD2-CD2 4.16Å; L349-Y374 HydrophobicContact CD2-CE1 4.08Å; L349-Y374 HydrophobicContact CD2-CE2 4.32Å; L349-Y374 HydrophobicContact CD2-CG 3.98Å; L350-Y374 HydrophobicContact CD1-CD1 4.21Å; L350-Y374 HydrophobicContact CD1-CE1 4.27Å; L350-Y374 HydrophobicContact CD2-CD1 3.77Å; L350-Y374 HydrophobicContact CD2-CE1 4.44Å; L350-Y374 HydrophobicContact CG-CD1 3.94Å; L350-Y374 HydrophobicContact CG-CE1 4.11Å; L370-Y374 VanDerWaalsContact O-CB 3.29Å; L370-Y374 WeakPolarHBondContact O-CB 3.47Å; L370-Y374 PolarHBondContact O-N 3.44Å; R371-Y374 PolarHBondContact O-N 2.86Å; V372-Y374 VanDerWaalsContact C-N 3.34Å; V372-Y374 PolarHBondContact O-N 2.93Å; Y374-F376 VanDerWaalsContact C-N 3.28Å; Y374-F376 PolarHBondContact O-N 3.38Å; Y374-L377 PolarHBondContact O-N 2.96Å; Y374-R378 HydrophobicContact CD1-CG 4.06Å; Y374-R378 HydrophobicContact CD2-CG 4.11Å; Y374-R378 HydrophobicContact CE1-CG 3.76Å; Y374-R378 HydrophobicContact CE2-CG 3.77Å; Y374-R378 HydrophobicContact CG-CG 4.25Å; Y374-R378 WeakPolarHBondContact O-CB 3.42Å; Y374-R378 VanDerWaalsContact O-CG 3.26Å; Y374-R378 WeakPolarHBondContact O-CG 3.32Å; Y374-R378 PolarHBondContact O-N 2.95Å; Y374-R378 PolarHBondContact OH-NH1 3.1Å
375L97.9Very high97.5Very high34 Ų3425.2 Ų25.218%0.17812%0.122CC..Hα-helixtrans-61.4-37.9179.8-70.2173.4000112.1E112 E113 L350 R371 V372 R379E112-L375 HydrophobicContact CB-CD2 4.45Å; E113-L375 HydrophobicContact CG-CD1 4.42Å; E113-L375 HydrophobicContact CG-CD2 3.54Å; L350-L375 HydrophobicContact CD1-CD2 3.73Å; L350-L375 HydrophobicContact CD1-CG 4.46Å; L350-L375 HydrophobicContact CD2-CG 4.42Å; R371-L375 HydrophobicContact CG-CD1 4.31Å; R371-L375 WeakPolarHBondContact O-CG 3.31Å; R371-L375 PolarHBondContact O-N 3.46Å; R371-L375 VanDerWaalsContact O-N 3.09Å; V372-L375 PolarHBondContact O-N 3.05Å; L375-R379 VanDerWaalsContact O-CB 3.23Å; L375-R379 WeakPolarHBondContact O-CB 3.46Å; L375-R379 PolarHBondContact O-N 2.97Å
376F98.2Very high97.6Very high25 Ų2520.8 Ų20.811%0.1110%0.098CC..Hα-helixtrans-62.9-50175.4-171.4-82.5000111.9V372 A373 Y374 R379 L380 M409 F411 L417 A420 L421 H424V372-F376 VanDerWaalsContact O-CB 3.31Å; V372-F376 WeakPolarHBondContact O-CB 3.36Å; V372-F376 PolarHBondContact O-N 3.2Å; A373-F376 PolarHBondContact O-N 3.34Å; Y374-F376 VanDerWaalsContact C-N 3.28Å; Y374-F376 PolarHBondContact O-N 3.38Å; F376-R379 PolarHBondContact O-N 2.69Å; F376-L380 HydrophobicContact CE1-CD2 4.43Å; F376-L380 WeakPolarHBondContact O-CB 3.25Å; F376-L380 PolarHBondContact O-N 3.38Å; F376-M409 HydrophobicContact CD1-CE 4.02Å; F376-M409 HydrophobicContact CD2-CE 3.72Å; F376-M409 HydrophobicContact CE1-CE 3.83Å; F376-M409 HydrophobicContact CE2-CE 3.53Å; F376-M409 HydrophobicContact CG-CE 3.97Å; F376-M409 HydrophobicContact CZ-CE 3.6Å; F376-F411 AromaticContact CE2-CE2 3.66Å; F376-F411 HydrophobicContact CE2-CE2 3.66Å; F376-F411 AromaticContact CE2-CZ 3.82Å; F376-F411 HydrophobicContact CE2-CZ 3.82Å; F376-F411 AromaticContact CZ-CE2 3.85Å; F376-F411 HydrophobicContact CZ-CE2 3.85Å; F376-F411 HydrophobicContact CZ-CZ 4.14Å; F376-L417 HydrophobicContact CE1-CD1 4.3Å; F376-L417 HydrophobicContact CZ-CD1 3.78Å; F376-A420 HydrophobicContact CE2-CB 4.22Å; F376-A420 HydrophobicContact CZ-CB 3.98Å; F376-L421 HydrophobicContact CD1-CD1 4.32Å; F376-L421 HydrophobicContact CE1-CB 3.97Å; F376-L421 HydrophobicContact CE1-CD1 4.07Å; F376-H424 AromaticContact CD1-CD2 3.9Å; F376-H424 AromaticContact CD2-CD2 3.75Å; F376-H424 AromaticContact CD2-NE2 3.71Å; F376-H424 AromaticContact CG-CD2 3.61Å; F376-H424 AromaticContact CG-NE2 3.95Å
377L97.8Very high97.6Very high0 Ų020 Ų200%09%0.094CC..Hα-helixtrans-65.5-42.5-179.1-68.2164.8000111.7I316 I323 I326 A373 Y374 L380 E381 L421 M425I316-L377 HydrophobicContact CG2-CB 4.03Å; I316-L377 HydrophobicContact CG2-CD2 3.49Å; I316-L377 VanDerWaalsContact CG2-CD2 3.49Å; I316-L377 HydrophobicContact CG2-CG 4.35Å; I323-L377 HydrophobicContact CD1-CB 4.18Å; I323-L377 HydrophobicContact CG1-CB 3.65Å; I323-L377 HydrophobicContact CG1-CD1 4.2Å; I323-L377 HydrophobicContact CG1-CG 4.47Å; I326-L377 HydrophobicContact CD1-CD1 3.7Å; A373-L377 WeakPolarHBondContact O-CB 3.45Å; A373-L377 WeakPolarHBondContact O-CD1 3.46Å; A373-L377 WeakPolarHBondContact O-CG 3.35Å; A373-L377 PolarHBondContact O-N 3.39Å; Y374-L377 PolarHBondContact O-N 2.96Å; L377-L380 PolarHBondContact O-N 3.47Å; L377-E381 WeakPolarHBondContact O-CB 3.49Å; L377-E381 PolarHBondContact O-N 3.03Å; L377-L421 HydrophobicContact CD2-CD1 3.39Å; L377-M425 HydrophobicContact CD2-CG 4.15Å; L377-M425 HydrophobicContact CD2-SD 4.5Å
378R97.3Very high97.6Very high0 Ų023 Ų230%011%0.109CC..Hα-helixtrans-64.7-44.5177.5-67.9-51.1-56-72.2-7.4111.8E112 L116 E167 L168 N169 Y374 L380 E381 N382E112-R378 HydrophobicContact CG-CB 4.45Å; L116-R378 VanDerWaalsContact CD2-CZ 3.46Å; E167-R378 PolarHBondContact O-NH1 2.86Å; E167-R378 PolarHBondContact O-NH2 3.25Å; L168-R378 PolarHBondContact O-NH2 3.2Å; N169-R378 PolarHBondContact OD1-NE 3.04Å; N169-R378 PolarHBondContact OD1-NH2 3.47Å; Y374-R378 HydrophobicContact CD1-CG 4.06Å; Y374-R378 HydrophobicContact CD2-CG 4.11Å; Y374-R378 HydrophobicContact CE1-CG 3.76Å; Y374-R378 HydrophobicContact CE2-CG 3.77Å; Y374-R378 HydrophobicContact CG-CG 4.25Å; Y374-R378 WeakPolarHBondContact O-CB 3.42Å; Y374-R378 VanDerWaalsContact O-CG 3.26Å; Y374-R378 WeakPolarHBondContact O-CG 3.32Å; Y374-R378 PolarHBondContact O-N 2.95Å; Y374-R378 PolarHBondContact OH-NH1 3.1Å; R378-L380 PolarHBondContact O-N 3.39Å; R378-E381 IonicContact NE-OE2 3.1Å; R378-E381 PolarHBondContact O-N 2.89Å; R378-N382 VanDerWaalsContact O-CB 3.3Å; R378-N382 WeakPolarHBondContact O-CB 3.44Å; R378-N382 VanDerWaalsContact O-CG 3.31Å; R378-N382 PolarHBondContact O-N 3.47Å; R378-N382 PolarHBondContact O-ND2 3.23Å
379R97.9Very high97.5Very high65 Ų6519 Ų1925%0.2459%0.091CC..Hα-helixtrans-60.9-45.6175-173.6176.7174.5179.7-4.3111.7E112 L375 F376 L383 A408 M409E112-R379 HydrophobicContact CB-CB 4.35Å; E112-R379 VanDerWaalsContact CD-CA 3.47Å; E112-R379 HydrophobicContact CG-CB 3.88Å; L375-R379 VanDerWaalsContact O-CB 3.23Å; L375-R379 WeakPolarHBondContact O-CB 3.46Å; L375-R379 PolarHBondContact O-N 2.97Å; F376-R379 PolarHBondContact O-N 2.69Å; R379-L383 HydrophobicContact CG-CD1 3.88Å; R379-L383 HydrophobicContact CG-CG 4.39Å; R379-L383 VanDerWaalsContact O-CB 3.22Å; R379-L383 WeakPolarHBondContact O-CB 3.49Å; R379-L383 VanDerWaalsContact O-CG 3.27Å; R379-L383 WeakPolarHBondContact O-CG 3.46Å; R379-L383 PolarHBondContact O-N 3.14Å; R379-A408 PolarHBondContact NH2-O 2.97Å; R379-M409 HydrophobicContact CB-SD 4.12Å; R379-M409 HydrophobicContact CG-SD 3.69Å
380L97.8Very high97.2Very high1 Ų122.4 Ų22.41%0.00511%0.107CC..Hα-helixtrans-62.3-45.5178.6-178.862.1000111.9I316 F376 L377 R378 L384 L395 L405 M409 L417 L421I316-L380 HydrophobicContact CD1-CD2 3.9Å; I316-L380 HydrophobicContact CD1-CG 3.84Å; I316-L380 HydrophobicContact CG1-CD2 4.47Å; F376-L380 HydrophobicContact CE1-CD2 4.43Å; F376-L380 WeakPolarHBondContact O-CB 3.25Å; F376-L380 PolarHBondContact O-N 3.38Å; L377-L380 PolarHBondContact O-N 3.47Å; R378-L380 PolarHBondContact O-N 3.39Å; L380-L384 VanDerWaalsContact O-CB 3.32Å; L380-L384 WeakPolarHBondContact O-CB 3.49Å; L380-L384 PolarHBondContact O-N 3.14Å; L380-L395 HydrophobicContact CD2-CD2 3.95Å; L380-L395 HydrophobicContact CG-CD2 4.42Å; L380-L405 HydrophobicContact CD1-CB 4.4Å; L380-L405 HydrophobicContact CD1-CD1 4.07Å; L380-L405 HydrophobicContact CD1-CD2 4.25Å; L380-L405 HydrophobicContact CD1-CG 4.49Å; L380-M409 HydrophobicContact CB-CE 4.11Å; L380-M409 HydrophobicContact CB-SD 4.16Å; L380-M409 HydrophobicContact CD1-CG 3.96Å; L380-M409 HydrophobicContact CD1-SD 4.43Å; L380-L417 HydrophobicContact CD1-CD1 4.31Å; L380-L417 HydrophobicContact CD1-CD2 4.12Å; L380-L421 HydrophobicContact CD2-CD1 4Å; L380-L421 HydrophobicContact CD2-CD2 3.97Å
381E97Very high96.9Very high0 Ų025.5 Ų25.50%012%0.122CC..Hα-helixtrans-64.3-49.6177.8-173.7-177.9-151.300111.2N169 I316 I323 L377 R378 L383 L384 Q385 Q393N169-E381 PolarHBondContact ND2-OE1 3.27Å; N169-E381 PolarHBondContact ND2-OE2 2.89Å; N169-E381 PolarHBondContact OD1-OE2 3.5Å; I316-E381 HydrophobicContact CD1-CB 4.42Å; I323-E381 HydrophobicContact CD1-CB 4.33Å; I323-E381 WeakPolarHBondContact CD1-OE2 3.45Å; L377-E381 WeakPolarHBondContact O-CB 3.49Å; L377-E381 PolarHBondContact O-N 3.03Å; R378-E381 IonicContact NE-OE2 3.1Å; R378-E381 PolarHBondContact O-N 2.89Å; E381-L383 PolarHBondContact O-N 3.45Å; E381-L384 WeakPolarHBondContact O-CB 3.27Å; E381-L384 PolarHBondContact O-N 3.18Å; E381-L384 VanDerWaalsContact O-N 3.17Å; E381-Q385 HydrophobicContact CG-CG 4.45Å; E381-Q385 VanDerWaalsContact O-CG 3.26Å; E381-Q385 WeakPolarHBondContact O-CG 3.25Å; E381-Q385 PolarHBondContact O-N 3.41Å; E381-Q393 WeakPolarHBondContact OE1-CG 3.5Å
382N97.6Very high96.6Very high0 Ų024.3 Ų24.30%012%0.121CC..Hα-helixtrans-66-37.2-178.7-73.5-25000112.5E112 L116 N169 F170 R378 Q385 S386E112-N382 PolarHBondContact OE1-ND2 3.46Å; L116-N382 WeakPolarHBondContact CD2-ND2 3.45Å; N169-N382 VanDerWaalsContact CA-OD1 3.27Å; N169-N382 WeakPolarHBondContact CA-OD1 3.47Å; F170-N382 HydrophobicContact CB-CB 4.18Å; F170-N382 PolarHBondContact N-OD1 2.68Å; R378-N382 VanDerWaalsContact O-CB 3.3Å; R378-N382 WeakPolarHBondContact O-CB 3.44Å; R378-N382 VanDerWaalsContact O-CG 3.31Å; R378-N382 PolarHBondContact O-N 3.47Å; R378-N382 PolarHBondContact O-ND2 3.23Å; N382-Q385 PolarHBondContact O-N 3.3Å; N382-S386 WeakPolarHBondContact O-CB 3.5Å; N382-S386 PolarHBondContact O-N 3.45Å; N382-S386 PolarHBondContact O-OG 2.82Å; N382-S386 VanDerWaalsContact O-OG 3.08Å
383L97.8Very high96.3Very high0 Ų023.9 Ų23.90%012%0.115CC..Hα-helixtrans-62.6-43.9171.2-80.3172.8000111.6F38 Q105 R379 E381 S386 I387 L405 A408 M409F38-L383 HydrophobicContact CE1-CD2 3.92Å; F38-L383 HydrophobicContact CE2-CD2 4.49Å; F38-L383 HydrophobicContact CZ-CB 3.96Å; F38-L383 HydrophobicContact CZ-CD2 3.68Å; F38-L383 HydrophobicContact CZ-CG 4.39Å; F38-L383 WeakPolarHBondContact CZ-O 3.1Å; Q105-L383 HydrophobicContact CG-CD2 3.79Å; Q105-L383 HydrophobicContact CG-CG 4.14Å; R379-L383 HydrophobicContact CG-CD1 3.88Å; R379-L383 HydrophobicContact CG-CG 4.39Å; R379-L383 VanDerWaalsContact O-CB 3.22Å; R379-L383 WeakPolarHBondContact O-CB 3.49Å; R379-L383 VanDerWaalsContact O-CG 3.27Å; R379-L383 WeakPolarHBondContact O-CG 3.46Å; R379-L383 PolarHBondContact O-N 3.14Å; E381-L383 PolarHBondContact O-N 3.45Å; L383-S386 WeakPolarHBondContact CA-OG 3.27Å; L383-S386 PolarHBondContact O-N 3.29Å; L383-S386 PolarHBondContact O-OG 3.47Å; L383-I387 WeakPolarHBondContact O-CG1 3.47Å; L383-I387 PolarHBondContact O-N 3.48Å; L383-L405 HydrophobicContact CB-CD2 4.01Å; L383-A408 HydrophobicContact CD1-CB 3.76Å; L383-A408 HydrophobicContact CD2-CB 3.91Å; L383-A408 HydrophobicContact CG-CB 4.42Å; L383-M409 HydrophobicContact CD1-CG 4Å; L383-M409 HydrophobicContact CD1-SD 3.76Å
384L97.3Very high96Very high13 Ų1327.2 Ų27.27%0.06814%0.136CC..Hα-helixtrans-61.7-44.9176.7172.361.6000111.5I316 L380 E381 S386 I387 T392 T394 P396 L405I316-L384 HydrophobicContact CD1-CD2 4.46Å; L380-L384 VanDerWaalsContact O-CB 3.32Å; L380-L384 WeakPolarHBondContact O-CB 3.49Å; L380-L384 PolarHBondContact O-N 3.14Å; E381-L384 WeakPolarHBondContact O-CB 3.27Å; E381-L384 PolarHBondContact O-N 3.18Å; E381-L384 VanDerWaalsContact O-N 3.17Å; L384-S386 VanDerWaalsContact C-N 3.34Å; L384-S386 PolarHBondContact O-N 3.43Å; L384-I387 HydrophobicContact CD1-CD1 4.29Å; L384-I387 WeakPolarHBondContact O-CG1 3.44Å; L384-I387 PolarHBondContact O-N 3.18Å; L384-T392 HydrophobicContact CD1-CG2 4.13Å; L384-T392 HydrophobicContact CD2-CG2 3.73Å; L384-T392 HydrophobicContact CG-CG2 3.55Å; L384-T394 WeakPolarHBondContact CD2-O 3.18Å; L384-P396 HydrophobicContact CD1-CG 4.38Å; L384-L405 HydrophobicContact CB-CD1 4.3Å; L384-L405 HydrophobicContact CB-CD2 3.99Å; L384-L405 HydrophobicContact CD1-CD1 4.15Å
385Q97.5Very high95.9Very high3 Ų328.1 Ų28.11%0.01414%0.141CC..Hα-helixtrans-67-34.7179-67.7-174.8-10.200112.5F170 S171 E381 N382 I387 N388 D389 E390 T392F170-Q385 HydrophobicContact CB-CB 4.09Å; F170-Q385 HydrophobicContact CD1-CB 4.41Å; S171-Q385 PolarHBondContact O-NE2 3.49Å; S171-Q385 PolarHBondContact O-OE1 3.43Å; S171-Q385 VanDerWaalsContact O-OE1 3.06Å; E381-Q385 HydrophobicContact CG-CG 4.45Å; E381-Q385 VanDerWaalsContact O-CG 3.26Å; E381-Q385 WeakPolarHBondContact O-CG 3.25Å; E381-Q385 PolarHBondContact O-N 3.41Å; N382-Q385 PolarHBondContact O-N 3.3Å; Q385-I387 PolarHBondContact O-N 3.27Å; Q385-N388 PolarHBondContact O-N 3.18Å; Q385-D389 WeakPolarHBondContact O-CA 3.24Å; Q385-D389 PolarHBondContact O-N 3.16Å; Q385-E390 WeakPolarHBondContact CB-O 3.39Å; Q385-E390 VanDerWaalsContact CG-O 3.29Å; Q385-E390 WeakPolarHBondContact CG-O 3.35Å; Q385-E390 PolarHBondContact O-N 3.13Å; Q385-T392 HydrophobicContact CG-CG2 4.43Å; Q385-T392 PolarHBondContact NE2-O 2.86Å
386S97.5Very high95.8Very high0 Ų027.1 Ų27.10%014%0.136CC..Hα-helixtrans-73.4-6.2179.162.50000114.6S39 F170 N382 L383 L384S39-S386 WeakPolarHBondContact CB-O 3.22Å; S39-S386 PolarHBondContact OG-O 2.87Å; F170-S386 VanDerWaalsContact CE1-CA 3.49Å; F170-S386 VanDerWaalsContact CZ-CB 3.49Å; N382-S386 WeakPolarHBondContact O-CB 3.5Å; N382-S386 PolarHBondContact O-N 3.45Å; N382-S386 PolarHBondContact O-OG 2.82Å; N382-S386 VanDerWaalsContact O-OG 3.08Å; L383-S386 WeakPolarHBondContact CA-OG 3.27Å; L383-S386 PolarHBondContact O-N 3.29Å; L383-S386 PolarHBondContact O-OG 3.47Å; L384-S386 VanDerWaalsContact C-N 3.34Å; L384-S386 PolarHBondContact O-N 3.43Å
387I97.7Very high95.5Very high0 Ų030.9 Ų30.90%017%0.165CC..THydrogen-bonded Turntrans-63.1-47171.2-57.5-179.6000110F38 D40 F41 L383 L384 Q385 N401 R404 L405F38-I387 HydrophobicContact CE1-CG1 4.28Å; F38-I387 HydrophobicContact CE2-CG1 4.48Å; F38-I387 HydrophobicContact CZ-CG1 4.01Å; D40-I387 PolarHBondContact N-O 3.42Å; F41-I387 PolarHBondContact N-O 2.99Å; L383-I387 WeakPolarHBondContact O-CG1 3.47Å; L383-I387 PolarHBondContact O-N 3.48Å; L384-I387 HydrophobicContact CD1-CD1 4.29Å; L384-I387 WeakPolarHBondContact O-CG1 3.44Å; L384-I387 PolarHBondContact O-N 3.18Å; Q385-I387 PolarHBondContact O-N 3.27Å; I387-N401 HydrophobicContact CD1-CB 4.23Å; I387-R404 HydrophobicContact CD1-CB 4.36Å; I387-R404 VanDerWaalsContact CG2-NH1 3.3Å; I387-L405 HydrophobicContact CD1-CD2 4.46Å
388N95Very high95.4Very high69 Ų6933.8 Ų33.837%0.36918%0.181SC..THydrogen-bonded Turntrans-1305.9-173.8-59.6103.3000114.6D40 Q385 E390D40-N388 PolarHBondContact OD2-ND2 2.91Å; D40-N388 VanDerWaalsContact OD2-ND2 3.16Å; Q385-N388 PolarHBondContact O-N 3.18Å; N388-E390 VanDerWaalsContact C-N 3.28Å; N388-E390 HydrophobicContact CB-CB 4.47Å; N388-E390 HydrophobicContact CB-CG 3.86Å; N388-E390 PolarHBondContact O-N 2.8Å
389D95Very high95.3Very high22 Ų2241.4 Ų41.412%0.11822%0.217CC..THydrogen-bonded Turntrans52.646.3-167.7-172.620000112.2F41 R94 F170 S171 Q385F41-D389 HydrophobicContact CB-CB 4.31Å; F41-D389 HydrophobicContact CD2-CB 3.66Å; F41-D389 HydrophobicContact CE2-CB 4.2Å; F41-D389 HydrophobicContact CG-CB 3.98Å; R94-D389 IonicContact CZ-OD2 2.89Å; R94-D389 IonicContact NH1-OD2 2.62Å; R94-D389 PolarHBondContact NH1-OD2 3.23Å; R94-D389 IonicContact NH2-OD1 3.6Å; R94-D389 IonicContact NH2-OD2 3.96Å; R94-D389 PolarHBondContact NH2-OD2 3.12Å; F170-D389 HydrophobicContact CE1-CB 4.31Å; S171-D389 VanDerWaalsContact CB-OD1 3.31Å; S171-D389 WeakPolarHBondContact CB-OD1 3.24Å; S171-D389 PolarHBondContact OG-O 3.03Å; S171-D389 PolarHBondContact OG-OD1 3.08Å; Q385-D389 WeakPolarHBondContact O-CA 3.24Å; Q385-D389 PolarHBondContact O-N 3.16Å
390E92.3Very high95.2Very high116 Ų11640.3 Ų40.354%0.54222%0.215SC..  trans-113.1141.2-179.4-71.1-170.7175.100112Q385 N388 T392Q385-E390 WeakPolarHBondContact CB-O 3.39Å; Q385-E390 VanDerWaalsContact CG-O 3.29Å; Q385-E390 WeakPolarHBondContact CG-O 3.35Å; Q385-E390 PolarHBondContact O-N 3.13Å; N388-E390 VanDerWaalsContact C-N 3.28Å; N388-E390 HydrophobicContact CB-CB 4.47Å; N388-E390 HydrophobicContact CB-CG 3.86Å; N388-E390 PolarHBondContact O-N 2.8Å; E390-T392 PolarHBondContact O-N 2.65Å
391Q90.9Very high95.2Very high67 Ų6741.6 Ų41.631%0.31322%0.222SC..  trans-77.373.3175.4-67-179.8-7.500111.2S171 D173S171-Q391 WeakPolarHBondContact O-CG 3.28Å; D173-Q391 VanDerWaalsContact N-NE2 3.18Å; D173-Q391 PolarHBondContact OD1-NE2 2.74Å; D173-Q391 PolarHBondContact OD1-OE1 2.92Å
392T92.7Very high95.2Very high37 Ų3745.6 Ų45.623%0.22724%0.237CC..  trans-106.9147.5172.4-179.40000111.4L384 Q385 E390 T394L384-T392 HydrophobicContact CD1-CG2 4.13Å; L384-T392 HydrophobicContact CD2-CG2 3.73Å; L384-T392 HydrophobicContact CG-CG2 3.55Å; Q385-T392 HydrophobicContact CG-CG2 4.43Å; Q385-T392 PolarHBondContact NE2-O 2.86Å; E390-T392 PolarHBondContact O-N 2.65Å; T392-T394 PolarHBondContact OG1-N 3.28Å; T392-T394 PolarHBondContact OG1-O 2.92Å
393Q90.3Very high95.2Very high49 Ų4946.2 Ų46.223%0.22924%0.242CC..  trans-126.4-0174.5-68.1151.718.500111N315 I316 K317 E381N315-Q393 CarbonylContact C-O 3.56Å; N315-Q393 WeakPolarHBondContact CA-O 3.18Å; I316-Q393 PolarHBondContact N-O 3.38Å; K317-Q393 HydrophobicContact CB-CB 4.15Å; K317-Q393 HydrophobicContact CB-CG 3.93Å; K317-Q393 HydrophobicContact CD-CG 4.02Å; E381-Q393 WeakPolarHBondContact OE1-CG 3.5Å
394T93.6Very high95.1Very high70 Ų7046.4 Ų46.443%0.42924%0.243SC..BIsolated β-bridgetrans-106.7128-172.7-54.70000108.5D314 L384 T392D314-T394 HydrophobicContact CB-CG2 4.35Å; D314-T394 CarbonylContact O-C 3.59Å; D314-T394 WeakPolarHBondContact O-CA 3.47Å; L384-T394 WeakPolarHBondContact CD2-O 3.18Å; T392-T394 PolarHBondContact OG1-N 3.28Å; T392-T394 PolarHBondContact OG1-O 2.92Å
395L94.9Very high95.1Very high20 Ų2045.8 Ų45.811%0.10524%0.24CC..  trans-58.1143.6178.4-63.6171.7000111.1D314 I316 L380 W414 L421D314-L395 HydrophobicContact CB-CB 4.29Å; D314-L395 PolarHBondContact O-N 3.38Å; I316-L395 HydrophobicContact CD1-CD2 3.67Å; I316-L395 HydrophobicContact CD1-CG 4.44Å; I316-L395 HydrophobicContact CG1-CD2 3.87Å; I316-L395 HydrophobicContact CG1-CG 4.17Å; L380-L395 HydrophobicContact CD2-CD2 3.95Å; L380-L395 HydrophobicContact CG-CD2 4.42Å; L395-W414 HydrophobicContact CB-CH2 4.03Å; L395-W414 HydrophobicContact CB-CZ2 4.18Å; L395-W414 HydrophobicContact CD1-CH2 4.43Å; L395-W414 HydrophobicContact CD1-CZ2 4.36Å; L395-W414 HydrophobicContact CD2-CH2 4.03Å; L395-W414 HydrophobicContact CG-CH2 4.39Å; L395-L421 HydrophobicContact CD1-CD2 3.69Å; L395-L421 HydrophobicContact CD2-CD2 4.38Å
396P95Very high95.1Very high12 Ų1245.8 Ų45.88%0.07824%0.241CC..  trans-67.2144.1-177.926-33.9000112.1L384 N401 R402 L405 W414L384-P396 HydrophobicContact CD1-CG 4.38Å; P396-N401 HydrophobicContact CB-CB 3.51Å; P396-N401 HydrophobicContact CG-CB 3.73Å; P396-R402 HydrophobicContact CG-CG 4.09Å; P396-R402 PolarHBondContact O-NE 3.08Å; P396-L405 HydrophobicContact CG-CD1 3.77Å; P396-W414 HydrophobicContact CG-CH2 4.18Å; P396-W414 HydrophobicContact CG-CZ3 4.45Å
397S92.8Very high95.1Very high104 Ų10446.7 Ų46.773%0.72724%0.244SC*.  trans-89.2-23.7171.354.30000113
398D95.3Very high95.1Very high62 Ų6246.9 Ų46.933%0.33225%0.246SC..SBendtrans-80.8149.2-176.770.8-81.2000112.7L400 N401 R402D398-L400 VanDerWaalsContact C-N 3.33Å; D398-L400 PolarHBondContact O-N 3.14Å; D398-L400 PolarHBondContact OD2-N 3.49Å; D398-N401 WeakPolarHBondContact OD1-CB 3.44Å; D398-N401 PolarHBondContact OD1-ND2 2.65Å; D398-N401 WeakPolarHBondContact OD2-CB 3.36Å; D398-N401 PolarHBondContact OD2-N 3.1Å; D398-N401 PolarHBondContact OD2-ND2 3.09Å; D398-R402 WeakPolarHBondContact O-CB 3.47Å; D398-R402 WeakPolarHBondContact O-CG 3.32Å; D398-R402 PolarHBondContact O-N 2.68Å
399E95.3Very high95.2Very high160 Ų16044.2 Ų44.275%0.74823%0.231SC*.Hα-helixtrans-66.8-33.2-175.4-67.8-174166.600113.3A403E399-A403 WeakPolarHBondContact O-CB 3.23Å; E399-A403 PolarHBondContact O-N 3.12Å
400L96.6Very high95.2Very high42 Ų4247.8 Ų47.822%0.2225%0.25CS..Hα-helixtrans-65.1-54.3-177.5176.161.4000110.7L8 Y11 D398 R402 A403 R404L8-L400 HydrophobicContact CD2-CD1 4.04Å; Y11-L400 HydrophobicContact CD1-CD1 4.25Å; Y11-L400 HydrophobicContact CD2-CD1 4.07Å; Y11-L400 HydrophobicContact CD2-CD2 3.56Å; Y11-L400 HydrophobicContact CD2-CG 4.49Å; Y11-L400 HydrophobicContact CE2-CD2 3.68Å; Y11-L400 HydrophobicContact CG-CD1 3.71Å; Y11-L400 HydrophobicContact CG-CD2 4Å; D398-L400 VanDerWaalsContact C-N 3.33Å; D398-L400 PolarHBondContact O-N 3.14Å; D398-L400 PolarHBondContact OD2-N 3.49Å; L400-R402 VanDerWaalsContact C-N 3.31Å; L400-R402 PolarHBondContact O-N 2.85Å; L400-A403 WeakPolarHBondContact O-CB 3.24Å; L400-A403 PolarHBondContact O-N 3.48Å; L400-A403 VanDerWaalsContact O-N 3.14Å; L400-R404 HydrophobicContact CD1-CG 4.46Å; L400-R404 WeakPolarHBondContact O-CG 3.36Å; L400-R404 PolarHBondContact O-N 3.47Å
401N96.5Very high95.4Very high27 Ų2744 Ų4414%0.14423%0.232CC..Hα-helixtrans-69.3-31.4-178.2-68.3-35.2000112I387 P396 D398 R404 L405I387-N401 HydrophobicContact CD1-CB 4.23Å; P396-N401 HydrophobicContact CB-CB 3.51Å; P396-N401 HydrophobicContact CG-CB 3.73Å; D398-N401 WeakPolarHBondContact OD1-CB 3.44Å; D398-N401 PolarHBondContact OD1-ND2 2.65Å; D398-N401 WeakPolarHBondContact OD2-CB 3.36Å; D398-N401 PolarHBondContact OD2-N 3.1Å; D398-N401 PolarHBondContact OD2-ND2 3.09Å; N401-R404 PolarHBondContact O-N 3.28Å; N401-R404 WeakPolarHBondContact OD1-CD 3.26Å; N401-R404 PolarHBondContact OD1-NH1 2.85Å; N401-R404 VanDerWaalsContact OD1-NH1 3.11Å; N401-L405 WeakPolarHBondContact O-CB 3.44Å; N401-L405 WeakPolarHBondContact O-CG 3.4Å; N401-L405 PolarHBondContact O-N 2.94Å
402R97.3Very high95.5Very high85 Ų8544.2 Ų44.232%0.32125%0.245SC..Hα-helixtrans-60.9-44.9169-73.5178.6173.2-174.7-3.2112P396 D398 L400 A406 W414P396-R402 HydrophobicContact CG-CG 4.09Å; P396-R402 PolarHBondContact O-NE 3.08Å; D398-R402 WeakPolarHBondContact O-CB 3.47Å; D398-R402 WeakPolarHBondContact O-CG 3.32Å; D398-R402 PolarHBondContact O-N 2.68Å; L400-R402 VanDerWaalsContact C-N 3.31Å; L400-R402 PolarHBondContact O-N 2.85Å; R402-A406 WeakPolarHBondContact O-CB 3.5Å; R402-A406 PolarHBondContact O-N 2.9Å; R402-W414 HydrophobicContact CB-CB 4.24Å; R402-W414 HydrophobicContact CB-CD2 3.64Å; R402-W414 HydrophobicContact CB-CE3 3.55Å; R402-W414 HydrophobicContact CB-CG 3.96Å; R402-W414 HydrophobicContact CB-CZ3 4.12Å; R402-W414 HydrophobicContact CG-CD2 3.51Å; R402-W414 HydrophobicContact CG-CE3 3.66Å; R402-W414 HydrophobicContact CG-CG 4.05Å; R402-W414 HydrophobicContact CG-CH2 4Å; R402-W414 HydrophobicContact CG-CZ2 3.87Å; R402-W414 HydrophobicContact CG-CZ3 3.91Å
403A97.1Very high95.6Very high13 Ų1346.1 Ų46.111%0.10725%0.254CS..Hα-helixtrans-66.2-40.3176.500000112.1P7 L8 E399 L400 W407P7-A403 HydrophobicContact CB-CB 4.04Å; P7-A403 HydrophobicContact CG-CB 4.27Å; L8-A403 HydrophobicContact CD2-CB 4.09Å; L8-A403 HydrophobicContact CG-CB 4.13Å; E399-A403 WeakPolarHBondContact O-CB 3.23Å; E399-A403 PolarHBondContact O-N 3.12Å; L400-A403 WeakPolarHBondContact O-CB 3.24Å; L400-A403 PolarHBondContact O-N 3.48Å; L400-A403 VanDerWaalsContact O-N 3.14Å; A403-W407 WeakPolarHBondContact O-CB 3.37Å; A403-W407 PolarHBondContact O-N 3.14Å
404R97.4Very high95.9Very high3 Ų345.8 Ų45.81%0.01125%0.251CS..Hα-helixtrans-57.7-52.3175.6-75.9173163.8174.8-16.4111L8 Y11 T37 F38 D40 I387 L400 N401 W407 A408L8-R404 HydrophobicContact CD2-CB 4.34Å; L8-R404 HydrophobicContact CD2-CG 3.53Å; Y11-R404 VanDerWaalsContact CZ-NH2 3.31Å; Y11-R404 PolarHBondContact OH-NH2 2.96Å; T37-R404 PolarHBondContact O-NE 2.92Å; T37-R404 PolarHBondContact O-NH2 2.99Å; F38-R404 HydrophobicContact CD2-CB 3.75Å; F38-R404 HydrophobicContact CD2-CG 4.28Å; F38-R404 HydrophobicContact CE2-CB 3.89Å; F38-R404 WeakPolarHBondContact CE2-O 3.21Å; F38-R404 VanDerWaalsContact O-CD 3.3Å; F38-R404 WeakPolarHBondContact O-CD 3.35Å; F38-R404 PolarHBondContact O-NE 3.03Å; D40-R404 IonicContact OD1-CZ 3.07Å; D40-R404 IonicContact OD1-NH1 2.68Å; D40-R404 IonicContact OD1-NH2 3.45Å; D40-R404 PolarHBondContact OD1-NH2 3.22Å; D40-R404 IonicContact OD2-CZ 2.78Å; D40-R404 IonicContact OD2-NH1 2.77Å; D40-R404 PolarHBondContact OD2-NH1 3.5Å; D40-R404 IonicContact OD2-NH2 2.68Å; D40-R404 PolarHBondContact OD2-NH2 3.44Å; I387-R404 HydrophobicContact CD1-CB 4.36Å; I387-R404 VanDerWaalsContact CG2-NH1 3.3Å; L400-R404 HydrophobicContact CD1-CG 4.46Å; L400-R404 WeakPolarHBondContact O-CG 3.36Å; L400-R404 PolarHBondContact O-N 3.47Å; N401-R404 PolarHBondContact O-N 3.28Å; N401-R404 WeakPolarHBondContact OD1-CD 3.26Å; N401-R404 PolarHBondContact OD1-NH1 2.85Å; N401-R404 VanDerWaalsContact OD1-NH1 3.11Å; R404-W407 PolarHBondContact O-N 3.46Å; R404-A408 WeakPolarHBondContact O-CB 3.31Å; R404-A408 PolarHBondContact O-N 3.33Å
405L97.5Very high96Very high0 Ų046.6 Ų46.60%026%0.257CS..Hα-helixtrans-64.7-44.8-179.8-71.6-178.3000112.9L380 L383 L384 I387 P396 N401 W407 A408 M409 W414 L417L380-L405 HydrophobicContact CD1-CB 4.4Å; L380-L405 HydrophobicContact CD1-CD1 4.07Å; L380-L405 HydrophobicContact CD1-CD2 4.25Å; L380-L405 HydrophobicContact CD1-CG 4.49Å; L383-L405 HydrophobicContact CB-CD2 4.01Å; L384-L405 HydrophobicContact CB-CD1 4.3Å; L384-L405 HydrophobicContact CB-CD2 3.99Å; L384-L405 HydrophobicContact CD1-CD1 4.15Å; I387-L405 HydrophobicContact CD1-CD2 4.46Å; P396-L405 HydrophobicContact CG-CD1 3.77Å; N401-L405 WeakPolarHBondContact O-CB 3.44Å; N401-L405 WeakPolarHBondContact O-CG 3.4Å; N401-L405 PolarHBondContact O-N 2.94Å; L405-W407 VanDerWaalsContact C-N 3.27Å; L405-W407 PolarHBondContact O-N 3.31Å; L405-A408 PolarHBondContact O-N 2.88Å; L405-M409 VanDerWaalsContact O-CB 3.28Å; L405-M409 WeakPolarHBondContact O-CB 3.16Å; L405-M409 WeakPolarHBondContact O-CG 3.42Å; L405-M409 PolarHBondContact O-N 3.1Å; L405-W414 HydrophobicContact CB-CZ3 4.12Å; L405-W414 HydrophobicContact CD1-CH2 4.33Å; L405-W414 HydrophobicContact CD1-CZ3 3.95Å; L405-L417 HydrophobicContact CB-CD2 3.97Å
406A97.1Very high96.1Very high4 Ų450.2 Ų50.23%0.03327%0.274CS..Hα-helixtrans-57.3-44.2177.500000111.3R402 D410 F411 L417R402-A406 WeakPolarHBondContact O-CB 3.5Å; R402-A406 PolarHBondContact O-N 2.9Å; A406-D410 PolarHBondContact O-N 3.35Å; A406-F411 WeakPolarHBondContact O-CA 3.46Å; A406-F411 PolarHBondContact O-N 3.08Å; A406-L417 HydrophobicContact CB-CD2 4.46Å
407W97.2Very high96.3Very high18 Ų1849.7 Ų49.77%0.06827%0.27CS..Hα-helixtrans-65.6-47.9177.9175.584.8000112.6M1 K2 L4 L8 S34 F38 T106 A403 R404 L405 M409 D410M1-W407 HydrophobicContact CE-CZ2 4.27Å; M1-W407 HydrophobicContact CG-CH2 4.36Å; M1-W407 HydrophobicContact CG-CZ2 3.56Å; M1-W407 HydrophobicContact SD-CH2 4.25Å; M1-W407 HydrophobicContact SD-CZ2 3.78Å; K2-W407 PolarHBondContact O-NE1 2.81Å; L4-W407 HydrophobicContact CD2-CD2 4.3Å; L4-W407 HydrophobicContact CD2-CZ2 4.13Å; L8-W407 HydrophobicContact CD1-CB 3.69Å; L8-W407 HydrophobicContact CD1-CD2 4.37Å; L8-W407 HydrophobicContact CD1-CG 3.87Å; S34-W407 VanDerWaalsContact CB-CH2 3.48Å; F38-W407 HydrophobicContact CB-CZ3 4.24Å; F38-W407 HydrophobicContact CD2-CE3 4.29Å; F38-W407 HydrophobicContact CD2-CZ3 4.4Å; F38-W407 HydrophobicContact CG-CZ3 4.49Å; T106-W407 HydrophobicContact CG2-CH2 4.13Å; T106-W407 HydrophobicContact CG2-CZ3 3.65Å; A403-W407 WeakPolarHBondContact O-CB 3.37Å; A403-W407 PolarHBondContact O-N 3.14Å; R404-W407 PolarHBondContact O-N 3.46Å; L405-W407 VanDerWaalsContact C-N 3.27Å; L405-W407 PolarHBondContact O-N 3.31Å; W407-M409 PolarHBondContact O-N 2.91Å; W407-D410 PolarHBondContact O-N 3.24Å; W407-D410 VanDerWaalsContact O-N 3.1Å
408A96.7Very high96.4Very high5 Ų546.6 Ų46.64%0.04125%0.247CC..Hα-helixtrans-72.1-26.4-176.500000113.9F38 R379 L383 R404 L405 D410F38-A408 HydrophobicContact CD2-CB 3.85Å; F38-A408 HydrophobicContact CE2-CB 3.43Å; F38-A408 VanDerWaalsContact CE2-CB 3.43Å; F38-A408 HydrophobicContact CZ-CB 4.01Å; R379-A408 PolarHBondContact NH2-O 2.97Å; L383-A408 HydrophobicContact CD1-CB 3.76Å; L383-A408 HydrophobicContact CD2-CB 3.91Å; L383-A408 HydrophobicContact CG-CB 4.42Å; R404-A408 WeakPolarHBondContact O-CB 3.31Å; R404-A408 PolarHBondContact O-N 3.33Å; L405-A408 PolarHBondContact O-N 2.88Å; A408-D410 PolarHBondContact O-N 3.46Å
409M96.8Very high96.5Very high13 Ų1345.7 Ų45.76%0.06425%0.252CS..THydrogen-bonded Turntrans-81.84.4171.3-71.5-69.1-69.800113.3F376 R379 L380 L383 L405 W407 F411 L417F376-M409 HydrophobicContact CD1-CE 4.02Å; F376-M409 HydrophobicContact CD2-CE 3.72Å; F376-M409 HydrophobicContact CE1-CE 3.83Å; F376-M409 HydrophobicContact CE2-CE 3.53Å; F376-M409 HydrophobicContact CG-CE 3.97Å; F376-M409 HydrophobicContact CZ-CE 3.6Å; R379-M409 HydrophobicContact CB-SD 4.12Å; R379-M409 HydrophobicContact CG-SD 3.69Å; L380-M409 HydrophobicContact CB-CE 4.11Å; L380-M409 HydrophobicContact CB-SD 4.16Å; L380-M409 HydrophobicContact CD1-CG 3.96Å; L380-M409 HydrophobicContact CD1-SD 4.43Å; L383-M409 HydrophobicContact CD1-CG 4Å; L383-M409 HydrophobicContact CD1-SD 3.76Å; L405-M409 VanDerWaalsContact O-CB 3.28Å; L405-M409 WeakPolarHBondContact O-CB 3.16Å; L405-M409 WeakPolarHBondContact O-CG 3.42Å; L405-M409 PolarHBondContact O-N 3.1Å; W407-M409 PolarHBondContact O-N 2.91Å; M409-F411 HydrophobicContact CB-CD2 3.7Å; M409-F411 HydrophobicContact CB-CE2 4.13Å; M409-F411 WeakPolarHBondContact O-CD2 3.48Å; M409-L417 HydrophobicContact CB-CD1 3.93Å; M409-L417 HydrophobicContact CE-CD1 4.31Å; M409-L417 HydrophobicContact CG-CD1 4Å
410D96Very high96.6Very high96 Ų9639.2 Ų39.251%0.51323%0.226SC..THydrogen-bonded Turntrans60.738.4-177.4-163.632000114.3K2 A406 W407 A408K2-D410 WeakPolarHBondContact CD-OD1 3.49Å; K2-D410 WeakPolarHBondContact CE-OD1 3.35Å; K2-D410 VanDerWaalsContact NZ-C 3.27Å; K2-D410 PolarHBondContact NZ-O 2.91Å; K2-D410 IonicContact NZ-OD1 2.7Å; K2-D410 PolarHBondContact NZ-OD1 3.38Å; A406-D410 PolarHBondContact O-N 3.35Å; W407-D410 PolarHBondContact O-N 3.24Å; W407-D410 VanDerWaalsContact O-N 3.1Å; A408-D410 PolarHBondContact O-N 3.46Å
411F96.4Very high96.6Very high36 Ų3637.7 Ų37.716%0.15822%0.218CC..  trans-102.5162.5169.9-73.6-79.7000112F376 A406 M409 Q416 L417 A420F376-F411 AromaticContact CE2-CE2 3.66Å; F376-F411 HydrophobicContact CE2-CE2 3.66Å; F376-F411 AromaticContact CE2-CZ 3.82Å; F376-F411 HydrophobicContact CE2-CZ 3.82Å; F376-F411 AromaticContact CZ-CE2 3.85Å; F376-F411 HydrophobicContact CZ-CE2 3.85Å; F376-F411 HydrophobicContact CZ-CZ 4.14Å; A406-F411 WeakPolarHBondContact O-CA 3.46Å; A406-F411 PolarHBondContact O-N 3.08Å; M409-F411 HydrophobicContact CB-CD2 3.7Å; M409-F411 HydrophobicContact CB-CE2 4.13Å; M409-F411 WeakPolarHBondContact O-CD2 3.48Å; F411-Q416 HydrophobicContact CD1-CB 4.03Å; F411-Q416 HydrophobicContact CD1-CG 3.6Å; F411-Q416 HydrophobicContact CE1-CG 4.16Å; F411-L417 HydrophobicContact CB-CB 4.15Å; F411-L417 HydrophobicContact CD2-CB 4Å; F411-L417 HydrophobicContact CD2-CD1 3.65Å; F411-L417 HydrophobicContact CD2-CG 4.4Å; F411-L417 HydrophobicContact CE2-CD1 3.77Å; F411-L417 HydrophobicContact CG-CB 4.05Å; F411-A420 HydrophobicContact CE1-CB 3.77Å; F411-A420 HydrophobicContact CE2-CB 4.41Å; F411-A420 HydrophobicContact CZ-CB 3.47Å; F411-A420 VanDerWaalsContact CZ-CB 3.47Å
412A93.1Very high96.6Very high72 Ų7240.3 Ų40.360%0.59524%0.235SC*.SBendtrans-77.7-38.3177.800000112
413D94.7Very high96.6Very high78 Ų7838.9 Ų38.942%0.41724%0.242SC..SBendtrans-154.4174.9-176.660.832.5000112P415 Q416 L417D413-P415 VanDerWaalsContact OD1-CD 3.3Å; D413-P415 WeakPolarHBondContact OD1-CD 3.3Å; D413-Q416 PolarHBondContact O-N 3.37Å; D413-Q416 WeakPolarHBondContact OD1-CB 3.44Å; D413-Q416 PolarHBondContact OD1-N 3.34Å; D413-L417 PolarHBondContact O-N 3.35Å
414W96.4Very high96.6Very high42 Ų4240 Ų4016%0.15924%0.244CC..Hα-helixtrans-63.9-44.2179.2-178.9-102.8000113.9L395 P396 R402 L405 Q416 L417 T418L395-W414 HydrophobicContact CB-CH2 4.03Å; L395-W414 HydrophobicContact CB-CZ2 4.18Å; L395-W414 HydrophobicContact CD1-CH2 4.43Å; L395-W414 HydrophobicContact CD1-CZ2 4.36Å; L395-W414 HydrophobicContact CD2-CH2 4.03Å; L395-W414 HydrophobicContact CG-CH2 4.39Å; P396-W414 HydrophobicContact CG-CH2 4.18Å; P396-W414 HydrophobicContact CG-CZ3 4.45Å; R402-W414 HydrophobicContact CB-CB 4.24Å; R402-W414 HydrophobicContact CB-CD2 3.64Å; R402-W414 HydrophobicContact CB-CE3 3.55Å; R402-W414 HydrophobicContact CB-CG 3.96Å; R402-W414 HydrophobicContact CB-CZ3 4.12Å; R402-W414 HydrophobicContact CG-CD2 3.51Å; R402-W414 HydrophobicContact CG-CE3 3.66Å; R402-W414 HydrophobicContact CG-CG 4.05Å; R402-W414 HydrophobicContact CG-CH2 4Å; R402-W414 HydrophobicContact CG-CZ2 3.87Å; R402-W414 HydrophobicContact CG-CZ3 3.91Å; L405-W414 HydrophobicContact CB-CZ3 4.12Å; L405-W414 HydrophobicContact CD1-CH2 4.33Å; L405-W414 HydrophobicContact CD1-CZ3 3.95Å; W414-Q416 VanDerWaalsContact C-N 3.32Å; W414-Q416 PolarHBondContact O-N 3.36Å; W414-L417 HydrophobicContact CE3-CD2 3.83Å; W414-L417 HydrophobicContact CZ3-CD2 3.71Å; W414-L417 PolarHBondContact O-N 3.04Å; W414-T418 HydrophobicContact CD2-CG2 4Å; W414-T418 VanDerWaalsContact CE2-CG2 3.46Å; W414-T418 HydrophobicContact CG-CG2 4.35Å; W414-T418 HydrophobicContact CH2-CG2 4.46Å; W414-T418 HydrophobicContact CZ2-CG2 3.74Å; W414-T418 WeakPolarHBondContact O-CG2 3.48Å; W414-T418 PolarHBondContact O-N 3.04Å; W414-T418 PolarHBondContact O-OG1 3.36Å; W414-T418 VanDerWaalsContact O-OG1 3.08Å
415P96.5Very high96.6Very high87 Ų8741 Ų4157%0.56525%0.25SC*.Hα-helixtrans-53.2-44173.1-29.335.6000114D413 T418 G419D413-P415 VanDerWaalsContact OD1-CD 3.3Å; D413-P415 WeakPolarHBondContact OD1-CD 3.3Å; P415-T418 WeakPolarHBondContact CA-OG1 3.29Å; P415-T418 PolarHBondContact O-N 3.47Å; P415-T418 PolarHBondContact O-OG1 3Å; P415-G419 PolarHBondContact O-N 3.36Å
416Q97.2Very high96.5Very high95 Ų9544.9 Ų44.944%0.44427%0.274SS..Hα-helixtrans-65.9-42.9179.2-161.5-170.712.500112F411 D413 W414 G419 A420F411-Q416 HydrophobicContact CD1-CB 4.03Å; F411-Q416 HydrophobicContact CD1-CG 3.6Å; F411-Q416 HydrophobicContact CE1-CG 4.16Å; D413-Q416 PolarHBondContact O-N 3.37Å; D413-Q416 WeakPolarHBondContact OD1-CB 3.44Å; D413-Q416 PolarHBondContact OD1-N 3.34Å; W414-Q416 VanDerWaalsContact C-N 3.32Å; W414-Q416 PolarHBondContact O-N 3.36Å; Q416-G419 PolarHBondContact O-N 3.25Å; Q416-A420 PolarHBondContact O-N 3.01Å; Q416-A420 VanDerWaalsContact O-N 3.09Å
417L97.5Very high96.5Very high2 Ų247.1 Ų47.11%0.0129%0.285CS..Hα-helixtrans-59.8-49.1175.7170.359.7000111.3F376 L380 L405 A406 M409 F411 D413 W414 G419 A420 L421F376-L417 HydrophobicContact CE1-CD1 4.3Å; F376-L417 HydrophobicContact CZ-CD1 3.78Å; L380-L417 HydrophobicContact CD1-CD1 4.31Å; L380-L417 HydrophobicContact CD1-CD2 4.12Å; L405-L417 HydrophobicContact CB-CD2 3.97Å; A406-L417 HydrophobicContact CB-CD2 4.46Å; M409-L417 HydrophobicContact CB-CD1 3.93Å; M409-L417 HydrophobicContact CE-CD1 4.31Å; M409-L417 HydrophobicContact CG-CD1 4Å; F411-L417 HydrophobicContact CB-CB 4.15Å; F411-L417 HydrophobicContact CD2-CB 4Å; F411-L417 HydrophobicContact CD2-CD1 3.65Å; F411-L417 HydrophobicContact CD2-CG 4.4Å; F411-L417 HydrophobicContact CE2-CD1 3.77Å; F411-L417 HydrophobicContact CG-CB 4.05Å; D413-L417 PolarHBondContact O-N 3.35Å; W414-L417 HydrophobicContact CE3-CD2 3.83Å; W414-L417 HydrophobicContact CZ3-CD2 3.71Å; W414-L417 PolarHBondContact O-N 3.04Å; L417-G419 VanDerWaalsContact C-N 3.35Å; L417-G419 PolarHBondContact O-N 3.47Å; L417-A420 PolarHBondContact O-N 3.05Å; L417-L421 WeakPolarHBondContact O-CB 3.11Å; L417-L421 PolarHBondContact O-N 3.39Å
418T96.1Very high96.5Very high39 Ų3946.2 Ų46.224%0.23928%0.282CS..Hα-helixtrans-67.2-33-179.955.30000113.2W414 P415 L421 T422W414-T418 HydrophobicContact CD2-CG2 4Å; W414-T418 VanDerWaalsContact CE2-CG2 3.46Å; W414-T418 HydrophobicContact CG-CG2 4.35Å; W414-T418 HydrophobicContact CH2-CG2 4.46Å; W414-T418 HydrophobicContact CZ2-CG2 3.74Å; W414-T418 WeakPolarHBondContact O-CG2 3.48Å; W414-T418 PolarHBondContact O-N 3.04Å; W414-T418 PolarHBondContact O-OG1 3.36Å; W414-T418 VanDerWaalsContact O-OG1 3.08Å; P415-T418 WeakPolarHBondContact CA-OG1 3.29Å; P415-T418 PolarHBondContact O-N 3.47Å; P415-T418 PolarHBondContact O-OG1 3Å; T418-L421 PolarHBondContact O-N 2.89Å; T418-T422 WeakPolarHBondContact O-CB 3.36Å; T418-T422 PolarHBondContact O-N 3.29Å; T418-T422 PolarHBondContact O-OG1 2.98Å
419G96.7Very high96.4Very high43 Ų4348.7 Ų48.744%0.44329%0.29SS..Hα-helixtrans-63.1-45.8172.200000112.4P415 Q416 L417 T422 A423P415-G419 PolarHBondContact O-N 3.36Å; Q416-G419 PolarHBondContact O-N 3.25Å; L417-G419 VanDerWaalsContact C-N 3.35Å; L417-G419 PolarHBondContact O-N 3.47Å; G419-T422 PolarHBondContact O-N 3.32Å; G419-A423 PolarHBondContact O-N 3Å; G419-A423 VanDerWaalsContact O-N 3.13Å
420A97.5Very high96.3Very high23 Ų2351.7 Ų51.719%0.1930%0.3CS..Hα-helixtrans-64-43.9175.100000112F376 F411 Q416 L417 T422 A423 H424F376-A420 HydrophobicContact CE2-CB 4.22Å; F376-A420 HydrophobicContact CZ-CB 3.98Å; F411-A420 HydrophobicContact CE1-CB 3.77Å; F411-A420 HydrophobicContact CE2-CB 4.41Å; F411-A420 HydrophobicContact CZ-CB 3.47Å; F411-A420 VanDerWaalsContact CZ-CB 3.47Å; Q416-A420 PolarHBondContact O-N 3.01Å; Q416-A420 VanDerWaalsContact O-N 3.09Å; L417-A420 PolarHBondContact O-N 3.05Å; A420-T422 VanDerWaalsContact C-N 3.33Å; A420-T422 PolarHBondContact O-N 3.42Å; A420-A423 PolarHBondContact O-N 2.85Å; A420-H424 PolarHBondContact O-CD2 3.42Å; A420-H424 PolarHBondContact O-N 3.29Å; A420-H424 VanDerWaalsContact O-N 3.09Å
421L97.2Very high96.3Very high10 Ų1047.2 Ų47.25%0.05228%0.277CS..Hα-helixtrans-55.6-47.6174.6175.861.6000111.6F376 L377 L380 L395 L417 T418 A423 H424 M425F376-L421 HydrophobicContact CD1-CD1 4.32Å; F376-L421 HydrophobicContact CE1-CB 3.97Å; F376-L421 HydrophobicContact CE1-CD1 4.07Å; L377-L421 HydrophobicContact CD2-CD1 3.39Å; L380-L421 HydrophobicContact CD2-CD1 4Å; L380-L421 HydrophobicContact CD2-CD2 3.97Å; L395-L421 HydrophobicContact CD1-CD2 3.69Å; L395-L421 HydrophobicContact CD2-CD2 4.38Å; L417-L421 WeakPolarHBondContact O-CB 3.11Å; L417-L421 PolarHBondContact O-N 3.39Å; T418-L421 PolarHBondContact O-N 2.89Å; L421-A423 VanDerWaalsContact C-N 3.32Å; L421-A423 PolarHBondContact O-N 3.26Å; L421-H424 PolarHBondContact O-N 3.01Å; L421-M425 HydrophobicContact CD1-CG 4.09Å; L421-M425 HydrophobicContact CD1-SD 3.72Å; L421-M425 HydrophobicContact CD2-SD 4.37Å; L421-M425 HydrophobicContact CG-CG 4.48Å; L421-M425 HydrophobicContact CG-SD 3.78Å; L421-M425 WeakPolarHBondContact O-CG 3.47Å; L421-M425 PolarHBondContact O-N 3.26Å
422T95.8Very high96.1Very high83 Ų8345.6 Ų45.651%0.50927%0.269SS..Hα-helixtrans-61.2-40.7179.8-58.20000111.7T418 G419 A420 M425 T426T418-T422 WeakPolarHBondContact O-CB 3.36Å; T418-T422 PolarHBondContact O-N 3.29Å; T418-T422 PolarHBondContact O-OG1 2.98Å; G419-T422 PolarHBondContact O-N 3.32Å; A420-T422 VanDerWaalsContact C-N 3.33Å; A420-T422 PolarHBondContact O-N 3.42Å; T422-M425 PolarHBondContact O-N 2.96Å; T422-T426 WeakPolarHBondContact O-CB 3.35Å; T422-T426 PolarHBondContact O-N 3.4Å; T422-T426 PolarHBondContact O-OG1 3.37Å
423A97.1Very high96Very high55 Ų5545.5 Ų45.546%0.45526%0.259SS..Hα-helixtrans-63-44.8176.800000111.9G419 A420 L421 T426 N427G419-A423 PolarHBondContact O-N 3Å; G419-A423 VanDerWaalsContact O-N 3.13Å; A420-A423 PolarHBondContact O-N 2.85Å; L421-A423 VanDerWaalsContact C-N 3.32Å; L421-A423 PolarHBondContact O-N 3.26Å; A423-T426 PolarHBondContact O-N 3.28Å; A423-N427 PolarHBondContact O-N 2.88Å
424H97.9Very high95.9Very high35 Ų3547.1 Ų47.116%0.16226%0.264CS..Hα-helixtrans-61.2-48.9175.3-75.7-60.7000112.1V372 A373 F376 A420 L421 T426 N427 V428V372-H424 VanDerWaalsContact CG1-CE1 3.45Å; V372-H424 WeakPolarHBondContact CG1-CE1 3.48Å; A373-H424 HydrophobicContact CB-CB 3.88Å; F376-H424 AromaticContact CD1-CD2 3.9Å; F376-H424 AromaticContact CD2-CD2 3.75Å; F376-H424 AromaticContact CD2-NE2 3.71Å; F376-H424 AromaticContact CG-CD2 3.61Å; F376-H424 AromaticContact CG-NE2 3.95Å; A420-H424 PolarHBondContact O-CD2 3.42Å; A420-H424 PolarHBondContact O-N 3.29Å; A420-H424 VanDerWaalsContact O-N 3.09Å; L421-H424 PolarHBondContact O-N 3.01Å; H424-T426 VanDerWaalsContact C-N 3.27Å; H424-T426 PolarHBondContact O-N 3.04Å; H424-N427 PolarHBondContact O-N 2.82Å; H424-V428 WeakPolarHBondContact O-CG2 3.4Å; H424-V428 PolarHBondContact O-N 2.96Å; H424-V428 VanDerWaalsContact O-N 3.11Å
425M96.5Very high95.5Very high25 Ų2545.6 Ų45.612%0.12326%0.259CS..Hα-helixtrans-62.6-35.3179.4-68.2176.970.900111.8A320 G321 L377 L421 T422 N427 V428 R429A320-M425 WeakPolarHBondContact O-CE 3.33Å; G321-M425 VanDerWaalsContact CA-O 3.26Å; G321-M425 WeakPolarHBondContact CA-O 3.47Å; L377-M425 HydrophobicContact CD2-CG 4.15Å; L377-M425 HydrophobicContact CD2-SD 4.5Å; L421-M425 HydrophobicContact CD1-CG 4.09Å; L421-M425 HydrophobicContact CD1-SD 3.72Å; L421-M425 HydrophobicContact CD2-SD 4.37Å; L421-M425 HydrophobicContact CG-CG 4.48Å; L421-M425 HydrophobicContact CG-SD 3.78Å; L421-M425 WeakPolarHBondContact O-CG 3.47Å; L421-M425 PolarHBondContact O-N 3.26Å; T422-M425 PolarHBondContact O-N 2.96Å; M425-N427 PolarHBondContact O-N 3Å; M425-V428 PolarHBondContact O-N 2.98Å; M425-R429 VanDerWaalsContact O-CB 3.28Å; M425-R429 WeakPolarHBondContact O-CB 3.36Å; M425-R429 PolarHBondContact O-N 3.12Å
426T96.1Very high94.8Very high82 Ų8243 Ų4350%0.50324%0.24SC..Hα-helixtrans-63.3-42.4175.7-58.80000112T422 A423 H424 R429 R430T422-T426 WeakPolarHBondContact O-CB 3.35Å; T422-T426 PolarHBondContact O-N 3.4Å; T422-T426 PolarHBondContact O-OG1 3.37Å; A423-T426 PolarHBondContact O-N 3.28Å; H424-T426 VanDerWaalsContact C-N 3.27Å; H424-T426 PolarHBondContact O-N 3.04Å; T426-R429 PolarHBondContact O-N 3.2Å; T426-R430 PolarHBondContact O-N 3.26Å
427N96.7Very high93.4Very high50 Ų5040.2 Ų40.227%0.26724%0.237SC..Hα-helixtrans-64.1-45.3177.2-68.9-17.4000111.7Q369 A423 H424 M425 R429 R430 V431Q369-N427 HydrophobicContact CB-CB 4.33Å; A423-N427 PolarHBondContact O-N 2.88Å; H424-N427 PolarHBondContact O-N 2.82Å; M425-N427 PolarHBondContact O-N 3Å; N427-R429 VanDerWaalsContact C-N 3.31Å; N427-R429 PolarHBondContact O-N 3.35Å; N427-R430 PolarHBondContact O-N 2.88Å; N427-V431 PolarHBondContact O-N 2.87Å
428V97.3Very high91.4Very high0 Ų044 Ų440%026%0.257CS..Hα-helixtrans-58.6-46.5175.6176.30000110.4G321 E325 I326 I329 L370 A373 H424 M425 R430 V431 F432G321-V428 WeakPolarHBondContact O-CB 3.46Å; E325-V428 HydrophobicContact CB-CG1 3.9Å; I326-V428 HydrophobicContact CD1-CG1 4.41Å; I326-V428 HydrophobicContact CD1-CG2 3.71Å; I326-V428 HydrophobicContact CG1-CB 4.3Å; I326-V428 HydrophobicContact CG1-CG1 3.53Å; I326-V428 HydrophobicContact CG1-CG2 3.7Å; I329-V428 HydrophobicContact CD1-CG1 4.38Å; L370-V428 HydrophobicContact CD2-CB 4.36Å; L370-V428 HydrophobicContact CD2-CG1 4.3Å; L370-V428 HydrophobicContact CD2-CG2 4.05Å; A373-V428 HydrophobicContact CB-CG2 3.58Å; H424-V428 WeakPolarHBondContact O-CG2 3.4Å; H424-V428 PolarHBondContact O-N 2.96Å; H424-V428 VanDerWaalsContact O-N 3.11Å; M425-V428 PolarHBondContact O-N 2.98Å; V428-R430 VanDerWaalsContact C-N 3.32Å; V428-R430 PolarHBondContact O-N 3.34Å; V428-V431 PolarHBondContact O-N 3.2Å; V428-F432 WeakPolarHBondContact O-CB 3.49Å; V428-F432 PolarHBondContact O-N 3.1Å
429R94.3Very high89.2Confident56 Ų5645.7 Ų45.721%0.21127%0.265CS..Hα-helixtrans-61.3-40.1-178.2-176.456154.2-168.9-4.6112.5E325 M425 T426 N427 F432 N433E325-R429 IonicContact OE1-CZ 3.31Å; E325-R429 IonicContact OE1-NH1 3.09Å; E325-R429 PolarHBondContact OE1-NH1 3.04Å; E325-R429 IonicContact OE2-NH1 2.96Å; E325-R429 PolarHBondContact OE2-NH1 2.95Å; M425-R429 VanDerWaalsContact O-CB 3.28Å; M425-R429 WeakPolarHBondContact O-CB 3.36Å; M425-R429 PolarHBondContact O-N 3.12Å; T426-R429 PolarHBondContact O-N 3.2Å; N427-R429 VanDerWaalsContact C-N 3.31Å; N427-R429 PolarHBondContact O-N 3.35Å; R429-F432 PolarHBondContact O-N 2.83Å; R429-N433 VanDerWaalsContact O-CG 3.23Å; R429-N433 PolarHBondContact O-N 3.38Å; R429-N433 PolarHBondContact O-ND2 3.34Å; R429-N433 PolarHBondContact O-OD1 3.34Å
430R95.1Very high86.7Confident77 Ų7751.2 Ų51.229%0.29128%0.279SS..Hα-helixtrans-60-52.3175.3179.9-171.858.178.40.2111D366 Q369 T426 N427 V428 F432 N433 E434D366-R430 IonicContact OD1-CZ 3.19Å; D366-R430 IonicContact OD1-NH1 3.69Å; D366-R430 PolarHBondContact OD1-NH1 3.23Å; D366-R430 VanDerWaalsContact OD1-NH1 3.14Å; D366-R430 IonicContact OD1-NH2 2.72Å; D366-R430 PolarHBondContact OD1-NH2 3.16Å; Q369-R430 VanDerWaalsContact OE1-NH2 3.07Å; T426-R430 PolarHBondContact O-N 3.26Å; N427-R430 PolarHBondContact O-N 2.88Å; V428-R430 VanDerWaalsContact C-N 3.32Å; V428-R430 PolarHBondContact O-N 3.34Å; R430-F432 VanDerWaalsContact C-N 3.29Å; R430-F432 PolarHBondContact O-N 3.48Å; R430-N433 PolarHBondContact O-N 2.94Å; R430-N433 VanDerWaalsContact O-N 3.16Å; R430-E434 VanDerWaalsContact CG-OE1 3.26Å; R430-E434 WeakPolarHBondContact CG-OE1 3.5Å; R430-E434 IonicContact NH1-OE1 3.68Å; R430-E434 PolarHBondContact NH1-OE1 2.87Å; R430-E434 IonicContact NH1-OE2 2.82Å; R430-E434 PolarHBondContact NH1-OE2 3.46Å; R430-E434 VanDerWaalsContact NH1-OE2 3.08Å; R430-E434 PolarHBondContact O-N 2.96Å; R430-E434 VanDerWaalsContact O-N 3.1Å
431V95.5Very high83.6Confident2 Ų254.8 Ų54.81%0.01230%0.303CS..Hα-helixtrans-63.7-37.4179.8-177.40000111.3I329 L362 D366 L370 N427 V428 N433 E434 L435I329-V431 HydrophobicContact CD1-CB 4.2Å; I329-V431 HydrophobicContact CD1-CG1 4.08Å; I329-V431 HydrophobicContact CG2-CG1 4.28Å; L362-V431 HydrophobicContact CD1-CG1 4.25Å; L362-V431 HydrophobicContact CD2-CG1 4.03Å; D366-V431 HydrophobicContact CB-CG2 3.98Å; L370-V431 HydrophobicContact CD1-CG1 4.03Å; N427-V431 PolarHBondContact O-N 2.87Å; V428-V431 PolarHBondContact O-N 3.2Å; V431-N433 VanDerWaalsContact C-N 3.33Å; V431-N433 PolarHBondContact O-N 3.02Å; V431-E434 PolarHBondContact O-N 3.26Å; V431-L435 PolarHBondContact O-N 2.66Å
432F94.1Very high80.6Confident1 Ų162.8 Ų62.80%0.00434%0.34CS..Hα-helixtrans-60.2-41.7175.1-177.7-91.2000112K300 I303 A304 E325 F328 I329 V428 R429 R430 L435K300-F432 HydrophobicContact CB-CZ 4.48Å; K300-F432 WeakPolarHBondContact CE-O 3.43Å; K300-F432 HydrophobicContact CG-CE1 3.83Å; K300-F432 HydrophobicContact CG-CE2 4.39Å; K300-F432 HydrophobicContact CG-CZ 3.66Å; I303-F432 HydrophobicContact CB-CZ 4.2Å; I303-F432 HydrophobicContact CG2-CE2 4.26Å; I303-F432 HydrophobicContact CG2-CZ 3.92Å; A304-F432 HydrophobicContact CB-CE1 4.49Å; E325-F432 HydrophobicContact CB-CB 4.44Å; E325-F432 HydrophobicContact CB-CD2 3.67Å; E325-F432 HydrophobicContact CB-CE2 4.2Å; E325-F432 HydrophobicContact CB-CG 4.18Å; E325-F432 HydrophobicContact CG-CD2 3.71Å; E325-F432 HydrophobicContact CG-CE2 3.85Å; E325-F432 HydrophobicContact CG-CG 4.11Å; E325-F432 HydrophobicContact CG-CZ 4.37Å; F328-F432 HydrophobicContact CB-CE2 4.29Å; F328-F432 HydrophobicContact CD1-CD2 4.09Å; F328-F432 AromaticContact CD1-CE2 3.44Å; F328-F432 HydrophobicContact CD1-CE2 3.44Å; F328-F432 VanDerWaalsContact CD1-CE2 3.44Å; F328-F432 HydrophobicContact CD1-CZ 4.3Å; F328-F432 HydrophobicContact CE1-CE2 4.08Å; F328-F432 HydrophobicContact CG-CE2 4.1Å; I329-F432 HydrophobicContact CD1-CB 4.03Å; I329-F432 HydrophobicContact CG1-CB 4.4Å; I329-F432 HydrophobicContact CG1-CD2 4.26Å; V428-F432 WeakPolarHBondContact O-CB 3.49Å; V428-F432 PolarHBondContact O-N 3.1Å; R429-F432 PolarHBondContact O-N 2.83Å; R430-F432 VanDerWaalsContact C-N 3.29Å; R430-F432 PolarHBondContact O-N 3.48Å; F432-L435 WeakPolarHBondContact O-CB 3.2Å; F432-L435 PolarHBondContact O-N 3.19Å
433N91Very high77.8Confident71 Ų7162.1 Ų62.138%0.3834%0.335SS..Hα-helixtrans-68.3-40.8178.1-67.5-16.3000111.8K300 R429 R430 V431 L435K300-N433 PolarHBondContact NZ-O 3.23Å; R429-N433 VanDerWaalsContact O-CG 3.23Å; R429-N433 PolarHBondContact O-N 3.38Å; R429-N433 PolarHBondContact O-ND2 3.34Å; R429-N433 PolarHBondContact O-OD1 3.34Å; R430-N433 PolarHBondContact O-N 2.94Å; R430-N433 VanDerWaalsContact O-N 3.16Å; V431-N433 VanDerWaalsContact C-N 3.33Å; V431-N433 PolarHBondContact O-N 3.02Å; N433-L435 VanDerWaalsContact C-N 3.25Å; N433-L435 PolarHBondContact O-N 2.91Å
434E91Very high75.2Confident112 Ų11264.8 Ų64.852%0.52334%0.339SS..Hα-helixtrans-69.4-21.6178.7-69165.6-168.100113.2R430 V431 I436R430-E434 VanDerWaalsContact CG-OE1 3.26Å; R430-E434 WeakPolarHBondContact CG-OE1 3.5Å; R430-E434 IonicContact NH1-OE1 3.68Å; R430-E434 PolarHBondContact NH1-OE1 2.87Å; R430-E434 IonicContact NH1-OE2 2.82Å; R430-E434 PolarHBondContact NH1-OE2 3.46Å; R430-E434 VanDerWaalsContact NH1-OE2 3.08Å; R430-E434 PolarHBondContact O-N 2.96Å; R430-E434 VanDerWaalsContact O-N 3.1Å; V431-E434 PolarHBondContact O-N 3.26Å; E434-I436 PolarHBondContact O-N 3.09Å
435L89.1Confident72.6Confident9 Ų968.2 Ų68.25%0.04735%0.354CS..THydrogen-bonded Turntrans-60.3131.3-178.4-170.571.6000112.2K300 F328 I329 V332 F333 V431 F432 N433 G437K300-L435 PolarHBondContact NZ-O 3.33Å; F328-L435 HydrophobicContact CD1-CD2 3.86Å; F328-L435 HydrophobicContact CE1-CD2 3.85Å; I329-L435 HydrophobicContact CB-CD2 4.35Å; I329-L435 HydrophobicContact CG1-CD2 3.99Å; I329-L435 HydrophobicContact CG2-CD1 4.32Å; V332-L435 HydrophobicContact CB-CD2 4.05Å; V332-L435 HydrophobicContact CG1-CD1 4.06Å; V332-L435 HydrophobicContact CG1-CD2 4.08Å; V332-L435 HydrophobicContact CG1-CG 4.15Å; V332-L435 HydrophobicContact CG2-CD2 4Å; F333-L435 HydrophobicContact CD2-CD1 4.41Å; F333-L435 HydrophobicContact CE2-CD1 3.73Å; F333-L435 HydrophobicContact CZ-CD1 3.92Å; V431-L435 PolarHBondContact O-N 2.66Å; F432-L435 WeakPolarHBondContact O-CB 3.2Å; F432-L435 PolarHBondContact O-N 3.19Å; N433-L435 VanDerWaalsContact C-N 3.25Å; N433-L435 PolarHBondContact O-N 2.91Å; L435-G437 PolarHBondContact O-N 3.31Å
436I81.7Confident70.1Confident33 Ų3375.6 Ų75.617%0.16939%0.389CS..THydrogen-bonded Turntrans55.715.1173.159175.7000116.9L296 R297 K300 V332 I336 E434L296-I436 VanDerWaalsContact C-CD1 3.47Å; L296-I436 HydrophobicContact CB-CD1 3.8Å; R297-I436 HydrophobicContact CB-CD1 4.34Å; R297-I436 HydrophobicContact CG-CD1 3.79Å; R297-I436 HydrophobicContact CG-CG1 4.1Å; R297-I436 PolarHBondContact NE-O 2.97Å; K300-I436 HydrophobicContact CB-CD1 4.39Å; K300-I436 HydrophobicContact CD-CD1 4.3Å; K300-I436 HydrophobicContact CD-CG1 4.07Å; V332-I436 HydrophobicContact CG1-CG2 3.61Å; I336-I436 HydrophobicContact CD1-CG2 3.81Å; E434-I436 PolarHBondContact O-N 3.09Å
437G67.8Low67.9Low37 Ų3776.3 Ų76.338%0.38140%0.397SS..  trans68154.8-173.200000112.1L435L435-G437 PolarHBondContact O-N 3.31Å
438D55.2Low66.3Low80 Ų8075 Ų7543%0.42839%0.39SS..  trans-95.6134166.6-73.1-33.6000108.2K300 E440 S441K300-D438 WeakPolarHBondContact CE-OD1 3.26Å; K300-D438 IonicContact NZ-OD1 2.74Å; K300-D438 PolarHBondContact NZ-OD1 3.39Å; D438-E440 HydrophobicContact CB-CB 4.17Å; D438-E440 PolarHBondContact O-N 3.26Å; D438-S441 PolarHBondContact O-N 3.02Å
439D49.7Very low64.7Low76 Ų7677.2 Ų77.241%0.40641%0.406SS..THydrogen-bonded Turntrans-62.8-3164.7-77.7-17.7000111.5Q294 R297 S441Q294-D439 PolarHBondContact NE2-OD2 3.45Å; Q294-D439 PolarHBondContact OE1-OD2 2.7Å; R297-D439 WeakPolarHBondContact CD-OD1 3.46Å; R297-D439 IonicContact CZ-OD1 3.79Å; R297-D439 IonicContact NE-OD1 3.84Å; R297-D439 IonicContact NH1-OD1 2.98Å; R297-D439 PolarHBondContact NH1-OD1 3.45Å; D439-S441 PolarHBondContact O-N 3.16Å
440E43.2Very low63.8Low159 Ų15980.9 Ų80.974%0.74343%0.425SS*.THydrogen-bonded Turntrans-79.77.7177.9-65.6-170.617700113.9D438 E442D438-E440 HydrophobicContact CB-CB 4.17Å; D438-E440 PolarHBondContact O-N 3.26Å; E440-E442 VanDerWaalsContact C-N 3.27Å; E440-E442 PolarHBondContact O-N 2.93Å
441S34.4Very low63.1Low98 Ų9880.8 Ų80.869%0.68543%0.428SS*.SBendtrans-71.890.6158.857.10000108.8D438 D439 T443D438-S441 PolarHBondContact O-N 3.02Å; D439-S441 PolarHBondContact O-N 3.16Å; S441-T443 PolarHBondContact O-N 3.03Å
442E33.2Very low62.8Low178 Ų17882.2 Ų82.283%0.83243%0.433SS*.  trans12.981.7163-70.4178.217500112.8E440 Q444E440-E442 VanDerWaalsContact C-N 3.27Å; E440-E442 PolarHBondContact O-N 2.93Å; E442-Q444 PolarHBondContact O-N 3.44Å
443T37.7Very low62.3Low68 Ų6887.2 Ų87.242%0.41745%0.452SS..  trans-48.9133.5177.337.60000109.7S441 E445 E446S441-T443 PolarHBondContact O-N 3.03Å; T443-E445 PolarHBondContact O-N 2.9Å; T443-E446 PolarHBondContact O-N 3.48Å; T443-E446 VanDerWaalsContact O-N 3.07Å
444Q42.5Very low62Low112 Ų11288.1 Ų88.152%0.52345%0.454SS..G310 helixtrans-50.8-8.4165.9-70.6-179.8-1400113.3E442 E446 S447E442-Q444 PolarHBondContact O-N 3.44Å; Q444-E446 PolarHBondContact O-N 2.89Å; Q444-E446 VanDerWaalsContact O-N 3.13Å; Q444-S447 PolarHBondContact O-N 3.3Å; Q444-S447 PolarHBondContact O-OG 3.1Å
445E42.5Very low62Low106 Ų10683.4 Ų83.450%0.49543%0.432SS..G310 helixtrans-50.6-23.8164.8-67.3-168.8159.700114.6T443 H506T443-E445 PolarHBondContact O-N 2.9Å; E445-H506 IonicContact OE1-CE1 3.33Å; E445-H506 PolarHBondContact OE1-CE1 3.1Å; E445-H506 VanDerWaalsContact OE1-CE1 3.31Å; E445-H506 IonicContact OE1-ND1 3.88Å; E445-H506 PolarHBondContact OE1-ND1 3.06Å
446E44.7Very low62.1Low180 Ų18083.1 Ų83.184%0.84143%0.43SS*.G310 helixtrans-86.9-9.4173.1-73.8-165.7166.700114.8T443 Q444T443-E446 PolarHBondContact O-N 3.48Å; T443-E446 VanDerWaalsContact O-N 3.07Å; Q444-E446 PolarHBondContact O-N 2.89Å; Q444-E446 VanDerWaalsContact O-N 3.13Å
447S50.1Low62.2Low97 Ų9787 Ų8768%0.67845%0.448SS*.THydrogen-bonded Turntrans-99.2-20.3-177.984.40000114.8Q444Q444-S447 PolarHBondContact O-N 3.3Å; Q444-S447 PolarHBondContact O-OG 3.1Å
448L62.2Low63Low23 Ų2388.4 Ų88.412%0.1245%0.447CS..SBendtrans-79.7127.5178-107.5123.6000111.8E450 W452 P509 H510L448-E450 PolarHBondContact O-N 3.45Å; L448-W452 HydrophobicContact CD2-CB 3.54Å; L448-W452 HydrophobicContact CD2-CG 3.88Å; L448-P509 HydrophobicContact CD2-CB 4.31Å; L448-H510 HydrophobicContact CD1-CB 4.25Å; L448-H510 WeakPolarHBondContact CD1-CD2 3.19Å; L448-H510 VanDerWaalsContact CD1-CG 3.48Å; L448-H510 WeakPolarHBondContact CD1-NE2 3.43Å
449S63.4Low64.2Low47 Ų4784.8 Ų84.833%0.32943%0.428SS..  trans-57.5141175.274.40000110.4Q451 W452S449-Q451 PolarHBondContact O-N 3.42Å; S449-Q451 VanDerWaalsContact O-N 3.08Å; S449-W452 PolarHBondContact O-N 2.94Å; S449-W452 VanDerWaalsContact O-N 3.09Å
450E75.4Confident65.5Low132 Ų13285.5 Ų85.562%0.61743%0.431SS*.Hα-helixtrans-52.1-31.5176.4-163.7165.8-163.500111.8L448 W452 R453 E454L448-E450 PolarHBondContact O-N 3.45Å; E450-W452 VanDerWaalsContact C-N 3.34Å; E450-W452 PolarHBondContact O-N 3.45Å; E450-R453 WeakPolarHBondContact O-CB 3.43Å; E450-R453 PolarHBondContact O-N 3.41Å; E450-R453 VanDerWaalsContact O-N 3.09Å; E450-E454 WeakPolarHBondContact O-CG 3.1Å; E450-E454 PolarHBondContact O-N 3.29Å
451Q81Confident67.3Low75 Ų7584.2 Ų84.235%0.3543%0.425SS..Hα-helixtrans-59-35.2178.3-61.9176.1-15.900114.3S449 L455 V468S449-Q451 PolarHBondContact O-N 3.42Å; S449-Q451 VanDerWaalsContact O-N 3.08Å; Q451-L455 PolarHBondContact O-N 3.38Å; Q451-V468 HydrophobicContact CB-CG1 3.67Å
452W88.2Confident69.6Low32 Ų3283.1 Ų83.112%0.12141%0.409CS..Hα-helixtrans-74.9-31.4177.4-70.2118000112.4L448 S449 E450 L455 W456 V468 L512 C516L448-W452 HydrophobicContact CD2-CB 3.54Å; L448-W452 HydrophobicContact CD2-CG 3.88Å; S449-W452 PolarHBondContact O-N 2.94Å; S449-W452 VanDerWaalsContact O-N 3.09Å; E450-W452 VanDerWaalsContact C-N 3.34Å; E450-W452 PolarHBondContact O-N 3.45Å; W452-L455 HydrophobicContact CE3-CD2 3.78Å; W452-L455 HydrophobicContact CZ3-CD2 3.73Å; W452-W456 PolarHBondContact O-N 3.24Å; W452-V468 HydrophobicContact CD2-CB 4.2Å; W452-V468 HydrophobicContact CD2-CG1 4.09Å; W452-V468 HydrophobicContact CD2-CG2 4.31Å; W452-V468 HydrophobicContact CE3-CB 4.09Å; W452-V468 HydrophobicContact CE3-CG1 4.4Å; W452-V468 HydrophobicContact CE3-CG2 3.78Å; W452-V468 HydrophobicContact CH2-CB 3.54Å; W452-V468 HydrophobicContact CH2-CG1 4.36Å; W452-V468 HydrophobicContact CH2-CG2 3.84Å; W452-V468 HydrophobicContact CZ2-CB 3.65Å; W452-V468 HydrophobicContact CZ2-CG1 4.04Å; W452-V468 HydrophobicContact CZ2-CG2 4.36Å; W452-V468 HydrophobicContact CZ3-CB 3.75Å; W452-V468 HydrophobicContact CZ3-CG2 3.5Å; W452-L512 HydrophobicContact CE3-CB 4.46Å; W452-L512 WeakPolarHBondContact CZ3-O 3.46Å; W452-C516 HydrophobicContact CH2-CB 3.73Å; W452-C516 HydrophobicContact CZ3-CB 3.63Å
453R85Confident71.7Confident107 Ų10778.3 Ų78.340%0.40439%0.389SS..Hα-helixtrans-68.8-43.3172.1-73.5-178-78.6166.9-4.4110.4E450 W456 Q457 P509E450-R453 WeakPolarHBondContact O-CB 3.43Å; E450-R453 PolarHBondContact O-N 3.41Å; E450-R453 VanDerWaalsContact O-N 3.09Å; R453-W456 PolarHBondContact O-N 3.16Å; R453-Q457 WeakPolarHBondContact O-CB 3.4Å; R453-Q457 VanDerWaalsContact O-CG 3.25Å; R453-Q457 WeakPolarHBondContact O-CG 3.4Å; R453-Q457 PolarHBondContact O-N 3.39Å; R453-P509 HydrophobicContact CG-CB 4.06Å; R453-P509 HydrophobicContact CG-CG 4.1Å
454E84.9Confident73.8Confident90 Ų9078.8 Ų78.842%0.42139%0.389SS..Hα-helixtrans-58.3-45.7173.5-72.2176.2163.900111.4E450 W456 Q457 D458E450-E454 WeakPolarHBondContact O-CG 3.1Å; E450-E454 PolarHBondContact O-N 3.29Å; E454-W456 PolarHBondContact O-N 3.12Å; E454-W456 VanDerWaalsContact O-N 3.16Å; E454-Q457 PolarHBondContact O-N 3.05Å; E454-Q457 VanDerWaalsContact O-N 3.17Å; E454-D458 WeakPolarHBondContact O-CB 3.48Å; E454-D458 PolarHBondContact O-N 3.16Å
455L89.5Confident75.6Confident12 Ų1279 Ų796%0.06340%0.398CS..Hα-helixtrans-54.5-39177.8-17566.6000112.6Q451 W452 A459 T466 V468 L469 L481 I484 L512Q451-L455 PolarHBondContact O-N 3.38Å; W452-L455 HydrophobicContact CE3-CD2 3.78Å; W452-L455 HydrophobicContact CZ3-CD2 3.73Å; L455-A459 WeakPolarHBondContact O-CA 3.44Å; L455-A459 WeakPolarHBondContact O-CB 3.39Å; L455-A459 PolarHBondContact O-N 3.44Å; L455-T466 HydrophobicContact CD1-CG2 4.11Å; L455-V468 HydrophobicContact CD2-CG2 4.08Å; L455-L469 HydrophobicContact CD1-CD1 4.18Å; L455-L481 HydrophobicContact CD1-CD2 3.93Å; L455-I484 HydrophobicContact CD1-CD1 4.16Å; L455-I484 HydrophobicContact CD2-CD1 3.85Å; L455-I484 HydrophobicContact CG-CD1 3.9Å; L455-L512 HydrophobicContact CD2-CB 4.48Å; L455-L512 HydrophobicContact CD2-CD1 4.4Å
456W91.6Very high77.5Confident4 Ų474.7 Ų74.72%0.01538%0.379CS..Hα-helixtrans-75.2-53.2174.1176.3-125.2000111.8W452 R453 E454 D458 A459 I484 F487 R488 L491 D505 M508 P509 L512W452-W456 PolarHBondContact O-N 3.24Å; R453-W456 PolarHBondContact O-N 3.16Å; E454-W456 PolarHBondContact O-N 3.12Å; E454-W456 VanDerWaalsContact O-N 3.16Å; W456-D458 VanDerWaalsContact C-N 3.29Å; W456-D458 PolarHBondContact O-N 3.01Å; W456-A459 HydrophobicContact CE3-CB 4.4Å; W456-A459 WeakPolarHBondContact O-CB 3.49Å; W456-A459 PolarHBondContact O-N 3.38Å; W456-A459 VanDerWaalsContact O-N 3.13Å; W456-I484 HydrophobicContact CE3-CG2 3.94Å; W456-I484 HydrophobicContact CZ3-CG2 4.18Å; W456-F487 AromaticContact CH2-CD1 3.94Å; W456-F487 HydrophobicContact CH2-CD1 3.94Å; W456-F487 HydrophobicContact CH2-CE1 4.21Å; W456-F487 HydrophobicContact CZ3-CD1 4.02Å; W456-R488 VanDerWaalsContact CE2-NH1 3.3Å; W456-R488 HydrophobicContact CH2-CB 3.78Å; W456-R488 HydrophobicContact CH2-CG 3.84Å; W456-R488 HydrophobicContact CZ2-CG 4.35Å; W456-R488 HydrophobicContact CZ3-CB 3.8Å; W456-R488 HydrophobicContact CZ3-CG 4.14Å; W456-R488 PolarHBondContact O-NH1 2.95Å; W456-L491 HydrophobicContact CH2-CD1 3.5Å; W456-L491 VanDerWaalsContact CH2-CD1 3.5Å; W456-L491 HydrophobicContact CH2-CG 4.46Å; W456-L491 HydrophobicContact CZ2-CD1 3.55Å; W456-D505 PolarHBondContact NE1-OD1 3.05Å; W456-M508 HydrophobicContact CD2-CB 3.72Å; W456-M508 HydrophobicContact CD2-CG 4.14Å; W456-M508 HydrophobicContact CE3-CB 4.17Å; W456-M508 HydrophobicContact CE3-CE 4.03Å; W456-M508 HydrophobicContact CE3-CG 4.35Å; W456-M508 HydrophobicContact CG-CB 3.88Å; W456-M508 HydrophobicContact CH2-CE 4.42Å; W456-M508 HydrophobicContact CH2-CG 4.23Å; W456-M508 HydrophobicContact CZ2-CB 4.44Å; W456-M508 HydrophobicContact CZ2-CG 4.01Å; W456-M508 HydrophobicContact CZ3-CE 3.89Å; W456-M508 HydrophobicContact CZ3-CG 4.4Å; W456-P509 HydrophobicContact CB-CG 4.29Å; W456-L512 HydrophobicContact CB-CD1 4.19Å; W456-L512 HydrophobicContact CE3-CD1 4.45Å
457Q84.8Confident79.5Confident114 Ų11470 Ų7053%0.53336%0.364SS..Hα-helixtrans-58.4-41.2-174.3-72.6173.56.400112.5R453 E454 R488R453-Q457 WeakPolarHBondContact O-CB 3.4Å; R453-Q457 VanDerWaalsContact O-CG 3.25Å; R453-Q457 WeakPolarHBondContact O-CG 3.4Å; R453-Q457 PolarHBondContact O-N 3.39Å; E454-Q457 PolarHBondContact O-N 3.05Å; E454-Q457 VanDerWaalsContact O-N 3.17Å; Q457-R488 VanDerWaalsContact O-CZ 3.3Å; Q457-R488 PolarHBondContact O-NH2 3Å; Q457-R488 VanDerWaalsContact O-NH2 3.07Å
458D84.2Confident81.3Confident67 Ų6766.2 Ų66.236%0.35834%0.337SS..THydrogen-bonded Turntrans-99.817.4-179.3-64.2-42.7000112.8E454 W456 L460 Q461E454-D458 WeakPolarHBondContact O-CB 3.48Å; E454-D458 PolarHBondContact O-N 3.16Å; W456-D458 VanDerWaalsContact C-N 3.29Å; W456-D458 PolarHBondContact O-N 3.01Å; D458-L460 PolarHBondContact O-N 2.81Å; D458-Q461 HydrophobicContact CB-CB 4.46Å; D458-Q461 HydrophobicContact CB-CG 3.99Å; D458-Q461 WeakPolarHBondContact O-CA 3.39Å; D458-Q461 VanDerWaalsContact O-CB 3.28Å; D458-Q461 WeakPolarHBondContact O-CB 3.44Å; D458-Q461 WeakPolarHBondContact O-CG 3.18Å; D458-Q461 PolarHBondContact O-N 2.86Å; D458-Q461 PolarHBondContact OD1-NE2 2.9Å
459A79.8Confident82.8Confident4 Ų465.1 Ų65.13%0.03333%0.331CS..G310 helixtrans-52.9-28.8-178.600000114.1L455 W456 Q461 E462 I484 A485 R488L455-A459 WeakPolarHBondContact O-CA 3.44Å; L455-A459 WeakPolarHBondContact O-CB 3.39Å; L455-A459 PolarHBondContact O-N 3.44Å; W456-A459 HydrophobicContact CE3-CB 4.4Å; W456-A459 WeakPolarHBondContact O-CB 3.49Å; W456-A459 PolarHBondContact O-N 3.38Å; W456-A459 VanDerWaalsContact O-N 3.13Å; A459-Q461 VanDerWaalsContact C-N 3.28Å; A459-Q461 PolarHBondContact O-N 3.17Å; A459-E462 PolarHBondContact O-N 3.39Å; A459-I484 HydrophobicContact CB-CB 4.4Å; A459-I484 HydrophobicContact CB-CG2 3.45Å; A459-I484 VanDerWaalsContact CB-CG2 3.45Å; A459-A485 WeakPolarHBondContact O-CB 3.45Å; A459-R488 HydrophobicContact CB-CB 4.49Å
460L77.3Confident84.1Confident91 Ų9166.3 Ų66.348%0.47634%0.344SS..G310 helixtrans-75.3-14.6177.1-59.1179.5000113.8D458 R488 K489D458-L460 PolarHBondContact O-N 2.81Å; L460-R488 HydrophobicContact CD2-CB 4.3Å; L460-R488 HydrophobicContact CD2-CG 4.37Å; L460-K489 HydrophobicContact CD2-CG 3.87Å
461Q80.9Confident85Confident131 Ų13164.7 Ų64.761%0.61234%0.336SS*.G310 helixtrans-79.6-23.3175.7-53.6-169.227.100111.9D458 A459 D463D458-Q461 HydrophobicContact CB-CB 4.46Å; D458-Q461 HydrophobicContact CB-CG 3.99Å; D458-Q461 WeakPolarHBondContact O-CA 3.39Å; D458-Q461 VanDerWaalsContact O-CB 3.28Å; D458-Q461 WeakPolarHBondContact O-CB 3.44Å; D458-Q461 WeakPolarHBondContact O-CG 3.18Å; D458-Q461 PolarHBondContact O-N 2.86Å; D458-Q461 PolarHBondContact OD1-NE2 2.9Å; A459-Q461 VanDerWaalsContact C-N 3.28Å; A459-Q461 PolarHBondContact O-N 3.17Å; Q461-D463 VanDerWaalsContact C-N 3.34Å; Q461-D463 PolarHBondContact O-N 3.36Å
462E81.8Confident85.6Confident75 Ų7561.7 Ų61.735%0.3532%0.323SS..  trans51.549.2-177.9-61.6-178-127.400112.1A459 D464 L481 A485 K489A459-E462 PolarHBondContact O-N 3.39Å; E462-D464 PolarHBondContact O-N 2.93Å; E462-D464 VanDerWaalsContact O-N 3.08Å; E462-L481 HydrophobicContact CB-CB 4.39Å; E462-A485 HydrophobicContact CG-CB 3.79Å; E462-K489 IonicContact OE1-NZ 2.74Å
463D78.8Confident85.9Confident78 Ų7863 Ų6342%0.41734%0.336SS..  trans-68.1103.6-176.9-171.3-11.5000112.4Q461 T465Q461-D463 VanDerWaalsContact C-N 3.34Å; Q461-D463 PolarHBondContact O-N 3.36Å; D463-T465 PolarHBondContact O-N 3.26Å; D463-T465 VanDerWaalsContact O-N 3.16Å; D463-T465 WeakPolarHBondContact OD1-CB 3.33Å; D463-T465 PolarHBondContact OD1-N 3.23Å; D463-T465 PolarHBondContact OD1-OG1 3.35Å
464D80.7Confident86.3Confident77 Ų7765 Ų6541%0.41235%0.35SS..THydrogen-bonded Turntrans-69.4-5.8-179.8-160.242.1000114E462 R477 L481E462-D464 PolarHBondContact O-N 2.93Å; E462-D464 VanDerWaalsContact O-N 3.08Å; D464-R477 PolarHBondContact O-NE 3.45Å; D464-R477 WeakPolarHBondContact OD1-CD 3.31Å; D464-R477 IonicContact OD1-CZ 2.77Å; D464-R477 IonicContact OD1-NE 3.72Å; D464-R477 PolarHBondContact OD1-NE 3.47Å; D464-R477 IonicContact OD1-NH2 3.84Å; D464-R477 IonicContact OD2-CZ 3.22Å; D464-R477 IonicContact OD2-NE 3.14Å; D464-R477 IonicContact OD2-NH2 2.77Å; D464-R477 PolarHBondContact OD2-NH2 3.33Å; D464-L481 HydrophobicContact CB-CD1 4.34Å
465T81Confident86.7Confident116 Ų11667 Ų6771%0.71236%0.364SS*.THydrogen-bonded Turntrans-1035.8-177.267.40000114.6D463D463-T465 PolarHBondContact O-N 3.26Å; D463-T465 VanDerWaalsContact O-N 3.16Å; D463-T465 WeakPolarHBondContact OD1-CB 3.33Å; D463-T465 PolarHBondContact OD1-N 3.23Å; D463-T465 PolarHBondContact OD1-OG1 3.35Å
466T82.3Confident87Confident16 Ų1669.4 Ų69.410%0.09838%0.377CS..  trans-62.7126.5-180-173.30000112.4L455 V468 L469L455-T466 HydrophobicContact CD1-CG2 4.11Å; T466-V468 HydrophobicContact CG2-CG2 4.19Å; T466-V468 PolarHBondContact O-N 2.89Å; T466-V468 VanDerWaalsContact O-N 3.14Å; T466-L469 HydrophobicContact CG2-CB 3.94Å; T466-L469 HydrophobicContact CG2-CD1 3.64Å; T466-L469 HydrophobicContact CG2-CG 3.64Å; T466-L469 PolarHBondContact O-N 2.91Å
467P86Confident87.1Confident82 Ų8270.9 Ų70.953%0.53238%0.383SS..G310 helixtrans-60.7-27.4-175.8-26.335.1000114.3L469 A470P467-L469 PolarHBondContact O-N 3.08Å; P467-A470 WeakPolarHBondContact O-CB 3.29Å; P467-A470 PolarHBondContact O-N 3.25Å
468V89.5Confident87.5Confident17 Ų1772.1 Ų72.110%0.10339%0.386CS..G310 helixtrans-72.4-12.4-175.2-56.40000113.7Q451 W452 L455 T466 H471Q451-V468 HydrophobicContact CB-CG1 3.67Å; W452-V468 HydrophobicContact CD2-CB 4.2Å; W452-V468 HydrophobicContact CD2-CG1 4.09Å; W452-V468 HydrophobicContact CD2-CG2 4.31Å; W452-V468 HydrophobicContact CE3-CB 4.09Å; W452-V468 HydrophobicContact CE3-CG1 4.4Å; W452-V468 HydrophobicContact CE3-CG2 3.78Å; W452-V468 HydrophobicContact CH2-CB 3.54Å; W452-V468 HydrophobicContact CH2-CG1 4.36Å; W452-V468 HydrophobicContact CH2-CG2 3.84Å; W452-V468 HydrophobicContact CZ2-CB 3.65Å; W452-V468 HydrophobicContact CZ2-CG1 4.04Å; W452-V468 HydrophobicContact CZ2-CG2 4.36Å; W452-V468 HydrophobicContact CZ3-CB 3.75Å; W452-V468 HydrophobicContact CZ3-CG2 3.5Å; L455-V468 HydrophobicContact CD2-CG2 4.08Å; T466-V468 HydrophobicContact CG2-CG2 4.19Å; T466-V468 PolarHBondContact O-N 2.89Å; T466-V468 VanDerWaalsContact O-N 3.14Å; V468-H471 PolarHBondContact O-CE1 3.1Å
469L92.8Very high88.1Confident0 Ų073.2 Ų73.20%039%0.389CS..G310 helixtrans-1117.6176.3-57.2-178.4000112.9L455 T466 P467 H471 L472 R477 V480 L481 C516L455-L469 HydrophobicContact CD1-CD1 4.18Å; T466-L469 HydrophobicContact CG2-CB 3.94Å; T466-L469 HydrophobicContact CG2-CD1 3.64Å; T466-L469 HydrophobicContact CG2-CG 3.64Å; T466-L469 PolarHBondContact O-N 2.91Å; P467-L469 PolarHBondContact O-N 3.08Å; L469-H471 PolarHBondContact O-N 3.47Å; L469-L472 HydrophobicContact CB-CD1 4.42Å; L469-L472 HydrophobicContact CD2-CD1 4.03Å; L469-L472 PolarHBondContact O-N 2.88Å; L469-R477 HydrophobicContact CB-CG 3.8Å; L469-R477 HydrophobicContact CD1-CG 4.08Å; L469-V480 HydrophobicContact CD1-CG1 4.01Å; L469-V480 HydrophobicContact CD2-CG1 3.98Å; L469-L481 HydrophobicContact CD1-CD2 3.9Å; L469-L481 HydrophobicContact CD1-CG 3.93Å; L469-C516 HydrophobicContact CD2-CB 3.65Å
470A91.1Very high88.8Confident72 Ų7273 Ų7360%0.59539%0.387SS*.THydrogen-bonded Turntrans-68.3-18.4-173.200000114.3P467 L472P467-A470 WeakPolarHBondContact O-CB 3.29Å; P467-A470 PolarHBondContact O-N 3.25Å; A470-L472 VanDerWaalsContact C-N 3.34Å
471H93.5Very high89.7Confident99 Ų9969 Ų6946%0.45837%0.367SS..THydrogen-bonded Turntrans-79-16.5175.964-73.1000113.4V468 L469 C516 R518V468-H471 PolarHBondContact O-CE1 3.1Å; L469-H471 PolarHBondContact O-N 3.47Å; H471-C516 PolarHBondContact CE1-O 3.16Å; H471-C516 PolarHBondContact NE2-O 3.49Å; H471-R518 PolarHBondContact NE2-O 2.73Å
472L93.9Very high90.4Very high12 Ų1264.8 Ų64.86%0.06335%0.35CS..SBendtrans-81.2154.4-179.6-59.5179.6000111.7L469 A470 D476 R477 V480 A521L469-L472 HydrophobicContact CB-CD1 4.42Å; L469-L472 HydrophobicContact CD2-CD1 4.03Å; L469-L472 PolarHBondContact O-N 2.88Å; A470-L472 VanDerWaalsContact C-N 3.34Å; L472-D476 HydrophobicContact CB-CB 4.15Å; L472-R477 HydrophobicContact CB-CB 4.23Å; L472-V480 HydrophobicContact CD1-CG2 3.95Å; L472-A521 HydrophobicContact CD1-CB 4Å; L472-A521 HydrophobicContact CD2-CB 3.96Å
473S94.3Very high91.1Very high58 Ų5862.2 Ų62.241%0.40634%0.338SS..  trans-62.2159.6169.376.80000110.9D475 D476 R477S473-D475 VanDerWaalsContact C-N 3.26Å; S473-D475 PolarHBondContact O-N 2.88Å; S473-D476 PolarHBondContact O-N 2.74Å; S473-D476 WeakPolarHBondContact OG-CB 3.49Å; S473-D476 PolarHBondContact OG-N 3.29Å; S473-D476 VanDerWaalsContact OG-N 3.14Å; S473-D476 PolarHBondContact OG-OD2 3.13Å; S473-R477 WeakPolarHBondContact O-CB 3.29Å; S473-R477 PolarHBondContact O-N 3.38Å
474E92.9Very high91.9Very high150 Ų15058.6 Ų58.670%0.70132%0.319SS*.Hα-helixtrans-58.3-40.3178.4-64.5-172.3177.900112.1K478E474-K478 WeakPolarHBondContact O-CB 3.45Å; E474-K478 PolarHBondContact O-N 2.78Å; E474-K478 VanDerWaalsContact O-N 3.09Å
475D94.7Very high92.5Very high133 Ų13354.9 Ų54.971%0.71130%0.299SS*.Hα-helixtrans-67.3-44.2178.2-71.1-28.6000111.6S473 K478 Q479S473-D475 VanDerWaalsContact C-N 3.26Å; S473-D475 PolarHBondContact O-N 2.88Å; D475-K478 PolarHBondContact O-N 2.88Å; D475-Q479 WeakPolarHBondContact O-CB 3.15Å; D475-Q479 PolarHBondContact O-N 2.81Å
476D94.5Very high93.2Very high62 Ų6253 Ų5333%0.33229%0.285SS..Hα-helixtrans-67.8-41.4179.1-68.5-42.5000111.9L472 S473 K478 Q479 V480 A522L472-D476 HydrophobicContact CB-CB 4.15Å; S473-D476 PolarHBondContact O-N 2.74Å; S473-D476 WeakPolarHBondContact OG-CB 3.49Å; S473-D476 PolarHBondContact OG-N 3.29Å; S473-D476 VanDerWaalsContact OG-N 3.14Å; S473-D476 PolarHBondContact OG-OD2 3.13Å; D476-K478 PolarHBondContact O-N 3.43Å; D476-Q479 PolarHBondContact O-N 3.24Å; D476-V480 WeakPolarHBondContact O-CB 3.46Å; D476-V480 VanDerWaalsContact O-CG2 3.32Å; D476-V480 WeakPolarHBondContact O-CG2 3.48Å; D476-V480 PolarHBondContact O-N 2.9Å; D476-A522 HydrophobicContact CB-CB 4.27Å
477R93.9Very high93.8Very high35 Ų3552.5 Ų52.513%0.13228%0.281CS..Hα-helixtrans-61-46177.4-177.4170.166.5-112.9-1.4110.9D464 L469 L472 S473 Q479 V480 L481D464-R477 PolarHBondContact O-NE 3.45Å; D464-R477 WeakPolarHBondContact OD1-CD 3.31Å; D464-R477 IonicContact OD1-CZ 2.77Å; D464-R477 IonicContact OD1-NE 3.72Å; D464-R477 PolarHBondContact OD1-NE 3.47Å; D464-R477 IonicContact OD1-NH2 3.84Å; D464-R477 IonicContact OD2-CZ 3.22Å; D464-R477 IonicContact OD2-NE 3.14Å; D464-R477 IonicContact OD2-NH2 2.77Å; D464-R477 PolarHBondContact OD2-NH2 3.33Å; L469-R477 HydrophobicContact CB-CG 3.8Å; L469-R477 HydrophobicContact CD1-CG 4.08Å; L472-R477 HydrophobicContact CB-CB 4.23Å; S473-R477 WeakPolarHBondContact O-CB 3.29Å; S473-R477 PolarHBondContact O-N 3.38Å; R477-Q479 PolarHBondContact O-N 3.22Å; R477-V480 PolarHBondContact O-N 3.21Å; R477-L481 HydrophobicContact CG-CD1 4.3Å; R477-L481 WeakPolarHBondContact O-CG 3.49Å; R477-L481 PolarHBondContact O-N 3.09Å
478K94.2Very high94.1Very high139 Ų13951.3 Ų51.360%0.60427%0.266SS*.Hα-helixtrans-60.4-45.1175.1-174.7179.5-179.9-178.80111.6E474 D475 D476 L481 T482E474-K478 WeakPolarHBondContact O-CB 3.45Å; E474-K478 PolarHBondContact O-N 2.78Å; E474-K478 VanDerWaalsContact O-N 3.09Å; D475-K478 PolarHBondContact O-N 2.88Å; D476-K478 PolarHBondContact O-N 3.43Å; K478-L481 PolarHBondContact O-N 3.43Å; K478-T482 PolarHBondContact O-N 2.83Å; K478-T482 PolarHBondContact O-OG1 2.96Å
479Q95.3Very high94.2Very high90 Ų9054.4 Ų54.442%0.42128%0.278SS..Hα-helixtrans-62.8-42.7178.3-176.360.630.700112D475 D476 R477 T482 L483 A522D475-Q479 WeakPolarHBondContact O-CB 3.15Å; D475-Q479 PolarHBondContact O-N 2.81Å; D476-Q479 PolarHBondContact O-N 3.24Å; R477-Q479 PolarHBondContact O-N 3.22Å; Q479-T482 PolarHBondContact O-N 2.99Å; Q479-L483 HydrophobicContact CG-CD1 4.15Å; Q479-L483 VanDerWaalsContact O-CG 3.27Å; Q479-L483 WeakPolarHBondContact O-CG 3.43Å; Q479-L483 PolarHBondContact O-N 3.14Å; Q479-A522 HydrophobicContact CB-CB 4.19Å; Q479-A522 HydrophobicContact CG-CB 4.01Å
480V96Very high94.2Very high0 Ų057.3 Ų57.30%029%0.292CS..Hα-helixtrans-59.7-50.1175.8165.60000110.6L469 L472 D476 R477 T482 L483 I484 A521 A522 L525L469-V480 HydrophobicContact CD1-CG1 4.01Å; L469-V480 HydrophobicContact CD2-CG1 3.98Å; L472-V480 HydrophobicContact CD1-CG2 3.95Å; D476-V480 WeakPolarHBondContact O-CB 3.46Å; D476-V480 VanDerWaalsContact O-CG2 3.32Å; D476-V480 WeakPolarHBondContact O-CG2 3.48Å; D476-V480 PolarHBondContact O-N 2.9Å; R477-V480 PolarHBondContact O-N 3.21Å; V480-T482 VanDerWaalsContact C-N 3.35Å; V480-T482 PolarHBondContact O-N 3.04Å; V480-L483 PolarHBondContact O-N 3.43Å; V480-L483 VanDerWaalsContact O-N 3.17Å; V480-I484 HydrophobicContact CG1-CD1 3.91Å; V480-I484 HydrophobicContact CG1-CG1 4.48Å; V480-I484 WeakPolarHBondContact O-CG1 3.42Å; V480-I484 PolarHBondContact O-N 3.36Å; V480-A521 HydrophobicContact CG2-CB 4.07Å; V480-A522 HydrophobicContact CG2-CB 4.1Å; V480-L525 HydrophobicContact CB-CD2 4.44Å; V480-L525 HydrophobicContact CG1-CD2 3.89Å; V480-L525 HydrophobicContact CG2-CD2 4.5Å
481L94.9Very high94.1Very high8 Ų854.3 Ų54.34%0.04227%0.266CS..Hα-helixtrans-59.2-44.6179-72.9167.6000112.1L455 E462 D464 L469 R477 K478 L483 I484 A485L455-L481 HydrophobicContact CD1-CD2 3.93Å; E462-L481 HydrophobicContact CB-CB 4.39Å; D464-L481 HydrophobicContact CB-CD1 4.34Å; L469-L481 HydrophobicContact CD1-CD2 3.9Å; L469-L481 HydrophobicContact CD1-CG 3.93Å; R477-L481 HydrophobicContact CG-CD1 4.3Å; R477-L481 WeakPolarHBondContact O-CG 3.49Å; R477-L481 PolarHBondContact O-N 3.09Å; K478-L481 PolarHBondContact O-N 3.43Å; L481-L483 PolarHBondContact O-N 2.93Å; L481-I484 PolarHBondContact O-N 2.96Å; L481-A485 WeakPolarHBondContact O-CB 3.48Å; L481-A485 PolarHBondContact O-N 2.98Å
482T95.6Very high93.7Very high41 Ų4154.1 Ų54.125%0.25227%0.268SS..Hα-helixtrans-60.1-43.1175.7-63.30000111.9K478 Q479 V480 I484 A485 D486K478-T482 PolarHBondContact O-N 2.83Å; K478-T482 PolarHBondContact O-OG1 2.96Å; Q479-T482 PolarHBondContact O-N 2.99Å; V480-T482 VanDerWaalsContact C-N 3.35Å; V480-T482 PolarHBondContact O-N 3.04Å; T482-I484 PolarHBondContact O-N 3.29Å; T482-A485 PolarHBondContact O-N 3.21Å; T482-D486 VanDerWaalsContact O-CB 3.32Å; T482-D486 WeakPolarHBondContact O-CB 3.23Å; T482-D486 PolarHBondContact O-N 3.08Å
483L96.4Very high93.4Very high21 Ų2160.6 Ų60.611%0.1130%0.296CS..Hα-helixtrans-63.3-41.6178.2-73.9166.6000112.7Q479 V480 L481 F487 A522 L525Q479-L483 HydrophobicContact CG-CD1 4.15Å; Q479-L483 VanDerWaalsContact O-CG 3.27Å; Q479-L483 WeakPolarHBondContact O-CG 3.43Å; Q479-L483 PolarHBondContact O-N 3.14Å; V480-L483 PolarHBondContact O-N 3.43Å; V480-L483 VanDerWaalsContact O-N 3.17Å; L481-L483 PolarHBondContact O-N 2.93Å; L483-F487 WeakPolarHBondContact O-CB 3.38Å; L483-F487 PolarHBondContact O-N 3.14Å; L483-A522 WeakPolarHBondContact CD1-O 3.26Å; L483-L525 HydrophobicContact CB-CD2 4.02Å; L483-L525 HydrophobicContact CB-CG 4.3Å; L483-L525 HydrophobicContact CD1-CB 4.27Å; L483-L525 HydrophobicContact CD1-CD2 4.44Å; L483-L525 HydrophobicContact CD1-CG 4.39Å
484I95.4Very high92.9Very high2 Ų262.4 Ų62.41%0.0129%0.293CS..Hα-helixtrans-66.1-45.6177.6-57.4170.9000109.8L455 W456 A459 V480 L481 T482 D486 F487 R488 L512 L525L455-I484 HydrophobicContact CD1-CD1 4.16Å; L455-I484 HydrophobicContact CD2-CD1 3.85Å; L455-I484 HydrophobicContact CG-CD1 3.9Å; W456-I484 HydrophobicContact CE3-CG2 3.94Å; W456-I484 HydrophobicContact CZ3-CG2 4.18Å; A459-I484 HydrophobicContact CB-CB 4.4Å; A459-I484 HydrophobicContact CB-CG2 3.45Å; A459-I484 VanDerWaalsContact CB-CG2 3.45Å; V480-I484 HydrophobicContact CG1-CD1 3.91Å; V480-I484 HydrophobicContact CG1-CG1 4.48Å; V480-I484 WeakPolarHBondContact O-CG1 3.42Å; V480-I484 PolarHBondContact O-N 3.36Å; L481-I484 PolarHBondContact O-N 2.96Å; T482-I484 PolarHBondContact O-N 3.29Å; I484-D486 PolarHBondContact O-N 3.24Å; I484-F487 PolarHBondContact O-N 3.42Å; I484-R488 PolarHBondContact O-N 3.16Å; I484-L512 HydrophobicContact CD1-CD1 4.14Å; I484-L512 HydrophobicContact CD1-CD2 3.86Å; I484-L512 HydrophobicContact CG1-CD1 4.48Å; I484-L512 HydrophobicContact CG1-CD2 3.86Å; I484-L512 HydrophobicContact CG2-CD1 4.13Å; I484-L525 HydrophobicContact CD1-CD2 4.34Å; I484-L525 HydrophobicContact CG1-CD2 3.73Å
485A94.6Very high92.1Very high0 Ų062.2 Ų62.20%030%0.303CS..Hα-helixtrans-61.6-44.3178.600000111.9A459 E462 L481 T482 R488 K489A459-A485 WeakPolarHBondContact O-CB 3.45Å; E462-A485 HydrophobicContact CG-CB 3.79Å; L481-A485 WeakPolarHBondContact O-CB 3.48Å; L481-A485 PolarHBondContact O-N 2.98Å; T482-A485 PolarHBondContact O-N 3.21Å; A485-R488 PolarHBondContact O-N 3.19Å; A485-K489 VanDerWaalsContact O-CG 3.27Å; A485-K489 WeakPolarHBondContact O-CG 3.39Å; A485-K489 PolarHBondContact O-N 3.11Å
486D95.2Very high91.4Very high77 Ų7756.6 Ų56.641%0.41227%0.273SS..Hα-helixtrans-66.7-40.5179-77.3-8.9000112T482 I484 R488 K489 E490T482-D486 VanDerWaalsContact O-CB 3.32Å; T482-D486 WeakPolarHBondContact O-CB 3.23Å; T482-D486 PolarHBondContact O-N 3.08Å; I484-D486 PolarHBondContact O-N 3.24Å; D486-R488 PolarHBondContact O-N 2.99Å; D486-K489 PolarHBondContact O-N 3.32Å; D486-K489 IonicContact OD1-NZ 3.2Å; D486-K489 PolarHBondContact OD1-NZ 3.24Å; D486-E490 PolarHBondContact O-N 2.8Å
487F95.1Very high90.6Very high5 Ų555.5 Ų55.52%0.02228%0.276CS..Hα-helixtrans-60.6-45.6173.3-177.3-112.2000111.6W456 L483 I484 K489 E490 L491 L504 M508 T529 L532 V533W456-F487 AromaticContact CH2-CD1 3.94Å; W456-F487 HydrophobicContact CH2-CD1 3.94Å; W456-F487 HydrophobicContact CH2-CE1 4.21Å; W456-F487 HydrophobicContact CZ3-CD1 4.02Å; L483-F487 WeakPolarHBondContact O-CB 3.38Å; L483-F487 PolarHBondContact O-N 3.14Å; I484-F487 PolarHBondContact O-N 3.42Å; F487-K489 PolarHBondContact O-N 3.43Å; F487-E490 WeakPolarHBondContact O-CB 3.29Å; F487-E490 PolarHBondContact O-N 3.17Å; F487-E490 VanDerWaalsContact O-N 3.13Å; F487-L491 HydrophobicContact CE1-CD1 4.22Å; F487-L491 HydrophobicContact CE1-CD2 4.05Å; F487-L491 HydrophobicContact CE1-CG 4.33Å; F487-L491 HydrophobicContact CE2-CD2 4.17Å; F487-L491 HydrophobicContact CZ-CD2 3.77Å; F487-L491 WeakPolarHBondContact O-CG 3.43Å; F487-L491 PolarHBondContact O-N 3.38Å; F487-L491 VanDerWaalsContact O-N 3.1Å; F487-L504 HydrophobicContact CZ-CD2 4.36Å; F487-M508 HydrophobicContact CD1-CE 3.66Å; F487-M508 HydrophobicContact CD1-SD 4.15Å; F487-M508 HydrophobicContact CE1-CE 3.71Å; F487-M508 HydrophobicContact CE1-CG 4.34Å; F487-M508 HydrophobicContact CE1-SD 3.54Å; F487-M508 VanDerWaalsContact CE1-SD 3.54Å; F487-M508 HydrophobicContact CZ-SD 4.42Å; F487-T529 HydrophobicContact CB-CG2 4.03Å; F487-T529 HydrophobicContact CD2-CG2 4.4Å; F487-T529 HydrophobicContact CG-CG2 4.17Å; F487-L532 HydrophobicContact CE1-CD1 4.21Å; F487-L532 HydrophobicContact CE2-CB 3.55Å; F487-L532 HydrophobicContact CE2-CD1 4.41Å; F487-L532 HydrophobicContact CZ-CB 3.61Å; F487-L532 HydrophobicContact CZ-CD1 3.88Å; F487-L532 HydrophobicContact CZ-CG 4.41Å; F487-V533 HydrophobicContact CD2-CG2 3.69Å; F487-V533 HydrophobicContact CE2-CG2 3.81Å
488R92.3Very high90.1Very high56 Ų5659.6 Ų59.621%0.21131%0.307CS..Hα-helixtrans-62.1-40.9177.1-166168.3175.8110.3-2.3112.2W456 Q457 A459 L460 I484 A485 D486 E490 L491 D492W456-R488 VanDerWaalsContact CE2-NH1 3.3Å; W456-R488 HydrophobicContact CH2-CB 3.78Å; W456-R488 HydrophobicContact CH2-CG 3.84Å; W456-R488 HydrophobicContact CZ2-CG 4.35Å; W456-R488 HydrophobicContact CZ3-CB 3.8Å; W456-R488 HydrophobicContact CZ3-CG 4.14Å; W456-R488 PolarHBondContact O-NH1 2.95Å; Q457-R488 VanDerWaalsContact O-CZ 3.3Å; Q457-R488 PolarHBondContact O-NH2 3Å; Q457-R488 VanDerWaalsContact O-NH2 3.07Å; A459-R488 HydrophobicContact CB-CB 4.49Å; L460-R488 HydrophobicContact CD2-CB 4.3Å; L460-R488 HydrophobicContact CD2-CG 4.37Å; I484-R488 PolarHBondContact O-N 3.16Å; A485-R488 PolarHBondContact O-N 3.19Å; D486-R488 PolarHBondContact O-N 2.99Å; R488-E490 VanDerWaalsContact C-N 3.31Å; R488-E490 PolarHBondContact O-N 3.03Å; R488-L491 WeakPolarHBondContact O-CB 3.47Å; R488-L491 PolarHBondContact O-N 3.38Å; R488-D492 PolarHBondContact O-N 3.27Å
489K92.5Very high89.4Confident82 Ų8256.6 Ų56.636%0.35729%0.292SS..Hα-helixtrans-61.9-36.7173.6-69.5164.7-163.5156.80112.1L460 E462 A485 D486 F487 D492 K493L460-K489 HydrophobicContact CD2-CG 3.87Å; E462-K489 IonicContact OE1-NZ 2.74Å; A485-K489 VanDerWaalsContact O-CG 3.27Å; A485-K489 WeakPolarHBondContact O-CG 3.39Å; A485-K489 PolarHBondContact O-N 3.11Å; D486-K489 PolarHBondContact O-N 3.32Å; D486-K489 IonicContact OD1-NZ 3.2Å; D486-K489 PolarHBondContact OD1-NZ 3.24Å; F487-K489 PolarHBondContact O-N 3.43Å; K489-D492 PolarHBondContact O-N 2.84Å; K489-K493 WeakPolarHBondContact O-CG 3.5Å; K489-K493 PolarHBondContact O-N 3.44Å
490E91.5Very high88.9Confident61 Ų6152.3 Ų52.329%0.28527%0.272SS..Hα-helixtrans-66.4-35.2174.6-78.5-61128.400112.7D486 F487 R488 D492 K493 R494D486-E490 PolarHBondContact O-N 2.8Å; F487-E490 WeakPolarHBondContact O-CB 3.29Å; F487-E490 PolarHBondContact O-N 3.17Å; F487-E490 VanDerWaalsContact O-N 3.13Å; R488-E490 VanDerWaalsContact C-N 3.31Å; R488-E490 PolarHBondContact O-N 3.03Å; E490-D492 PolarHBondContact O-N 3.18Å; E490-K493 PolarHBondContact O-N 2.78Å; E490-K493 WeakPolarHBondContact OE1-CD 3.49Å; E490-K493 IonicContact OE1-NZ 3.52Å; E490-K493 PolarHBondContact OE1-NZ 3.3Å; E490-R494 PolarHBondContact O-N 2.97Å; E490-R494 VanDerWaalsContact O-N 3.14Å
491L89Confident88.4Confident10 Ų1056.8 Ų56.85%0.05229%0.289CS..Hα-helixtrans-60.6-34.7174.4-57.6-169.5000112.5W456 F487 R488 R494 I496 R501 L504 V536W456-L491 HydrophobicContact CH2-CD1 3.5Å; W456-L491 VanDerWaalsContact CH2-CD1 3.5Å; W456-L491 HydrophobicContact CH2-CG 4.46Å; W456-L491 HydrophobicContact CZ2-CD1 3.55Å; F487-L491 HydrophobicContact CE1-CD1 4.22Å; F487-L491 HydrophobicContact CE1-CD2 4.05Å; F487-L491 HydrophobicContact CE1-CG 4.33Å; F487-L491 HydrophobicContact CE2-CD2 4.17Å; F487-L491 HydrophobicContact CZ-CD2 3.77Å; F487-L491 WeakPolarHBondContact O-CG 3.43Å; F487-L491 PolarHBondContact O-N 3.38Å; F487-L491 VanDerWaalsContact O-N 3.1Å; R488-L491 WeakPolarHBondContact O-CB 3.47Å; R488-L491 PolarHBondContact O-N 3.38Å; L491-R494 VanDerWaalsContact O-O 3.11Å; L491-I496 HydrophobicContact CB-CD1 3.95Å; L491-I496 HydrophobicContact CD2-CD1 3.64Å; L491-I496 HydrophobicContact CG-CD1 4.35Å; L491-R501 PolarHBondContact O-NH2 3.38Å; L491-R501 VanDerWaalsContact O-NH2 3.16Å; L491-L504 HydrophobicContact CD1-CD1 4Å; L491-L504 HydrophobicContact CD2-CD1 3.85Å; L491-V536 HydrophobicContact CD2-CG2 3.36Å
492D86.4Confident88.1Confident94 Ų9462 Ų6250%0.50331%0.313SS..Hα-helixtrans-77-24.4178.1-72.1-30.3000113.6R488 K489 E490 R501R488-D492 PolarHBondContact O-N 3.27Å; K489-D492 PolarHBondContact O-N 2.84Å; E490-D492 PolarHBondContact O-N 3.18Å; D492-R501 IonicContact OD1-CZ 3.83Å; D492-R501 IonicContact OD1-NH1 3.45Å; D492-R501 PolarHBondContact OD1-NH1 2.97Å; D492-R501 IonicContact OD1-NH2 3.93Å; D492-R501 PolarHBondContact OD1-NH2 3Å; D492-R501 VanDerWaalsContact OD1-NH2 3.13Å
493K87.5Confident87.7Confident149 Ų14960.4 Ų60.465%0.64830%0.303SS*.Hα-helixtrans-78.5-31.9174.5-66.7175.8-164.6165.80112.8K489 E490K489-K493 WeakPolarHBondContact O-CG 3.5Å; K489-K493 PolarHBondContact O-N 3.44Å; E490-K493 PolarHBondContact O-N 2.78Å; E490-K493 WeakPolarHBondContact OE1-CD 3.49Å; E490-K493 IonicContact OE1-NZ 3.52Å; E490-K493 PolarHBondContact OE1-NZ 3.3Å
494R83.6Confident87.5Confident95 Ų9559.5 Ų59.536%0.35830%0.298SS..SBendtrans-91.3141.5-178.1-66.2-157.6-176.3-157.95.1112E490 L491 I496 V533E490-R494 PolarHBondContact O-N 2.97Å; E490-R494 VanDerWaalsContact O-N 3.14Å; L491-R494 VanDerWaalsContact O-O 3.11Å; R494-I496 HydrophobicContact CB-CG1 4.23Å; R494-I496 PolarHBondContact O-N 3.49Å; R494-V533 PolarHBondContact NH1-O 3.1Å
495T74.7Confident87.2Confident147 Ų14763.4 Ų63.490%0.90232%0.319SS*.  trans-75.169.8177.7-42.70000111.4
496I80.9Confident86.9Confident15 Ų1566.2 Ų66.28%0.07733%0.332CS..  trans-81.5123174.5-54.5159.5000107.7L491 R494 R501 L504 V536L491-I496 HydrophobicContact CB-CD1 3.95Å; L491-I496 HydrophobicContact CD2-CD1 3.64Å; L491-I496 HydrophobicContact CG-CD1 4.35Å; R494-I496 HydrophobicContact CB-CG1 4.23Å; R494-I496 PolarHBondContact O-N 3.49Å; I496-R501 HydrophobicContact CB-CG 4.23Å; I496-R501 HydrophobicContact CG2-CG 4.05Å; I496-L504 HydrophobicContact CD1-CD1 4.15Å; I496-V536 HydrophobicContact CD1-CB 4.45Å; I496-V536 HydrophobicContact CD1-CG1 4.33Å; I496-V536 HydrophobicContact CD1-CG2 3.36Å; I496-V536 HydrophobicContact CG1-CG1 4.45Å; I496-V536 HydrophobicContact CG1-CG2 4.02Å
497G78.6Confident86.8Confident38 Ų3862.6 Ų62.639%0.39231%0.313SS..  trans-61.5163.9175.700000112.5R499 G500 R501G497-R499 PolarHBondContact O-N 2.78Å; G497-R499 VanDerWaalsContact O-N 3.11Å; G497-G500 PolarHBondContact O-N 3.09Å; G497-R501 PolarHBondContact O-N 3.25Å
498P81.5Confident86.8Confident121 Ų12162.4 Ų62.479%0.78631%0.312SS*.Hα-helixtrans-56.5-34.1-176.422.6-33.8000112.9Q502P498-Q502 PolarHBondContact O-N 3.13Å
499R80Confident86.8Confident76 Ų7660.1 Ų60.129%0.28730%0.304SS..Hα-helixtrans-64.5-46.1175.9-17565.5-177.9161.72.8112.5G497 R501 Q502 V503 T539 E543G497-R499 PolarHBondContact O-N 2.78Å; G497-R499 VanDerWaalsContact O-N 3.11Å; R499-R501 VanDerWaalsContact C-N 3.32Å; R499-R501 PolarHBondContact O-N 3.35Å; R499-Q502 VanDerWaalsContact NH1-OE1 3.14Å; R499-Q502 PolarHBondContact O-N 2.9Å; R499-V503 VanDerWaalsContact O-CG2 3.31Å; R499-V503 WeakPolarHBondContact O-CG2 3.44Å; R499-V503 PolarHBondContact O-N 3.46Å; R499-T539 HydrophobicContact CB-CG2 4.33Å; R499-T539 HydrophobicContact CG-CG2 3.66Å; R499-E543 IonicContact CZ-OE1 3.36Å; R499-E543 IonicContact NE-OE1 3.84Å; R499-E543 PolarHBondContact NE-OE1 3.33Å; R499-E543 IonicContact NH2-OE1 2.68Å; R499-E543 PolarHBondContact NH2-OE1 2.9Å
500G84.3Confident86.8Confident0 Ų057.7 Ų57.70%029%0.294CS..Hα-helixtrans-62.6-39.5178.800000112.2G497 V503 L504G497-G500 PolarHBondContact O-N 3.09Å; G500-V503 PolarHBondContact O-N 3.41Å; G500-L504 WeakPolarHBondContact O-CD1 3.37Å; G500-L504 WeakPolarHBondContact O-CG 3.47Å; G500-L504 PolarHBondContact O-N 2.85Å
501R86.7Confident87Confident95 Ų9554.8 Ų54.836%0.35828%0.281SS..Hα-helixtrans-63.6-46.1174.8-71.2-170174.5-113.6-0.9112.3L491 D492 I496 G497 R499 V503 L504 D505L491-R501 PolarHBondContact O-NH2 3.38Å; L491-R501 VanDerWaalsContact O-NH2 3.16Å; D492-R501 IonicContact OD1-CZ 3.83Å; D492-R501 IonicContact OD1-NH1 3.45Å; D492-R501 PolarHBondContact OD1-NH1 2.97Å; D492-R501 IonicContact OD1-NH2 3.93Å; D492-R501 PolarHBondContact OD1-NH2 3Å; D492-R501 VanDerWaalsContact OD1-NH2 3.13Å; I496-R501 HydrophobicContact CB-CG 4.23Å; I496-R501 HydrophobicContact CG2-CG 4.05Å; G497-R501 PolarHBondContact O-N 3.25Å; R499-R501 VanDerWaalsContact C-N 3.32Å; R499-R501 PolarHBondContact O-N 3.35Å; R501-V503 VanDerWaalsContact C-N 3.33Å; R501-V503 PolarHBondContact O-N 3.15Å; R501-L504 PolarHBondContact O-N 3.09Å; R501-D505 PolarHBondContact O-N 2.95Å
502Q87.5Confident87.3Confident118 Ų11854.3 Ų54.355%0.55128%0.278SS*.Hα-helixtrans-58.1-45.1177.5-174.2-173.219.900112.1P498 R499 D505 H506P498-Q502 PolarHBondContact O-N 3.13Å; R499-Q502 VanDerWaalsContact NH1-OE1 3.14Å; R499-Q502 PolarHBondContact O-N 2.9Å; Q502-D505 PolarHBondContact O-N 3.17Å; Q502-H506 PolarHBondContact O-N 3.35Å
503V88.4Confident87.7Confident7 Ų750.8 Ų50.84%0.04226%0.261CS..Hα-helixtrans-66.4-41.2179.7175.50000110.8R499 G500 R501 H506 L507 T539 L542 E543R499-V503 VanDerWaalsContact O-CG2 3.31Å; R499-V503 WeakPolarHBondContact O-CG2 3.44Å; R499-V503 PolarHBondContact O-N 3.46Å; G500-V503 PolarHBondContact O-N 3.41Å; R501-V503 VanDerWaalsContact C-N 3.33Å; R501-V503 PolarHBondContact O-N 3.15Å; V503-H506 PolarHBondContact O-N 3.35Å; V503-L507 VanDerWaalsContact O-CB 3.26Å; V503-L507 WeakPolarHBondContact O-CB 3.44Å; V503-L507 PolarHBondContact O-N 3.23Å; V503-T539 HydrophobicContact CG2-CG2 4.47Å; V503-L542 HydrophobicContact CG1-CB 3.75Å; V503-E543 HydrophobicContact CB-CG 4.36Å; V503-E543 HydrophobicContact CG1-CG 3.89Å; V503-E543 HydrophobicContact CG2-CG 3.58Å
504L91.6Very high88Confident1 Ų147.5 Ų47.51%0.00525%0.25CS..Hα-helixtrans-62-43.6175.3-75.6162.3000112.3F487 L491 I496 G500 R501 H506 L507 M508 V536 L542F487-L504 HydrophobicContact CZ-CD2 4.36Å; L491-L504 HydrophobicContact CD1-CD1 4Å; L491-L504 HydrophobicContact CD2-CD1 3.85Å; I496-L504 HydrophobicContact CD1-CD1 4.15Å; G500-L504 WeakPolarHBondContact O-CD1 3.37Å; G500-L504 WeakPolarHBondContact O-CG 3.47Å; G500-L504 PolarHBondContact O-N 2.85Å; R501-L504 PolarHBondContact O-N 3.09Å; L504-H506 PolarHBondContact O-N 2.98Å; L504-L507 PolarHBondContact O-N 2.91Å; L504-M508 VanDerWaalsContact O-CB 3.25Å; L504-M508 WeakPolarHBondContact O-CB 3.43Å; L504-M508 WeakPolarHBondContact O-CG 3.45Å; L504-M508 PolarHBondContact O-N 2.79Å; L504-V536 HydrophobicContact CD1-CG2 3.6Å; L504-L542 HydrophobicContact CD1-CD1 4.12Å; L504-L542 HydrophobicContact CD2-CD1 4.03Å; L504-L542 HydrophobicContact CD2-CD2 3.88Å; L504-L542 HydrophobicContact CG-CD1 3.86Å
505D89.5Confident88.6Confident85 Ų8543 Ų4346%0.45523%0.233SC..Hα-helixtrans-65.1-25.6-179.4-73.5-24.9000112.9W456 R501 Q502 P509W456-D505 PolarHBondContact NE1-OD1 3.05Å; R501-D505 PolarHBondContact O-N 2.95Å; Q502-D505 PolarHBondContact O-N 3.17Å; D505-P509 WeakPolarHBondContact O-CD 3.35Å
506H89.1Confident89.6Confident58 Ų5836 Ų3627%0.26919%0.19SC..Hα-helixtrans-83.9-43.5171.9-178.792.8000112.5E445 Q502 V503 L504 H510 S546E445-H506 IonicContact OE1-CE1 3.33Å; E445-H506 PolarHBondContact OE1-CE1 3.1Å; E445-H506 VanDerWaalsContact OE1-CE1 3.31Å; E445-H506 IonicContact OE1-ND1 3.88Å; E445-H506 PolarHBondContact OE1-ND1 3.06Å; Q502-H506 PolarHBondContact O-N 3.35Å; V503-H506 PolarHBondContact O-N 3.35Å; L504-H506 PolarHBondContact O-N 2.98Å; H506-H510 AromaticContact CE1-CE1 3.92Å; H506-H510 AromaticContact NE2-CE1 3.76Å; H506-H510 PolarHBondContact O-ND1 2.81Å; H506-S546 PolarHBondContact CD2-OG 2.92Å
507L92.5Very high90.2Very high1 Ų138.2 Ų38.21%0.00521%0.211CC..Hα-helixtrans-67.9-43.4-178.5171.961.7000112.8V503 L504 H510 L511 L545 L552V503-L507 VanDerWaalsContact O-CB 3.26Å; V503-L507 WeakPolarHBondContact O-CB 3.44Å; V503-L507 PolarHBondContact O-N 3.23Å; L504-L507 PolarHBondContact O-N 2.91Å; L507-H510 PolarHBondContact O-N 3.23Å; L507-L511 WeakPolarHBondContact O-CB 3.28Å; L507-L511 PolarHBondContact O-N 3.01Å; L507-L545 HydrophobicContact CD1-CB 4.03Å; L507-L545 HydrophobicContact CD2-CB 4.03Å; L507-L552 HydrophobicContact CD1-CD1 4.31Å; L507-L552 HydrophobicContact CD1-CD2 3.85Å
508M94.7Very high91Very high1 Ų140.3 Ų40.31%0.00521%0.207CC..Hα-helixtrans-61.4-44.6-169.1-74.9-59.7-62.900113.6W456 F487 L504 H510 L511 L512 L532W456-M508 HydrophobicContact CD2-CB 3.72Å; W456-M508 HydrophobicContact CD2-CG 4.14Å; W456-M508 HydrophobicContact CE3-CB 4.17Å; W456-M508 HydrophobicContact CE3-CE 4.03Å; W456-M508 HydrophobicContact CE3-CG 4.35Å; W456-M508 HydrophobicContact CG-CB 3.88Å; W456-M508 HydrophobicContact CH2-CE 4.42Å; W456-M508 HydrophobicContact CH2-CG 4.23Å; W456-M508 HydrophobicContact CZ2-CB 4.44Å; W456-M508 HydrophobicContact CZ2-CG 4.01Å; W456-M508 HydrophobicContact CZ3-CE 3.89Å; W456-M508 HydrophobicContact CZ3-CG 4.4Å; F487-M508 HydrophobicContact CD1-CE 3.66Å; F487-M508 HydrophobicContact CD1-SD 4.15Å; F487-M508 HydrophobicContact CE1-CE 3.71Å; F487-M508 HydrophobicContact CE1-CG 4.34Å; F487-M508 HydrophobicContact CE1-SD 3.54Å; F487-M508 VanDerWaalsContact CE1-SD 3.54Å; F487-M508 HydrophobicContact CZ-SD 4.42Å; L504-M508 VanDerWaalsContact O-CB 3.25Å; L504-M508 WeakPolarHBondContact O-CB 3.43Å; L504-M508 WeakPolarHBondContact O-CG 3.45Å; L504-M508 PolarHBondContact O-N 2.79Å; M508-H510 VanDerWaalsContact C-N 3.34Å; M508-H510 PolarHBondContact O-N 3.38Å; M508-L511 PolarHBondContact O-N 2.96Å; M508-L512 HydrophobicContact CE-CD1 4.28Å; M508-L512 HydrophobicContact CE-CD2 4.28Å; M508-L512 HydrophobicContact CE-CG 4.18Å; M508-L512 WeakPolarHBondContact O-CB 3.32Å; M508-L512 WeakPolarHBondContact O-CG 3.28Å; M508-L512 PolarHBondContact O-N 2.93Å; M508-L532 HydrophobicContact SD-CD1 3.88Å
509P92.8Very high91.6Very high8 Ų843.3 Ų43.35%0.05221%0.211CC..Hα-helixtrans-57.4-43.2175.1-27.536.1000113.6L448 R453 W456 D505 L512 S513L448-P509 HydrophobicContact CD2-CB 4.31Å; R453-P509 HydrophobicContact CG-CB 4.06Å; R453-P509 HydrophobicContact CG-CG 4.1Å; W456-P509 HydrophobicContact CB-CG 4.29Å; D505-P509 WeakPolarHBondContact O-CD 3.35Å; P509-L512 PolarHBondContact O-N 3.44Å; P509-S513 PolarHBondContact O-N 3.09Å; P509-S513 PolarHBondContact O-OG 3.31Å
510H91.6Very high92.4Very high32 Ų3242.4 Ų42.415%0.14821%0.212CC..Hα-helixtrans-65.9-44.1177.6-65.886000111.7L448 H506 L507 M508 S513 D514L448-H510 HydrophobicContact CD1-CB 4.25Å; L448-H510 WeakPolarHBondContact CD1-CD2 3.19Å; L448-H510 VanDerWaalsContact CD1-CG 3.48Å; L448-H510 WeakPolarHBondContact CD1-NE2 3.43Å; H506-H510 AromaticContact CE1-CE1 3.92Å; H506-H510 AromaticContact NE2-CE1 3.76Å; H506-H510 PolarHBondContact O-ND1 2.81Å; L507-H510 PolarHBondContact O-N 3.23Å; M508-H510 VanDerWaalsContact C-N 3.34Å; M508-H510 PolarHBondContact O-N 3.38Å; H510-S513 PolarHBondContact O-N 3.19Å; H510-S513 PolarHBondContact O-OG 3.17Å; H510-D514 PolarHBondContact O-N 2.82Å
511L95.3Very high93Very high0 Ų042.4 Ų42.40%021%0.212CC..Hα-helixtrans-62.8-46.5176.9-178.4155.8000111.2L507 M508 S513 D514 V515 L525 I528 L532 L552L507-L511 WeakPolarHBondContact O-CB 3.28Å; L507-L511 PolarHBondContact O-N 3.01Å; M508-L511 PolarHBondContact O-N 2.96Å; L511-S513 VanDerWaalsContact C-N 3.33Å; L511-S513 PolarHBondContact O-N 3.08Å; L511-D514 PolarHBondContact O-N 3.39Å; L511-V515 HydrophobicContact CD2-CG2 3.96Å; L511-V515 HydrophobicContact CG-CG2 4.36Å; L511-V515 WeakPolarHBondContact O-CB 3.47Å; L511-V515 VanDerWaalsContact O-CG2 3.22Å; L511-V515 WeakPolarHBondContact O-CG2 3.48Å; L511-V515 PolarHBondContact O-N 2.83Å; L511-L525 HydrophobicContact CD2-CD1 4.4Å; L511-I528 HydrophobicContact CD1-CG2 3.87Å; L511-I528 HydrophobicContact CD2-CG2 4.03Å; L511-I528 HydrophobicContact CG-CG2 4.34Å; L511-L532 HydrophobicContact CD1-CD1 3.77Å; L511-L552 HydrophobicContact CB-CD1 4.28Å; L511-L552 HydrophobicContact CB-CD2 4.35Å; L511-L552 HydrophobicContact CD1-CD1 3.93Å; L511-L552 HydrophobicContact CG-CD1 4.13Å
512L96Very high93.4Very high0 Ų038.3 Ų38.30%020%0.198CC..Hα-helixtrans-66.1-36.1-179.3-69.3175.3000111.6W452 L455 W456 I484 M508 P509 D514 V515 C516 L525W452-L512 HydrophobicContact CE3-CB 4.46Å; W452-L512 WeakPolarHBondContact CZ3-O 3.46Å; L455-L512 HydrophobicContact CD2-CB 4.48Å; L455-L512 HydrophobicContact CD2-CD1 4.4Å; W456-L512 HydrophobicContact CB-CD1 4.19Å; W456-L512 HydrophobicContact CE3-CD1 4.45Å; I484-L512 HydrophobicContact CD1-CD1 4.14Å; I484-L512 HydrophobicContact CD1-CD2 3.86Å; I484-L512 HydrophobicContact CG1-CD1 4.48Å; I484-L512 HydrophobicContact CG1-CD2 3.86Å; I484-L512 HydrophobicContact CG2-CD1 4.13Å; M508-L512 HydrophobicContact CE-CD1 4.28Å; M508-L512 HydrophobicContact CE-CD2 4.28Å; M508-L512 HydrophobicContact CE-CG 4.18Å; M508-L512 WeakPolarHBondContact O-CB 3.32Å; M508-L512 WeakPolarHBondContact O-CG 3.28Å; M508-L512 PolarHBondContact O-N 2.93Å; P509-L512 PolarHBondContact O-N 3.44Å; L512-D514 VanDerWaalsContact C-N 3.32Å; L512-D514 PolarHBondContact O-N 3.22Å; L512-V515 PolarHBondContact O-N 3.5Å; L512-C516 WeakPolarHBondContact O-CB 3.35Å; L512-C516 PolarHBondContact O-N 3.39Å; L512-C516 PolarHBondContact O-SG 3.08Å; L512-L525 HydrophobicContact CD2-CD1 3.8Å; L512-L525 HydrophobicContact CD2-CD2 4.37Å
513S94.2Very high93.9Very high19 Ų1936.4 Ų36.413%0.13319%0.194CC..Hα-helixtrans-63.1-39.1177.364.40000112.7P509 H510 L511 A517P509-S513 PolarHBondContact O-N 3.09Å; P509-S513 PolarHBondContact O-OG 3.31Å; H510-S513 PolarHBondContact O-N 3.19Å; H510-S513 PolarHBondContact O-OG 3.17Å; L511-S513 VanDerWaalsContact C-N 3.33Å; L511-S513 PolarHBondContact O-N 3.08Å; S513-A517 WeakPolarHBondContact O-CB 3.47Å
514D94.2Very high94.3Very high80 Ų8036 Ų3643%0.42819%0.192SC..Hα-helixtrans-78-38.7179.1-77.7-19.5000112.5H510 L511 L512 R518 I556H510-D514 PolarHBondContact O-N 2.82Å; L511-D514 PolarHBondContact O-N 3.39Å; L512-D514 VanDerWaalsContact C-N 3.32Å; L512-D514 PolarHBondContact O-N 3.22Å; D514-R518 WeakPolarHBondContact O-CG 3.42Å; D514-I556 HydrophobicContact CB-CD1 3.54Å
515V96.8Very high94.6Very high0 Ų036 Ų360%019%0.192CC..Hα-helixtrans-74.5-48.7-178.8174.80000111.5L511 L512 A517 R518 T524 L525 I528 I556L511-V515 HydrophobicContact CD2-CG2 3.96Å; L511-V515 HydrophobicContact CG-CG2 4.36Å; L511-V515 WeakPolarHBondContact O-CB 3.47Å; L511-V515 VanDerWaalsContact O-CG2 3.22Å; L511-V515 WeakPolarHBondContact O-CG2 3.48Å; L511-V515 PolarHBondContact O-N 2.83Å; L512-V515 PolarHBondContact O-N 3.5Å; V515-A517 VanDerWaalsContact C-N 3.3Å; V515-A517 PolarHBondContact O-N 3.28Å; V515-R518 WeakPolarHBondContact O-CB 3.2Å; V515-R518 WeakPolarHBondContact O-CG 3.47Å; V515-R518 PolarHBondContact O-N 2.84Å; V515-T524 HydrophobicContact CG1-CG2 4Å; V515-L525 HydrophobicContact CG1-CB 3.73Å; V515-L525 HydrophobicContact CG1-CD1 4Å; V515-L525 HydrophobicContact CG1-CG 4.42Å; V515-I528 HydrophobicContact CG1-CD1 4.39Å; V515-I528 HydrophobicContact CG2-CD1 3.36Å; V515-I556 HydrophobicContact CG2-CB 4.46Å; V515-I556 HydrophobicContact CG2-CD1 3.83Å; V515-I556 HydrophobicContact CG2-CG1 3.75Å; V515-I556 HydrophobicContact CG2-CG2 3.89Å
516C95.3Very high95Very high0 Ų034.5 Ų34.50%019%0.188CC..Hα-helixtrans-76-19.8-171.8-58.60000112.6W452 L469 H471 L512 R518W452-C516 HydrophobicContact CH2-CB 3.73Å; W452-C516 HydrophobicContact CZ3-CB 3.63Å; L469-C516 HydrophobicContact CD2-CB 3.65Å; H471-C516 PolarHBondContact CE1-O 3.16Å; H471-C516 PolarHBondContact NE2-O 3.49Å; L512-C516 WeakPolarHBondContact O-CB 3.35Å; L512-C516 PolarHBondContact O-N 3.39Å; L512-C516 PolarHBondContact O-SG 3.08Å; C516-R518 PolarHBondContact O-N 3.42Å
517A94Very high95.4Very high62 Ų6234.3 Ų34.351%0.51219%0.185SC..THydrogen-bonded Turntrans-71.9-7.7172.700000113.9S513 V515S513-A517 WeakPolarHBondContact O-CB 3.47Å; V515-A517 VanDerWaalsContact C-N 3.3Å; V515-A517 PolarHBondContact O-N 3.28Å
518R95.2Very high95.6Very high82 Ų8234.3 Ų34.331%0.30919%0.185SC..SBendtrans-84.6155.6179.8-56.8174.36080.67.7111.5H471 D514 V515 C516 D520 A521H471-R518 PolarHBondContact NE2-O 2.73Å; D514-R518 WeakPolarHBondContact O-CG 3.42Å; V515-R518 WeakPolarHBondContact O-CB 3.2Å; V515-R518 WeakPolarHBondContact O-CG 3.47Å; V515-R518 PolarHBondContact O-N 2.84Å; C516-R518 PolarHBondContact O-N 3.42Å; R518-D520 VanDerWaalsContact C-N 3.3Å; R518-D520 VanDerWaalsContact CB-OD1 3.32Å; R518-D520 WeakPolarHBondContact CB-OD1 3.43Å; R518-D520 IonicContact CZ-OD1 3.81Å; R518-D520 IonicContact CZ-OD2 2.68Å; R518-D520 IonicContact NE-OD1 2.87Å; R518-D520 PolarHBondContact NE-OD1 3.39Å; R518-D520 IonicContact NE-OD2 3.63Å; R518-D520 IonicContact NH2-OD1 3.13Å; R518-D520 IonicContact NH2-OD2 2.69Å; R518-D520 PolarHBondContact NH2-OD2 2.99Å; R518-A521 WeakPolarHBondContact O-CB 3.38Å; R518-A521 PolarHBondContact O-N 2.96Å
519E95Very high95.7Very high185 Ų18534.9 Ų34.986%0.86419%0.188SC*.THydrogen-bonded Turntrans-67.2-32.7171.2-65.6-177.5-179.600111.9A521E519-A521 VanDerWaalsContact C-N 3.28Å; E519-A521 PolarHBondContact O-N 3.33Å
520D95.5Very high95.8Very high57 Ų5737.5 Ų37.531%0.30521%0.211SC..THydrogen-bonded Turntrans-8919.4-179.961.727000113.9R518 A522 V523 T524R518-D520 VanDerWaalsContact C-N 3.3Å; R518-D520 VanDerWaalsContact CB-OD1 3.32Å; R518-D520 WeakPolarHBondContact CB-OD1 3.43Å; R518-D520 IonicContact CZ-OD1 3.81Å; R518-D520 IonicContact CZ-OD2 2.68Å; R518-D520 IonicContact NE-OD1 2.87Å; R518-D520 PolarHBondContact NE-OD1 3.39Å; R518-D520 IonicContact NE-OD2 3.63Å; R518-D520 IonicContact NH2-OD1 3.13Å; R518-D520 IonicContact NH2-OD2 2.69Å; R518-D520 PolarHBondContact NH2-OD2 2.99Å; D520-A522 VanDerWaalsContact C-N 3.35Å; D520-A522 PolarHBondContact O-N 3.1Å; D520-V523 PolarHBondContact O-N 3.26Å; D520-T524 WeakPolarHBondContact O-CB 3.34Å; D520-T524 PolarHBondContact O-N 2.81Å; D520-T524 PolarHBondContact O-OG1 3.39Å; D520-T524 PolarHBondContact OD1-OG1 3.07Å
521A96.8Very high96Very high0 Ų036 Ų360%020%0.204CC..Hα-helixtrans-50.6-46.6-168.300000114L472 V480 R518 E519 V523 T524 L525L472-A521 HydrophobicContact CD1-CB 4Å; L472-A521 HydrophobicContact CD2-CB 3.96Å; V480-A521 HydrophobicContact CG2-CB 4.07Å; R518-A521 WeakPolarHBondContact O-CB 3.38Å; R518-A521 PolarHBondContact O-N 2.96Å; E519-A521 VanDerWaalsContact C-N 3.28Å; E519-A521 PolarHBondContact O-N 3.33Å; A521-V523 PolarHBondContact O-N 3.02Å; A521-T524 PolarHBondContact O-N 3.25Å; A521-L525 WeakPolarHBondContact O-CB 3.29Å; A521-L525 PolarHBondContact O-N 3.14Å
522A96.6Very high96Very high8 Ų836 Ų367%0.06620%0.204CC..Hα-helixtrans-61.6-45.3-176.900000112.5D476 Q479 V480 L483 D520 S526D476-A522 HydrophobicContact CB-CB 4.27Å; Q479-A522 HydrophobicContact CB-CB 4.19Å; Q479-A522 HydrophobicContact CG-CB 4.01Å; V480-A522 HydrophobicContact CG2-CB 4.1Å; L483-A522 WeakPolarHBondContact CD1-O 3.26Å; D520-A522 VanDerWaalsContact C-N 3.35Å; D520-A522 PolarHBondContact O-N 3.1Å; A522-S526 WeakPolarHBondContact O-CB 3.34Å; A522-S526 PolarHBondContact O-N 3.34Å; A522-S526 VanDerWaalsContact O-N 3.15Å
523V96.9Very high95.9Very high78 Ų7837.6 Ų37.647%0.47321%0.213SC..Hα-helixtrans-71.3-45.6179.81770000110.6D520 A521 S526 R527D520-V523 PolarHBondContact O-N 3.26Å; A521-V523 PolarHBondContact O-N 3.02Å; V523-S526 PolarHBondContact O-N 3.08Å; V523-R527 VanDerWaalsContact CG1-CZ 3.46Å; V523-R527 WeakPolarHBondContact O-CG 3.24Å; V523-R527 PolarHBondContact O-N 3.21Å
524T97.4Very high95.6Very high0 Ų038.4 Ų38.40%023%0.225CC..Hα-helixtrans-62-45.7179.8-61.50000111.3V515 D520 A521 S526 R527 I528 I556 A560V515-T524 HydrophobicContact CG1-CG2 4Å; D520-T524 WeakPolarHBondContact O-CB 3.34Å; D520-T524 PolarHBondContact O-N 2.81Å; D520-T524 PolarHBondContact O-OG1 3.39Å; D520-T524 PolarHBondContact OD1-OG1 3.07Å; A521-T524 PolarHBondContact O-N 3.25Å; T524-S526 PolarHBondContact O-N 2.88Å; T524-R527 PolarHBondContact O-N 2.9Å; T524-I528 HydrophobicContact CG2-CD1 3.77Å; T524-I528 WeakPolarHBondContact O-CG1 3.18Å; T524-I528 PolarHBondContact O-N 3.03Å; T524-I556 HydrophobicContact CG2-CG2 4.32Å; T524-A560 HydrophobicContact CG2-CB 3.75Å; T524-A560 WeakPolarHBondContact OG1-CA 3.22Å; T524-A560 VanDerWaalsContact OG1-CB 3.31Å; T524-A560 WeakPolarHBondContact OG1-CB 3.45Å
525L97.7Very high95.5Very high0 Ų034.6 Ų34.60%020%0.204CC..Hα-helixtrans-65.9-38178.9-173.262.3000112.2V480 L483 I484 L511 L512 V515 A521 R527 I528 T529V480-L525 HydrophobicContact CB-CD2 4.44Å; V480-L525 HydrophobicContact CG1-CD2 3.89Å; V480-L525 HydrophobicContact CG2-CD2 4.5Å; L483-L525 HydrophobicContact CB-CD2 4.02Å; L483-L525 HydrophobicContact CB-CG 4.3Å; L483-L525 HydrophobicContact CD1-CB 4.27Å; L483-L525 HydrophobicContact CD1-CD2 4.44Å; L483-L525 HydrophobicContact CD1-CG 4.39Å; I484-L525 HydrophobicContact CD1-CD2 4.34Å; I484-L525 HydrophobicContact CG1-CD2 3.73Å; L511-L525 HydrophobicContact CD2-CD1 4.4Å; L512-L525 HydrophobicContact CD2-CD1 3.8Å; L512-L525 HydrophobicContact CD2-CD2 4.37Å; V515-L525 HydrophobicContact CG1-CB 3.73Å; V515-L525 HydrophobicContact CG1-CD1 4Å; V515-L525 HydrophobicContact CG1-CG 4.42Å; A521-L525 WeakPolarHBondContact O-CB 3.29Å; A521-L525 PolarHBondContact O-N 3.14Å; L525-R527 VanDerWaalsContact C-N 3.26Å; L525-R527 PolarHBondContact O-N 3.4Å; L525-I528 PolarHBondContact O-N 3.37Å; L525-T529 HydrophobicContact CD1-CG2 3.9Å; L525-T529 HydrophobicContact CG-CG2 4.09Å; L525-T529 WeakPolarHBondContact O-CB 3.48Å; L525-T529 WeakPolarHBondContact O-CG2 3.23Å; L525-T529 PolarHBondContact O-N 3.36Å; L525-T529 PolarHBondContact O-OG1 3.4Å
526S97.5Very high95.2Very high54 Ų5434.8 Ų34.838%0.37821%0.205SC..Hα-helixtrans-60.3-38.4175.9-175.50000111.8A522 V523 T524 T529 A530A522-S526 WeakPolarHBondContact O-CB 3.34Å; A522-S526 PolarHBondContact O-N 3.34Å; A522-S526 VanDerWaalsContact O-N 3.15Å; V523-S526 PolarHBondContact O-N 3.08Å; T524-S526 PolarHBondContact O-N 2.88Å; S526-T529 PolarHBondContact O-OG1 2.67Å; S526-A530 WeakPolarHBondContact O-CB 3.35Å; S526-A530 PolarHBondContact O-N 2.97Å
527R97.4Very high94.8Very high53 Ų5338.6 Ų38.620%0.223%0.229CC..Hα-helixtrans-71.3-44177.6-68.4170.3-175.1169.62.2111.7V523 T524 L525 A530 L531 C559 A560 A566V523-R527 VanDerWaalsContact CG1-CZ 3.46Å; V523-R527 WeakPolarHBondContact O-CG 3.24Å; V523-R527 PolarHBondContact O-N 3.21Å; T524-R527 PolarHBondContact O-N 2.9Å; L525-R527 VanDerWaalsContact C-N 3.26Å; L525-R527 PolarHBondContact O-N 3.4Å; R527-A530 PolarHBondContact O-N 3.39Å; R527-L531 PolarHBondContact O-N 3.03Å; R527-L531 VanDerWaalsContact O-N 3.17Å; R527-C559 WeakPolarHBondContact CD-O 3.31Å; R527-C559 PolarHBondContact NH1-O 2.99Å; R527-A560 PolarHBondContact NH1-O 3.46Å; R527-A566 HydrophobicContact CB-CB 3.86Å; R527-A566 HydrophobicContact CG-CB 4.28Å
528I97.2Very high94.5Very high1 Ų141.4 Ų41.41%0.00523%0.226CC..Hα-helixtrans-67.6-44.6-179.1-69.7170.1000111.4L511 V515 T524 L525 A530 L531 L532 I556 C559L511-I528 HydrophobicContact CD1-CG2 3.87Å; L511-I528 HydrophobicContact CD2-CG2 4.03Å; L511-I528 HydrophobicContact CG-CG2 4.34Å; V515-I528 HydrophobicContact CG1-CD1 4.39Å; V515-I528 HydrophobicContact CG2-CD1 3.36Å; T524-I528 HydrophobicContact CG2-CD1 3.77Å; T524-I528 WeakPolarHBondContact O-CG1 3.18Å; T524-I528 PolarHBondContact O-N 3.03Å; L525-I528 PolarHBondContact O-N 3.37Å; I528-A530 VanDerWaalsContact C-N 3.32Å; I528-A530 PolarHBondContact O-N 3.45Å; I528-L531 WeakPolarHBondContact O-CB 3.45Å; I528-L531 PolarHBondContact O-N 2.99Å; I528-L531 VanDerWaalsContact O-N 3.14Å; I528-L532 HydrophobicContact CG2-CD1 4.05Å; I528-L532 HydrophobicContact CG2-CG 4.17Å; I528-L532 WeakPolarHBondContact O-CG 3.19Å; I528-L532 PolarHBondContact O-N 2.9Å; I528-I556 HydrophobicContact CD1-CB 4.3Å; I528-I556 HydrophobicContact CD1-CG1 3.83Å; I528-I556 HydrophobicContact CD1-CG2 4.36Å; I528-C559 HydrophobicContact CG1-CB 3.99Å
529T96.2Very high94.1Very high13 Ų1339.2 Ų39.28%0.0822%0.222CC..Hα-helixtrans-62.5-39.7178.2500000111.6F487 L525 S526 L531 L532 V533F487-T529 HydrophobicContact CB-CG2 4.03Å; F487-T529 HydrophobicContact CD2-CG2 4.4Å; F487-T529 HydrophobicContact CG-CG2 4.17Å; L525-T529 HydrophobicContact CD1-CG2 3.9Å; L525-T529 HydrophobicContact CG-CG2 4.09Å; L525-T529 WeakPolarHBondContact O-CB 3.48Å; L525-T529 WeakPolarHBondContact O-CG2 3.23Å; L525-T529 PolarHBondContact O-N 3.36Å; L525-T529 PolarHBondContact O-OG1 3.4Å; S526-T529 PolarHBondContact O-OG1 2.67Å; T529-L531 VanDerWaalsContact C-N 3.32Å; T529-L531 PolarHBondContact O-N 3.03Å; T529-L532 PolarHBondContact O-N 3.36Å; T529-V533 VanDerWaalsContact O-CG2 3.28Å; T529-V533 WeakPolarHBondContact O-CG2 3.34Å; T529-V533 PolarHBondContact O-N 2.86Å
530A95Very high93.7Very high63 Ų6333 Ų3352%0.52120%0.197SC..Hα-helixtrans-59.7-40.7173.300000112.5S526 R527 I528 G534S526-A530 WeakPolarHBondContact O-CB 3.35Å; S526-A530 PolarHBondContact O-N 2.97Å; R527-A530 PolarHBondContact O-N 3.39Å; I528-A530 VanDerWaalsContact C-N 3.32Å; I528-A530 PolarHBondContact O-N 3.45Å; A530-G534 PolarHBondContact O-N 3.46Å
531L95.7Very high93.4Very high0 Ų032.5 Ų32.50%019%0.191CC..Hα-helixtrans-63.8-49.7173.1-179.4159.3000111.7R527 I528 T529 V533 G534 I535 L555 L569 A570R527-L531 PolarHBondContact O-N 3.03Å; R527-L531 VanDerWaalsContact O-N 3.17Å; I528-L531 WeakPolarHBondContact O-CB 3.45Å; I528-L531 PolarHBondContact O-N 2.99Å; I528-L531 VanDerWaalsContact O-N 3.14Å; T529-L531 VanDerWaalsContact C-N 3.32Å; T529-L531 PolarHBondContact O-N 3.03Å; L531-V533 VanDerWaalsContact C-N 3.32Å; L531-V533 PolarHBondContact O-N 3.04Å; L531-G534 WeakPolarHBondContact O-CA 3.42Å; L531-G534 PolarHBondContact O-N 2.88Å; L531-I535 HydrophobicContact CD2-CD1 3.82Å; L531-I535 HydrophobicContact CD2-CG1 4.3Å; L531-I535 PolarHBondContact O-N 2.98Å; L531-L555 HydrophobicContact CD1-CD1 3.73Å; L531-L569 HydrophobicContact CD1-CB 3.5Å; L531-L569 HydrophobicContact CD1-CD1 4.46Å; L531-A570 HydrophobicContact CB-CB 3.97Å; L531-A570 HydrophobicContact CG-CB 4.19Å
532L95.3Very high93.2Very high0 Ų032.5 Ų32.50%019%0.191CC..Hα-helixtrans-59.7-41-179.3-68.9179.4000111.7F487 M508 L511 I528 T529 G534 I535 V536 L542 L545F487-L532 HydrophobicContact CE1-CD1 4.21Å; F487-L532 HydrophobicContact CE2-CB 3.55Å; F487-L532 HydrophobicContact CE2-CD1 4.41Å; F487-L532 HydrophobicContact CZ-CB 3.61Å; F487-L532 HydrophobicContact CZ-CD1 3.88Å; F487-L532 HydrophobicContact CZ-CG 4.41Å; M508-L532 HydrophobicContact SD-CD1 3.88Å; L511-L532 HydrophobicContact CD1-CD1 3.77Å; I528-L532 HydrophobicContact CG2-CD1 4.05Å; I528-L532 HydrophobicContact CG2-CG 4.17Å; I528-L532 WeakPolarHBondContact O-CG 3.19Å; I528-L532 PolarHBondContact O-N 2.9Å; T529-L532 PolarHBondContact O-N 3.36Å; L532-G534 PolarHBondContact O-N 3.12Å; L532-I535 HydrophobicContact CD2-CD1 4.12Å; L532-I535 HydrophobicContact CD2-CG1 4.45Å; L532-I535 CarbonylContact O-C 3.54Å; L532-I535 WeakPolarHBondContact O-CG1 3.5Å; L532-I535 PolarHBondContact O-N 2.94Å; L532-V536 WeakPolarHBondContact O-CA 3.35Å; L532-V536 WeakPolarHBondContact O-CB 3.48Å; L532-V536 PolarHBondContact O-N 3.31Å; L532-L542 HydrophobicContact CD2-CD2 4.34Å; L532-L545 HydrophobicContact CD2-CD1 4.2Å
533V93.7Very high92.8Very high34 Ų3432.2 Ų32.221%0.20619%0.188CC..Hα-helixtrans-57.9-34.2174.8169.80000111.8F487 R494 T529 L531F487-V533 HydrophobicContact CD2-CG2 3.69Å; F487-V533 HydrophobicContact CE2-CG2 3.81Å; R494-V533 PolarHBondContact NH1-O 3.1Å; T529-V533 VanDerWaalsContact O-CG2 3.28Å; T529-V533 WeakPolarHBondContact O-CG2 3.34Å; T529-V533 PolarHBondContact O-N 2.86Å; L531-V533 VanDerWaalsContact C-N 3.32Å; L531-V533 PolarHBondContact O-N 3.04Å
534G88.8Confident92.4Very high36 Ų3629.6 Ų29.637%0.37117%0.172SC..Hα-helixtrans-69-29.5176.100000114.1A530 L531 L532A530-G534 PolarHBondContact O-N 3.46Å; L531-G534 WeakPolarHBondContact O-CA 3.42Å; L531-G534 PolarHBondContact O-N 2.88Å; L532-G534 PolarHBondContact O-N 3.12Å
535I91.5Very high92.1Very high0 Ų029.6 Ų29.60%017%0.172CC..Hα-helixtrans-111.6-3.2-17564.4169.4000114.7L531 L532 T537 R538 Y541 L542 L545 P573 L576L531-I535 HydrophobicContact CD2-CD1 3.82Å; L531-I535 HydrophobicContact CD2-CG1 4.3Å; L531-I535 PolarHBondContact O-N 2.98Å; L532-I535 HydrophobicContact CD2-CD1 4.12Å; L532-I535 HydrophobicContact CD2-CG1 4.45Å; L532-I535 CarbonylContact O-C 3.54Å; L532-I535 WeakPolarHBondContact O-CG1 3.5Å; L532-I535 PolarHBondContact O-N 2.94Å; I535-T537 PolarHBondContact O-N 3.49Å; I535-R538 WeakPolarHBondContact O-CA 3.33Å; I535-R538 WeakPolarHBondContact O-CB 3.43Å; I535-R538 PolarHBondContact O-N 2.72Å; I535-Y541 HydrophobicContact CB-CD2 4.18Å; I535-Y541 HydrophobicContact CG2-CD2 3.98Å; I535-L542 HydrophobicContact CD1-CD2 4.1Å; I535-L542 HydrophobicContact CG1-CD2 4.15Å; I535-L545 HydrophobicContact CD1-CD1 4.22Å; I535-P573 HydrophobicContact CG2-CB 3.23Å; I535-P573 HydrophobicContact CG2-CG 3.83Å; I535-L576 HydrophobicContact CD1-CD1 3.97Å
536V91.6Very high91.7Very high4 Ų430.6 Ų30.62%0.02418%0.179CC..THydrogen-bonded Turntrans-59.1-26-171.2760000114.3L491 I496 L504 L532 R538L491-V536 HydrophobicContact CD2-CG2 3.36Å; I496-V536 HydrophobicContact CD1-CB 4.45Å; I496-V536 HydrophobicContact CD1-CG1 4.33Å; I496-V536 HydrophobicContact CD1-CG2 3.36Å; I496-V536 HydrophobicContact CG1-CG1 4.45Å; I496-V536 HydrophobicContact CG1-CG2 4.02Å; L504-V536 HydrophobicContact CD1-CG2 3.6Å; L532-V536 WeakPolarHBondContact O-CA 3.35Å; L532-V536 WeakPolarHBondContact O-CB 3.48Å; L532-V536 PolarHBondContact O-N 3.31Å; V536-R538 VanDerWaalsContact C-N 3.31Å
537T86.2Confident91.1Very high80 Ų8031.5 Ų31.549%0.49118%0.177SC..THydrogen-bonded Turntrans-85.2-3.8176.258.70000113.2I535I535-T537 PolarHBondContact O-N 3.49Å
538R87.4Confident90.5Very high121 Ų12133.6 Ų33.646%0.45719%0.187SC..  trans-111.580.7-178.6-56.8-176.1-173.6-163.24.8109.3I535 V536 T540 Y541I535-R538 WeakPolarHBondContact O-CA 3.33Å; I535-R538 WeakPolarHBondContact O-CB 3.43Å; I535-R538 PolarHBondContact O-N 2.72Å; V536-R538 VanDerWaalsContact C-N 3.31Å; R538-T540 PolarHBondContact O-N 3.32Å; R538-Y541 HydrophobicContact CB-CD2 3.83Å; R538-Y541 HydrophobicContact CB-CE2 4.38Å; R538-Y541 HydrophobicContact CB-CG 4.47Å; R538-Y541 VanDerWaalsContact CD-CE2 3.46Å; R538-Y541 HydrophobicContact CG-CD2 4.41Å; R538-Y541 PolarHBondContact O-N 3.21Å
539T87.2Confident90.1Very high37 Ų3736.4 Ų36.423%0.22721%0.206CC..Hα-helixtrans-49.1-36.1-176.2-52.40000113.7R499 V503 Y541 L542 E543R499-T539 HydrophobicContact CB-CG2 4.33Å; R499-T539 HydrophobicContact CG-CG2 3.66Å; V503-T539 HydrophobicContact CG2-CG2 4.47Å; T539-Y541 VanDerWaalsContact C-N 3.32Å; T539-Y541 PolarHBondContact O-N 2.82Å; T539-L542 WeakPolarHBondContact O-CB 3.31Å; T539-L542 PolarHBondContact O-N 2.85Å; T539-L542 VanDerWaalsContact O-N 3.13Å; T539-E543 HydrophobicContact CG2-CG 4.27Å; T539-E543 WeakPolarHBondContact O-CG 3.47Å; T539-E543 PolarHBondContact O-N 2.9Å
540T86.6Confident89.8Confident53 Ų5338.2 Ų38.233%0.32522%0.222SC..Hα-helixtrans-61.1-36.2-17953.20000113.5D289 R538 L544D289-T540 HydrophobicContact CB-CG2 4.46Å; D289-T540 WeakPolarHBondContact OD2-CG2 3.37Å; R538-T540 PolarHBondContact O-N 3.32Å; T540-L544 PolarHBondContact O-N 3.41Å
541Y90Very high89.6Confident48 Ų4835.2 Ų35.219%0.18820%0.197CC..Hα-helixtrans-75.1-32.8175.9-65.6-28.9000112.4I535 R538 T539 L544 L545 P573 L574 L576I535-Y541 HydrophobicContact CB-CD2 4.18Å; I535-Y541 HydrophobicContact CG2-CD2 3.98Å; R538-Y541 HydrophobicContact CB-CD2 3.83Å; R538-Y541 HydrophobicContact CB-CE2 4.38Å; R538-Y541 HydrophobicContact CB-CG 4.47Å; R538-Y541 VanDerWaalsContact CD-CE2 3.46Å; R538-Y541 HydrophobicContact CG-CD2 4.41Å; R538-Y541 PolarHBondContact O-N 3.21Å; T539-Y541 VanDerWaalsContact C-N 3.32Å; T539-Y541 PolarHBondContact O-N 2.82Å; Y541-L544 PolarHBondContact O-N 3.14Å; Y541-L545 WeakPolarHBondContact O-CG 3.38Å; Y541-L545 PolarHBondContact O-N 3.26Å; Y541-P573 HydrophobicContact CD2-CB 3.73Å; Y541-P573 HydrophobicContact CD2-CG 4.15Å; Y541-P573 HydrophobicContact CE2-CB 3.52Å; Y541-P573 HydrophobicContact CE2-CG 3.56Å; Y541-L574 WeakPolarHBondContact OH-CA 3.48Å; Y541-L574 PolarHBondContact OH-N 2.96Å; Y541-L576 HydrophobicContact CD1-CD1 4.49Å; Y541-L576 HydrophobicContact CG-CD1 4.13Å
542L91.3Very high89.5Confident0 Ų035.6 Ų35.60%020%0.199CC..Hα-helixtrans-67.5-41.5174.2-58.7173.9000110.8V503 L504 L532 I535 T539 L545 S546V503-L542 HydrophobicContact CG1-CB 3.75Å; L504-L542 HydrophobicContact CD1-CD1 4.12Å; L504-L542 HydrophobicContact CD2-CD1 4.03Å; L504-L542 HydrophobicContact CD2-CD2 3.88Å; L504-L542 HydrophobicContact CG-CD1 3.86Å; L532-L542 HydrophobicContact CD2-CD2 4.34Å; I535-L542 HydrophobicContact CD1-CD2 4.1Å; I535-L542 HydrophobicContact CG1-CD2 4.15Å; T539-L542 WeakPolarHBondContact O-CB 3.31Å; T539-L542 PolarHBondContact O-N 2.85Å; T539-L542 VanDerWaalsContact O-N 3.13Å; L542-L545 PolarHBondContact O-N 3.45Å; L542-S546 WeakPolarHBondContact O-CB 3.37Å; L542-S546 PolarHBondContact O-N 3.45Å
543E88.5Confident89.5Confident2 Ų242.3 Ų42.31%0.00923%0.228CC..Hα-helixtrans-64.6-40.7175.6-74.2173.9150.400111.7F290 S291 R499 V503 T539 L545 S546 E547F290-E543 HydrophobicContact CD1-CB 4.07Å; F290-E543 HydrophobicContact CD1-CG 4.45Å; S291-E543 VanDerWaalsContact CA-OE2 3.29Å; S291-E543 WeakPolarHBondContact CA-OE2 3.47Å; S291-E543 WeakPolarHBondContact CB-OE2 3.48Å; S291-E543 PolarHBondContact N-OE2 3.09Å; R499-E543 IonicContact CZ-OE1 3.36Å; R499-E543 IonicContact NE-OE1 3.84Å; R499-E543 PolarHBondContact NE-OE1 3.33Å; R499-E543 IonicContact NH2-OE1 2.68Å; R499-E543 PolarHBondContact NH2-OE1 2.9Å; V503-E543 HydrophobicContact CB-CG 4.36Å; V503-E543 HydrophobicContact CG1-CG 3.89Å; V503-E543 HydrophobicContact CG2-CG 3.58Å; T539-E543 HydrophobicContact CG2-CG 4.27Å; T539-E543 WeakPolarHBondContact O-CG 3.47Å; T539-E543 PolarHBondContact O-N 2.9Å; E543-L545 VanDerWaalsContact C-N 3.29Å; E543-L545 PolarHBondContact O-N 3.27Å; E543-S546 WeakPolarHBondContact O-CB 3.39Å; E543-S546 PolarHBondContact O-N 2.99Å; E543-S546 VanDerWaalsContact O-N 3.13Å; E543-E547 WeakPolarHBondContact O-CB 3.34Å; E543-E547 VanDerWaalsContact O-CG 3.23Å; E543-E547 WeakPolarHBondContact O-CG 3.34Å; E543-E547 PolarHBondContact O-N 3.43Å
544L88.6Confident89.6Confident23 Ų2342.2 Ų42.212%0.1223%0.226CC..Hα-helixtrans-55.2-45.2174.1-175.6155000111.5T540 Y541 F548 A551 L576 L580T540-L544 PolarHBondContact O-N 3.41Å; Y541-L544 PolarHBondContact O-N 3.14Å; L544-F548 HydrophobicContact CG-CD2 4.37Å; L544-F548 WeakPolarHBondContact O-CD2 3.3Å; L544-F548 PolarHBondContact O-N 3.04Å; L544-A551 HydrophobicContact CD2-CB 4.26Å; L544-L576 HydrophobicContact CD2-CB 4.25Å; L544-L580 HydrophobicContact CD1-CD1 4.17Å; L544-L580 HydrophobicContact CD1-CD2 4.43Å; L544-L580 HydrophobicContact CD1-CG 4.46Å; L544-L580 HydrophobicContact CD2-CD2 3.99Å; L544-L580 HydrophobicContact CG-CD2 4.06Å
545L91.8Very high89.9Confident0 Ų040.5 Ų40.50%021%0.208CC..Hα-helixtrans-70.5-32.8178.2-64.9177000113.1L507 L532 I535 Y541 L542 E543 L555 L576L507-L545 HydrophobicContact CD1-CB 4.03Å; L507-L545 HydrophobicContact CD2-CB 4.03Å; L532-L545 HydrophobicContact CD2-CD1 4.2Å; I535-L545 HydrophobicContact CD1-CD1 4.22Å; Y541-L545 WeakPolarHBondContact O-CG 3.38Å; Y541-L545 PolarHBondContact O-N 3.26Å; L542-L545 PolarHBondContact O-N 3.45Å; E543-L545 VanDerWaalsContact C-N 3.29Å; E543-L545 PolarHBondContact O-N 3.27Å; L545-L555 HydrophobicContact CD1-CD2 3.77Å; L545-L555 HydrophobicContact CD2-CD2 3.76Å; L545-L555 HydrophobicContact CG-CD2 4.43Å; L545-L576 HydrophobicContact CD2-CD2 4.48Å
546S89.5Confident90.2Very high21 Ų2140.8 Ų40.815%0.14721%0.209CC..Hα-helixtrans-68.6-40.4177.9-1700000112.3H506 L542 E543H506-S546 PolarHBondContact CD2-OG 2.92Å; L542-S546 WeakPolarHBondContact O-CB 3.37Å; L542-S546 PolarHBondContact O-N 3.45Å; E543-S546 WeakPolarHBondContact O-CB 3.39Å; E543-S546 PolarHBondContact O-N 2.99Å; E543-S546 VanDerWaalsContact O-N 3.13Å
547E83Confident90.4Very high72 Ų7243 Ų4334%0.33623%0.226SC..Hα-helixtrans-90.5-22.1-170.3-66.8-67.8144.900113.9F290 E543 P549F290-E547 HydrophobicContact CD1-CG 3.44Å; F290-E547 VanDerWaalsContact CD1-CG 3.44Å; F290-E547 HydrophobicContact CD2-CB 4.13Å; F290-E547 HydrophobicContact CD2-CG 3.63Å; F290-E547 HydrophobicContact CE1-CG 3.32Å; F290-E547 WeakPolarHBondContact CE1-OE1 3.31Å; F290-E547 HydrophobicContact CE2-CB 4.23Å; F290-E547 HydrophobicContact CE2-CG 3.54Å; F290-E547 WeakPolarHBondContact CE2-OE2 3.44Å; F290-E547 HydrophobicContact CG-CB 4.33Å; F290-E547 HydrophobicContact CG-CG 3.58Å; F290-E547 HydrophobicContact CZ-CG 3.41Å; F290-E547 VanDerWaalsContact CZ-CG 3.41Å; F290-E547 WeakPolarHBondContact CZ-OE1 3.33Å; F290-E547 WeakPolarHBondContact CZ-OE2 3.48Å; E543-E547 WeakPolarHBondContact O-CB 3.34Å; E543-E547 VanDerWaalsContact O-CG 3.23Å; E543-E547 WeakPolarHBondContact O-CG 3.34Å; E543-E547 PolarHBondContact O-N 3.43Å; E547-P549 VanDerWaalsContact C-CD 3.43Å; E547-P549 WeakPolarHBondContact O-CD 3.36Å
548F86.5Confident90.9Very high97 Ų9739.2 Ų39.243%0.42520%0.202SC..  trans-115.583.4178.7-61.8-77.4000109.9L544 A550 A551 L552 L580L544-F548 HydrophobicContact CG-CD2 4.37Å; L544-F548 WeakPolarHBondContact O-CD2 3.3Å; L544-F548 PolarHBondContact O-N 3.04Å; F548-A550 PolarHBondContact O-N 3.48Å; F548-A551 HydrophobicContact CB-CB 3.9Å; F548-A551 WeakPolarHBondContact O-CA 3.28Å; F548-A551 WeakPolarHBondContact O-CB 3.37Å; F548-A551 PolarHBondContact O-N 3.29Å; F548-L552 PolarHBondContact O-N 2.77Å; F548-L552 VanDerWaalsContact O-N 3.1Å; F548-L580 HydrophobicContact CB-CD2 3.78Å; F548-L580 HydrophobicContact CD1-CD2 4.07Å; F548-L580 HydrophobicContact CD2-CD2 3.44Å; F548-L580 VanDerWaalsContact CD2-CD2 3.44Å; F548-L580 HydrophobicContact CE2-CD2 4Å; F548-L580 HydrophobicContact CG-CD2 3.48Å; F548-L580 VanDerWaalsContact CG-CD2 3.48Å
549P88.2Confident91.4Very high60 Ų6033.5 Ų33.539%0.3918%0.181SC..Hα-helixtrans-52.8-30.1175-28.233.9000113.3E547 L552 K553E547-P549 VanDerWaalsContact C-CD 3.43Å; E547-P549 WeakPolarHBondContact O-CD 3.36Å; P549-L552 PolarHBondContact O-N 3.15Å; P549-K553 VanDerWaalsContact O-CB 3.31Å; P549-K553 WeakPolarHBondContact O-CB 3.19Å; P549-K553 PolarHBondContact O-N 2.77Å
550A88.5Confident91.8Very high52 Ų5232.3 Ų32.343%0.4317%0.174SC..Hα-helixtrans-61.6-46.9172.900000112.2F548 K553 H554F548-A550 PolarHBondContact O-N 3.48Å; A550-K553 WeakPolarHBondContact O-CB 3.24Å; A550-K553 PolarHBondContact O-N 3.44Å; A550-H554 PolarHBondContact O-CD2 2.99Å; A550-H554 PolarHBondContact O-N 2.9Å
551A91.4Very high92.3Very high0 Ų031.4 Ų31.40%017%0.172CC..Hα-helixtrans-65.2-40.9177.500000111.7L544 F548 K553 H554 L555 L579 L580L544-A551 HydrophobicContact CD2-CB 4.26Å; F548-A551 HydrophobicContact CB-CB 3.9Å; F548-A551 WeakPolarHBondContact O-CA 3.28Å; F548-A551 WeakPolarHBondContact O-CB 3.37Å; F548-A551 PolarHBondContact O-N 3.29Å; A551-K553 PolarHBondContact O-N 2.87Å; A551-H554 PolarHBondContact O-N 3.2Å; A551-L555 WeakPolarHBondContact O-CB 3.35Å; A551-L555 PolarHBondContact O-N 3.03Å; A551-L579 WeakPolarHBondContact CA-O 3.4Å; A551-L579 HydrophobicContact CB-CB 3.96Å; A551-L580 HydrophobicContact CB-CD2 4.02Å
552L94.7Very high92.6Very high7 Ų729.1 Ų29.14%0.03716%0.163CC..Hα-helixtrans-60-44.8173.2179.359.7000111.7L507 L511 F548 P549 H554 L555 I556L507-L552 HydrophobicContact CD1-CD1 4.31Å; L507-L552 HydrophobicContact CD1-CD2 3.85Å; L511-L552 HydrophobicContact CB-CD1 4.28Å; L511-L552 HydrophobicContact CB-CD2 4.35Å; L511-L552 HydrophobicContact CD1-CD1 3.93Å; L511-L552 HydrophobicContact CG-CD1 4.13Å; F548-L552 PolarHBondContact O-N 2.77Å; F548-L552 VanDerWaalsContact O-N 3.1Å; P549-L552 PolarHBondContact O-N 3.15Å; L552-H554 PolarHBondContact O-N 3.02Å; L552-L555 HydrophobicContact CD1-CD2 4.42Å; L552-L555 WeakPolarHBondContact O-CB 3.32Å; L552-L555 PolarHBondContact O-N 2.9Å; L552-I556 HydrophobicContact CD1-CD1 3.99Å; L552-I556 HydrophobicContact CD1-CG1 4.27Å; L552-I556 HydrophobicContact CG-CD1 3.93Å; L552-I556 VanDerWaalsContact O-CG1 3.25Å; L552-I556 WeakPolarHBondContact O-CG1 3.47Å; L552-I556 PolarHBondContact O-N 2.68Å
553K94.3Very high92.9Very high141 Ų14129.8 Ų29.861%0.61317%0.168SC*.Hα-helixtrans-60.8-43.6176-178-178.1177.9-178.10112.2P549 A550 A551 I556 S557P549-K553 VanDerWaalsContact O-CB 3.31Å; P549-K553 WeakPolarHBondContact O-CB 3.19Å; P549-K553 PolarHBondContact O-N 2.77Å; A550-K553 WeakPolarHBondContact O-CB 3.24Å; A550-K553 PolarHBondContact O-N 3.44Å; A551-K553 PolarHBondContact O-N 2.87Å; K553-I556 PolarHBondContact O-N 3.13Å; K553-S557 WeakPolarHBondContact O-CB 3.48Å; K553-S557 PolarHBondContact O-N 2.87Å
554H95.1Very high93.3Very high32 Ų3231.1 Ų31.115%0.14817%0.174CC..Hα-helixtrans-66.7-41176.6-70.1-54.6000112A550 A551 L552 I556 S557 L558 P582 L585 Y586A550-H554 PolarHBondContact O-CD2 2.99Å; A550-H554 PolarHBondContact O-N 2.9Å; A551-H554 PolarHBondContact O-N 3.2Å; L552-H554 PolarHBondContact O-N 3.02Å; H554-I556 PolarHBondContact O-N 3.34Å; H554-S557 PolarHBondContact O-N 2.59Å; H554-L558 WeakPolarHBondContact O-CB 3.41Å; H554-L558 VanDerWaalsContact O-CG 3.31Å; H554-L558 WeakPolarHBondContact O-CG 3.23Å; H554-L558 PolarHBondContact O-N 3.1Å; H554-P582 VanDerWaalsContact NE2-CG 3.32Å; H554-P582 WeakPolarHBondContact NE2-CG 3.47Å; H554-L585 HydrophobicContact CB-CD2 4.08Å; H554-Y586 AromaticContact CE1-CE2 3.56Å; H554-Y586 AromaticContact ND1-CE2 3.42Å; H554-Y586 WeakPolarHBondContact ND1-CE2 3.4Å; H554-Y586 AromaticContact ND1-CZ 3.6Å; H554-Y586 PolarHBondContact ND1-OH 2.9Å
555L96.7Very high93.7Very high0 Ų030 Ų300%017%0.169CC..Hα-helixtrans-54.5-51.8173.1178.867.2000111L531 L545 A551 L552 C559 L569 L576 L579L531-L555 HydrophobicContact CD1-CD1 3.73Å; L545-L555 HydrophobicContact CD1-CD2 3.77Å; L545-L555 HydrophobicContact CD2-CD2 3.76Å; L545-L555 HydrophobicContact CG-CD2 4.43Å; A551-L555 WeakPolarHBondContact O-CB 3.35Å; A551-L555 PolarHBondContact O-N 3.03Å; L552-L555 HydrophobicContact CD1-CD2 4.42Å; L552-L555 WeakPolarHBondContact O-CB 3.32Å; L552-L555 PolarHBondContact O-N 2.9Å; L555-C559 VanDerWaalsContact O-CB 3.29Å; L555-C559 WeakPolarHBondContact O-CB 3.4Å; L555-C559 PolarHBondContact O-N 3.36Å; L555-C559 PolarHBondContact O-SG 3.25Å; L555-L569 HydrophobicContact CD1-CD1 3.57Å; L555-L576 HydrophobicContact CD1-CD2 4.02Å; L555-L579 HydrophobicContact CB-CD1 3.81Å; L555-L579 HydrophobicContact CD1-CD1 3.92Å; L555-L579 HydrophobicContact CG-CD1 4.47Å
556I97Very high94Very high6 Ų630.2 Ų30.23%0.03117%0.171CC..Hα-helixtrans-62-49-179-66.4165.3000110.4D514 V515 T524 I528 L552 K553 H554 L558 C559 A560D514-I556 HydrophobicContact CB-CD1 3.54Å; V515-I556 HydrophobicContact CG2-CB 4.46Å; V515-I556 HydrophobicContact CG2-CD1 3.83Å; V515-I556 HydrophobicContact CG2-CG1 3.75Å; V515-I556 HydrophobicContact CG2-CG2 3.89Å; T524-I556 HydrophobicContact CG2-CG2 4.32Å; I528-I556 HydrophobicContact CD1-CB 4.3Å; I528-I556 HydrophobicContact CD1-CG1 3.83Å; I528-I556 HydrophobicContact CD1-CG2 4.36Å; L552-I556 HydrophobicContact CD1-CD1 3.99Å; L552-I556 HydrophobicContact CD1-CG1 4.27Å; L552-I556 HydrophobicContact CG-CD1 3.93Å; L552-I556 VanDerWaalsContact O-CG1 3.25Å; L552-I556 WeakPolarHBondContact O-CG1 3.47Å; L552-I556 PolarHBondContact O-N 2.68Å; K553-I556 PolarHBondContact O-N 3.13Å; H554-I556 PolarHBondContact O-N 3.34Å; I556-L558 PolarHBondContact O-N 3.23Å; I556-C559 PolarHBondContact O-N 2.6Å; I556-A560 VanDerWaalsContact O-CB 3.27Å; I556-A560 WeakPolarHBondContact O-CB 3.48Å; I556-A560 PolarHBondContact O-N 2.89Å
557S96.1Very high94.3Very high52 Ų5231.1 Ų31.136%0.36418%0.177SC..Hα-helixtrans-59.7-46.8-179-171.50000112.3K553 H554 A560 A561K553-S557 WeakPolarHBondContact O-CB 3.48Å; K553-S557 PolarHBondContact O-N 2.87Å; H554-S557 PolarHBondContact O-N 2.59Å; S557-A560 PolarHBondContact O-N 3.14Å; S557-A561 WeakPolarHBondContact O-CB 3.49Å; S557-A561 PolarHBondContact O-N 2.72Å; S557-A561 VanDerWaalsContact O-N 3.08Å
558L96.9Very high94.9Very high0 Ų028.5 Ų28.50%017%0.165CC..Hα-helixtrans-69.2-41.8179.9-69.6176.9000112.3H554 I556 A560 A561 S562 I565 L579 L585 Y586 A630 I633H554-L558 WeakPolarHBondContact O-CB 3.41Å; H554-L558 VanDerWaalsContact O-CG 3.31Å; H554-L558 WeakPolarHBondContact O-CG 3.23Å; H554-L558 PolarHBondContact O-N 3.1Å; I556-L558 PolarHBondContact O-N 3.23Å; L558-A560 VanDerWaalsContact C-N 3.33Å; L558-A560 PolarHBondContact O-N 3.44Å; L558-A561 PolarHBondContact O-N 3.1Å; L558-S562 PolarHBondContact O-N 3.4Å; L558-I565 HydrophobicContact CB-CD1 4.5Å; L558-I565 HydrophobicContact CB-CG2 3.95Å; L558-I565 HydrophobicContact CD1-CG2 4.42Å; L558-I565 HydrophobicContact CD2-CD1 4.07Å; L558-L579 HydrophobicContact CD1-CD2 3.9Å; L558-L585 HydrophobicContact CD1-CD1 4.31Å; L558-L585 HydrophobicContact CD1-CD2 4.11Å; L558-Y586 HydrophobicContact CD2-CE1 4.1Å; L558-A630 HydrophobicContact CD1-CB 4.18Å; L558-A630 HydrophobicContact CD2-CB 3.84Å; L558-I633 HydrophobicContact CD2-CG2 4.22Å
559C97.2Very high95.4Very high0 Ų023.9 Ų23.90%014%0.144CC..Hα-helixtrans-67.6-33.6177.6-68.50000112.4R527 I528 L555 I556 A566R527-C559 WeakPolarHBondContact CD-O 3.31Å; R527-C559 PolarHBondContact NH1-O 2.99Å; I528-C559 HydrophobicContact CG1-CB 3.99Å; L555-C559 VanDerWaalsContact O-CB 3.29Å; L555-C559 WeakPolarHBondContact O-CB 3.4Å; L555-C559 PolarHBondContact O-N 3.36Å; L555-C559 PolarHBondContact O-SG 3.25Å; I556-C559 PolarHBondContact O-N 2.6Å; C559-A566 HydrophobicContact CB-CB 4.06Å
560A97Very high95.7Very high12 Ų1222.5 Ų22.510%0.09914%0.138CC..Hα-helixtrans-64-45.3172.600000110.9T524 R527 I556 S557 L558T524-A560 HydrophobicContact CG2-CB 3.75Å; T524-A560 WeakPolarHBondContact OG1-CA 3.22Å; T524-A560 VanDerWaalsContact OG1-CB 3.31Å; T524-A560 WeakPolarHBondContact OG1-CB 3.45Å; R527-A560 PolarHBondContact NH1-O 3.46Å; I556-A560 VanDerWaalsContact O-CB 3.27Å; I556-A560 WeakPolarHBondContact O-CB 3.48Å; I556-A560 PolarHBondContact O-N 2.89Å; S557-A560 PolarHBondContact O-N 3.14Å; L558-A560 VanDerWaalsContact C-N 3.33Å; L558-A560 PolarHBondContact O-N 3.44Å
561A96Very high95.9Very high34 Ų3428 Ų2828%0.28115%0.147SC..Hα-helixtrans-77.7-29.7-175.800000114.5S557 L558 I633 Q917S557-A561 WeakPolarHBondContact O-CB 3.49Å; S557-A561 PolarHBondContact O-N 2.72Å; S557-A561 VanDerWaalsContact O-N 3.08Å; L558-A561 PolarHBondContact O-N 3.1Å; A561-I633 HydrophobicContact CB-CD1 4.18Å; A561-I633 HydrophobicContact CB-CG2 3.5Å; A561-I633 VanDerWaalsContact CB-CG2 3.5Å; A561-Q917 PolarHBondContact O-NE2 3.3Å
562S96.9Very high95.9Very high0 Ų029.2 Ų29.20%015%0.152CC..  trans-144115.4-175174.60000113.1L558 M564 I565 A566 L916L558-S562 PolarHBondContact O-N 3.4Å; S562-M564 VanDerWaalsContact C-N 3.26Å; S562-M564 PolarHBondContact O-N 3.48Å; S562-M564 PolarHBondContact OG-N 3.03Å; S562-I565 PolarHBondContact O-N 3.45Å; S562-I565 PolarHBondContact OG-N 3.41Å; S562-I565 VanDerWaalsContact OG-N 3.14Å; S562-A566 PolarHBondContact O-N 2.97Å; S562-A566 VanDerWaalsContact O-N 3.14Å; S562-L916 WeakPolarHBondContact CB-O 3.42Å; S562-L916 PolarHBondContact OG-O 2.94Å
563P97.1Very high95.8Very high14 Ų1429.3 Ų29.39%0.09115%0.153CC..Hα-helixtrans-62.9-31167.525.6-33.8000112.6I565 A566 S567 L916 Q917 E918P563-I565 PolarHBondContact O-N 3.33Å; P563-A566 PolarHBondContact O-N 3.26Å; P563-S567 WeakPolarHBondContact O-CB 3.47Å; P563-S567 PolarHBondContact O-N 2.94Å; P563-S567 PolarHBondContact O-OG 3.17Å; P563-L916 VanDerWaalsContact CD-O 3.23Å; P563-L916 WeakPolarHBondContact CD-O 3.23Å; P563-Q917 VanDerWaalsContact CG-O 3.24Å; P563-Q917 WeakPolarHBondContact CG-O 3.48Å; P563-E918 HydrophobicContact CB-CG 4.32Å; P563-E918 HydrophobicContact CG-CB 4.23Å; P563-E918 HydrophobicContact CG-CG 4.28Å
564M97.5Very high95.6Very high30 Ų3024.6 Ų24.615%0.14813%0.134CC..Hα-helixtrans-60.4-46.3176.4-171.9-166.88200111.2S562 S567 Q568 A629 Y698 A915 L916 E918S562-M564 VanDerWaalsContact C-N 3.26Å; S562-M564 PolarHBondContact O-N 3.48Å; S562-M564 PolarHBondContact OG-N 3.03Å; M564-S567 PolarHBondContact O-N 2.89Å; M564-Q568 VanDerWaalsContact O-CB 3.31Å; M564-Q568 WeakPolarHBondContact O-CB 3.5Å; M564-Q568 PolarHBondContact O-N 3.12Å; M564-A629 HydrophobicContact CE-CB 3.69Å; M564-Y698 HydrophobicContact CE-CD1 3.88Å; M564-Y698 HydrophobicContact CE-CD2 4.18Å; M564-Y698 HydrophobicContact CE-CE1 4.22Å; M564-Y698 HydrophobicContact CE-CE2 4.49Å; M564-Y698 HydrophobicContact CE-CG 3.87Å; M564-Y698 HydrophobicContact SD-CD2 4.1Å; M564-Y698 HydrophobicContact SD-CG 3.96Å; M564-A915 WeakPolarHBondContact CB-O 3.47Å; M564-L916 WeakPolarHBondContact CB-O 3.39Å; M564-L916 HydrophobicContact CE-CD2 3.65Å; M564-L916 PolarHBondContact N-O 2.72Å; M564-L916 HydrophobicContact SD-CD2 4.45Å; M564-E918 HydrophobicContact CB-CG 4.06Å
565I97.4Very high95.6Very high0 Ų023 Ų230%013%0.127CC..Hα-helixtrans-64.9-43176.1-64.2175.4000110.3L558 S562 P563 S567 Q568 L569 L626 A629 I633L558-I565 HydrophobicContact CB-CD1 4.5Å; L558-I565 HydrophobicContact CB-CG2 3.95Å; L558-I565 HydrophobicContact CD1-CG2 4.42Å; L558-I565 HydrophobicContact CD2-CD1 4.07Å; S562-I565 PolarHBondContact O-N 3.45Å; S562-I565 PolarHBondContact OG-N 3.41Å; S562-I565 VanDerWaalsContact OG-N 3.14Å; P563-I565 PolarHBondContact O-N 3.33Å; I565-S567 PolarHBondContact O-N 2.56Å; I565-Q568 WeakPolarHBondContact O-CB 3.43Å; I565-Q568 PolarHBondContact O-N 2.93Å; I565-L569 HydrophobicContact CG2-CD1 3.81Å; I565-L569 HydrophobicContact CG2-CG 4.1Å; I565-L569 WeakPolarHBondContact O-CG 3.37Å; I565-L569 PolarHBondContact O-N 2.97Å; I565-L626 HydrophobicContact CG2-CD1 3.61Å; I565-A629 HydrophobicContact CD1-CB 3.88Å; I565-A629 HydrophobicContact CG1-CB 3.94Å; I565-I633 HydrophobicContact CD1-CG1 4.27Å
566A97.1Very high95.4Very high5 Ų523 Ų234%0.04113%0.127CC..Hα-helixtrans-58.6-47.9176.800000112.3R527 C559 S562 P563 Q568 L569 A570R527-A566 HydrophobicContact CB-CB 3.86Å; R527-A566 HydrophobicContact CG-CB 4.28Å; C559-A566 HydrophobicContact CB-CB 4.06Å; S562-A566 PolarHBondContact O-N 2.97Å; S562-A566 VanDerWaalsContact O-N 3.14Å; P563-A566 PolarHBondContact O-N 3.26Å; A566-Q568 VanDerWaalsContact C-N 3.32Å; A566-Q568 PolarHBondContact O-N 3.12Å; A566-L569 PolarHBondContact O-N 3.49Å; A566-A570 VanDerWaalsContact O-CB 3.32Å; A566-A570 WeakPolarHBondContact O-CB 3.39Å; A566-A570 PolarHBondContact O-N 3.22Å
567S96.1Very high95Very high40 Ų4027.7 Ų27.728%0.2815%0.152SC..Hα-helixtrans-60.8-39.1174.8-74.80000112.1P563 M564 I565 R571 E918P563-S567 WeakPolarHBondContact O-CB 3.47Å; P563-S567 PolarHBondContact O-N 2.94Å; P563-S567 PolarHBondContact O-OG 3.17Å; M564-S567 PolarHBondContact O-N 2.89Å; I565-S567 PolarHBondContact O-N 2.56Å; S567-R571 VanDerWaalsContact O-CB 3.31Å; S567-R571 WeakPolarHBondContact O-CB 3.22Å; S567-R571 PolarHBondContact O-N 2.86Å; S567-E918 VanDerWaalsContact CB-OE1 3.3Å; S567-E918 WeakPolarHBondContact CB-OE1 3.03Å; S567-E918 PolarHBondContact OG-OE1 3.49Å; S567-E918 PolarHBondContact OG-OE2 2.91Å
568Q96.2Very high94.8Very high17 Ų1727 Ų278%0.07914%0.143CC..Hα-helixtrans-65.8-49.6177.5-170-171.324.500111.6M564 I565 A566 A570 R571 Y572 L575 Q622M564-Q568 VanDerWaalsContact O-CB 3.31Å; M564-Q568 WeakPolarHBondContact O-CB 3.5Å; M564-Q568 PolarHBondContact O-N 3.12Å; I565-Q568 WeakPolarHBondContact O-CB 3.43Å; I565-Q568 PolarHBondContact O-N 2.93Å; A566-Q568 VanDerWaalsContact C-N 3.32Å; A566-Q568 PolarHBondContact O-N 3.12Å; Q568-A570 VanDerWaalsContact C-N 3.33Å; Q568-A570 PolarHBondContact O-N 2.84Å; Q568-R571 PolarHBondContact O-N 3.11Å; Q568-Y572 HydrophobicContact CG-CD2 3.99Å; Q568-Y572 WeakPolarHBondContact O-CD2 3.3Å; Q568-Y572 PolarHBondContact O-N 3.44Å; Q568-L575 HydrophobicContact CG-CD1 3.84Å; Q568-Q622 PolarHBondContact NE2-O 2.83Å
569L96.1Very high94.6Very high0 Ų027 Ų270%014%0.143CC..Hα-helixtrans-64.9-36.3179-68.1175.7000111.9L531 L555 I565 A566 Y572 P573 L575 L579 L626L531-L569 HydrophobicContact CD1-CB 3.5Å; L531-L569 HydrophobicContact CD1-CD1 4.46Å; L555-L569 HydrophobicContact CD1-CD1 3.57Å; I565-L569 HydrophobicContact CG2-CD1 3.81Å; I565-L569 HydrophobicContact CG2-CG 4.1Å; I565-L569 WeakPolarHBondContact O-CG 3.37Å; I565-L569 PolarHBondContact O-N 2.97Å; A566-L569 PolarHBondContact O-N 3.49Å; L569-Y572 CarbonylContact O-C 3.56Å; L569-P573 VanDerWaalsContact O-CA 3.32Å; L569-P573 WeakPolarHBondContact O-CA 3.43Å; L569-L575 HydrophobicContact CD2-CB 3.62Å; L569-L575 HydrophobicContact CD2-CD1 4.37Å; L569-L579 HydrophobicContact CD1-CD1 4.4Å; L569-L626 HydrophobicContact CD2-CD1 4.3Å; L569-L626 HydrophobicContact CD2-CD2 3.8Å
570A94Very high94.1Very high30 Ų3029.9 Ų29.925%0.24816%0.158CC..Hα-helixtrans-64.7-39173.500000112.4L531 A566 Q568L531-A570 HydrophobicContact CB-CB 3.97Å; L531-A570 HydrophobicContact CG-CB 4.19Å; A566-A570 VanDerWaalsContact O-CB 3.32Å; A566-A570 WeakPolarHBondContact O-CB 3.39Å; A566-A570 PolarHBondContact O-N 3.22Å; Q568-A570 VanDerWaalsContact C-N 3.33Å; Q568-A570 PolarHBondContact O-N 2.84Å
571R92.4Very high93.6Very high167 Ų16732.5 Ų32.563%0.6317%0.171SC*.Hα-helixtrans-77.7-36.5-179.7-165.6178.2-58.4174.46.5112.5S567 Q568 P573S567-R571 VanDerWaalsContact O-CB 3.31Å; S567-R571 WeakPolarHBondContact O-CB 3.22Å; S567-R571 PolarHBondContact O-N 2.86Å; Q568-R571 PolarHBondContact O-N 3.11Å; R571-P573 VanDerWaalsContact C-CD 3.48Å; R571-P573 WeakPolarHBondContact O-CD 3.23Å
572Y92.9Very high93.1Very high27 Ų2733.2 Ų33.211%0.10617%0.172CC..  trans-125.571.4-176.7-49.5-63000110.6Q568 L569 L574 L575 Q622 S745Q568-Y572 HydrophobicContact CG-CD2 3.99Å; Q568-Y572 WeakPolarHBondContact O-CD2 3.3Å; Q568-Y572 PolarHBondContact O-N 3.44Å; L569-Y572 CarbonylContact O-C 3.56Å; Y572-L574 PolarHBondContact O-N 3.3Å; Y572-L575 VanDerWaalsContact O-CB 3.26Å; Y572-L575 WeakPolarHBondContact O-CB 3.29Å; Y572-L575 VanDerWaalsContact O-CG 3.23Å; Y572-L575 WeakPolarHBondContact O-CG 3.38Å; Y572-L575 PolarHBondContact O-N 2.83Å; Y572-Q622 HydrophobicContact CD2-CB 4.35Å; Y572-Q622 HydrophobicContact CD2-CG 3.8Å; Y572-Q622 HydrophobicContact CE2-CG 3.85Å; Y572-Q622 VanDerWaalsContact CE2-OE1 3.3Å; Y572-Q622 HydrophobicContact CG-CG 4.14Å; Y572-S745 VanDerWaalsContact CE1-O 3.29Å; Y572-S745 WeakPolarHBondContact CE1-O 3.28Å
573P92.4Very high92.4Very high9 Ų938.3 Ų38.36%0.05820%0.2CC..G310 helixtrans-68.2-8.4-173.529.2-39.2000114.9I535 Y541 L569 R571 L575 L576I535-P573 HydrophobicContact CG2-CB 3.23Å; I535-P573 HydrophobicContact CG2-CG 3.83Å; Y541-P573 HydrophobicContact CD2-CB 3.73Å; Y541-P573 HydrophobicContact CD2-CG 4.15Å; Y541-P573 HydrophobicContact CE2-CB 3.52Å; Y541-P573 HydrophobicContact CE2-CG 3.56Å; L569-P573 VanDerWaalsContact O-CA 3.32Å; L569-P573 WeakPolarHBondContact O-CA 3.43Å; R571-P573 VanDerWaalsContact C-CD 3.48Å; R571-P573 WeakPolarHBondContact O-CD 3.23Å; P573-L575 PolarHBondContact O-N 3.38Å; P573-L576 HydrophobicContact CB-CD1 4.5Å; P573-L576 WeakPolarHBondContact O-CB 3.09Å; P573-L576 VanDerWaalsContact O-CG 3.23Å; P573-L576 WeakPolarHBondContact O-CG 2.96Å; P573-L576 PolarHBondContact O-N 3.11Å
574L90.6Very high92Very high41 Ų4140 Ų4022%0.21521%0.21CC..G310 helixtrans-59.3-25.8167.271.294.7000112.3Y541 Y572 L576 D577 Q619Y541-L574 WeakPolarHBondContact OH-CA 3.48Å; Y541-L574 PolarHBondContact OH-N 2.96Å; Y572-L574 PolarHBondContact O-N 3.3Å; L574-L576 PolarHBondContact O-N 3.42Å; L574-D577 WeakPolarHBondContact O-CB 3.25Å; L574-D577 PolarHBondContact O-N 3.16Å; L574-Q619 HydrophobicContact CD1-CB 4.37Å; L574-Q619 HydrophobicContact CD1-CG 4.31Å; L574-Q619 HydrophobicContact CD2-CG 3.74Å
575L94.2Very high91.7Very high0 Ų038.6 Ų38.60%020%0.203CC..G310 helixtrans-69.3-9179.1-63.6-179.8000113.5Q568 L569 Y572 P573 D577 E578 Q622 A623 L626Q568-L575 HydrophobicContact CG-CD1 3.84Å; L569-L575 HydrophobicContact CD2-CB 3.62Å; L569-L575 HydrophobicContact CD2-CD1 4.37Å; Y572-L575 VanDerWaalsContact O-CB 3.26Å; Y572-L575 WeakPolarHBondContact O-CB 3.29Å; Y572-L575 VanDerWaalsContact O-CG 3.23Å; Y572-L575 WeakPolarHBondContact O-CG 3.38Å; Y572-L575 PolarHBondContact O-N 2.83Å; P573-L575 PolarHBondContact O-N 3.38Å; L575-D577 PolarHBondContact O-N 3.07Å; L575-E578 HydrophobicContact CD2-CG 4.4Å; L575-E578 WeakPolarHBondContact O-CB 3.45Å; L575-E578 PolarHBondContact O-N 2.9Å; L575-E578 VanDerWaalsContact O-N 3.08Å; L575-Q622 HydrophobicContact CD1-CB 4.15Å; L575-Q622 HydrophobicContact CD2-CB 4.11Å; L575-A623 HydrophobicContact CD2-CB 3.96Å; L575-L626 HydrophobicContact CB-CD2 3.9Å; L575-L626 HydrophobicContact CD1-CB 4.47Å; L575-L626 HydrophobicContact CD1-CD2 4.32Å
576L93Very high91.5Very high0 Ų040.3 Ų40.30%021%0.209CC..G310 helixtrans-61.5-23.3172.1-63.3175.9000112I535 Y541 L544 L545 L555 P573 L574 E578 L579I535-L576 HydrophobicContact CD1-CD1 3.97Å; Y541-L576 HydrophobicContact CD1-CD1 4.49Å; Y541-L576 HydrophobicContact CG-CD1 4.13Å; L544-L576 HydrophobicContact CD2-CB 4.25Å; L545-L576 HydrophobicContact CD2-CD2 4.48Å; L555-L576 HydrophobicContact CD1-CD2 4.02Å; P573-L576 HydrophobicContact CB-CD1 4.5Å; P573-L576 WeakPolarHBondContact O-CB 3.09Å; P573-L576 VanDerWaalsContact O-CG 3.23Å; P573-L576 WeakPolarHBondContact O-CG 2.96Å; P573-L576 PolarHBondContact O-N 3.11Å; L574-L576 PolarHBondContact O-N 3.42Å; L576-E578 VanDerWaalsContact C-N 3.3Å; L576-E578 PolarHBondContact O-N 2.98Å; L576-L579 HydrophobicContact CD2-CD1 3.76Å; L576-L579 WeakPolarHBondContact O-CB 3.49Å; L576-L579 PolarHBondContact O-N 3.35Å
577D88.6Confident91.3Very high103 Ų10346.2 Ų46.255%0.55124%0.236SC*.G310 helixtrans-63.1-35.6173.4-16045.3000111.8L574 L575 L579 L580L574-D577 WeakPolarHBondContact O-CB 3.25Å; L574-D577 PolarHBondContact O-N 3.16Å; L575-D577 PolarHBondContact O-N 3.07Å; D577-L579 PolarHBondContact O-N 3.23Å; D577-L579 VanDerWaalsContact O-N 3.16Å; D577-L580 WeakPolarHBondContact O-CB 3.29Å; D577-L580 WeakPolarHBondContact O-CG 3.31Å; D577-L580 PolarHBondContact O-N 2.96Å; D577-L580 VanDerWaalsContact O-N 3.14Å; D577-L580 VanDerWaalsContact OD1-CD1 3.28Å; D577-L580 WeakPolarHBondContact OD1-CD1 3.3Å
578E91.4Very high91.1Very high39 Ų3945.5 Ų45.518%0.18223%0.23CC..G310 helixtrans-65.6-18.3177-54.7-65.2141.500112.2L575 L576 L580 A623 L626L575-E578 HydrophobicContact CD2-CG 4.4Å; L575-E578 WeakPolarHBondContact O-CB 3.45Å; L575-E578 PolarHBondContact O-N 2.9Å; L575-E578 VanDerWaalsContact O-N 3.08Å; L576-E578 VanDerWaalsContact C-N 3.3Å; L576-E578 PolarHBondContact O-N 2.98Å; E578-L580 VanDerWaalsContact C-N 3.3Å; E578-A623 HydrophobicContact CG-CB 4.23Å; E578-L626 HydrophobicContact CB-CD2 3.93Å; E578-L626 HydrophobicContact CG-CD2 4.23Å
579L92.9Very high91Very high0 Ų044.8 Ų44.80%023%0.227CC..G310 helixtrans-80.5-10.8178.8-52.2-178000113.2A551 L555 L558 L569 L576 D577 L585A551-L579 WeakPolarHBondContact CA-O 3.4Å; A551-L579 HydrophobicContact CB-CB 3.96Å; L555-L579 HydrophobicContact CB-CD1 3.81Å; L555-L579 HydrophobicContact CD1-CD1 3.92Å; L555-L579 HydrophobicContact CG-CD1 4.47Å; L558-L579 HydrophobicContact CD1-CD2 3.9Å; L569-L579 HydrophobicContact CD1-CD1 4.4Å; L576-L579 HydrophobicContact CD2-CD1 3.76Å; L576-L579 WeakPolarHBondContact O-CB 3.49Å; L576-L579 PolarHBondContact O-N 3.35Å; D577-L579 PolarHBondContact O-N 3.23Å; D577-L579 VanDerWaalsContact O-N 3.16Å; L579-L585 HydrophobicContact CD2-CD1 4.03Å; L579-L585 HydrophobicContact CD2-CD2 3.83Å
580L86.9Confident90.9Very high60 Ų6047.4 Ų47.431%0.31425%0.249SC..SBendtrans-74.8-30.3-178.7-64.7176.3000113L544 F548 A551 D577 E578L544-L580 HydrophobicContact CD1-CD1 4.17Å; L544-L580 HydrophobicContact CD1-CD2 4.43Å; L544-L580 HydrophobicContact CD1-CG 4.46Å; L544-L580 HydrophobicContact CD2-CD2 3.99Å; L544-L580 HydrophobicContact CG-CD2 4.06Å; F548-L580 HydrophobicContact CB-CD2 3.78Å; F548-L580 HydrophobicContact CD1-CD2 4.07Å; F548-L580 HydrophobicContact CD2-CD2 3.44Å; F548-L580 VanDerWaalsContact CD2-CD2 3.44Å; F548-L580 HydrophobicContact CE2-CD2 4Å; F548-L580 HydrophobicContact CG-CD2 3.48Å; F548-L580 VanDerWaalsContact CG-CD2 3.48Å; A551-L580 HydrophobicContact CB-CD2 4.02Å; D577-L580 WeakPolarHBondContact O-CB 3.29Å; D577-L580 WeakPolarHBondContact O-CG 3.31Å; D577-L580 PolarHBondContact O-N 2.96Å; D577-L580 VanDerWaalsContact O-N 3.14Å; D577-L580 VanDerWaalsContact OD1-CD1 3.28Å; D577-L580 WeakPolarHBondContact OD1-CD1 3.3Å; E578-L580 VanDerWaalsContact C-N 3.3Å
581D85.7Confident90.9Very high67 Ų6748.6 Ų48.636%0.35825%0.253SS..  trans-119.4101.7-179.6-172.33.7000111.7N583 T584 L585D581-N583 PolarHBondContact O-N 3.5Å; D581-N583 VanDerWaalsContact O-N 3.13Å; D581-N583 VanDerWaalsContact OD1-CB 3.29Å; D581-N583 WeakPolarHBondContact OD1-CB 3.5Å; D581-N583 PolarHBondContact OD1-N 3.2Å; D581-N583 PolarHBondContact OD1-ND2 3.38Å; D581-T584 PolarHBondContact O-N 3.17Å; D581-T584 PolarHBondContact O-OG1 2.78Å; D581-T584 VanDerWaalsContact O-OG1 3.1Å; D581-L585 WeakPolarHBondContact O-CB 3.29Å; D581-L585 PolarHBondContact O-N 2.89Å; D581-L585 VanDerWaalsContact O-N 3.09Å
582P85.3Confident91Very high48 Ų4846.6 Ų46.631%0.31226%0.255SS..Hα-helixtrans-60.6-24.5177.8-22.534.2000113.4H554 T584 Y586H554-P582 VanDerWaalsContact NE2-CG 3.32Å; H554-P582 WeakPolarHBondContact NE2-CG 3.47Å; P582-T584 VanDerWaalsContact C-N 3.34Å; P582-Y586 HydrophobicContact CB-CD2 4.25Å; P582-Y586 HydrophobicContact CB-CE2 4.42Å; P582-Y586 WeakPolarHBondContact O-CD2 3.49Å; P582-Y586 PolarHBondContact O-N 3.08Å
583N83.4Confident91.2Very high108 Ų10846.5 Ų46.558%0.57826%0.259SS*.Hα-helixtrans-70-32.8-177.7-59.2-63000112D581 Q587D581-N583 PolarHBondContact O-N 3.5Å; D581-N583 VanDerWaalsContact O-N 3.13Å; D581-N583 VanDerWaalsContact OD1-CB 3.29Å; D581-N583 WeakPolarHBondContact OD1-CB 3.5Å; D581-N583 PolarHBondContact OD1-N 3.2Å; D581-N583 PolarHBondContact OD1-ND2 3.38Å; N583-Q587 VanDerWaalsContact O-CB 3.22Å; N583-Q587 WeakPolarHBondContact O-CB 3.48Å; N583-Q587 VanDerWaalsContact O-CG 3.28Å; N583-Q587 WeakPolarHBondContact O-CG 3.24Å
584T87.2Confident91.4Very high49 Ų4946.2 Ų46.230%0.30126%0.257SS..Hα-helixtrans-89.4-36.4174.959.30000111.2D581 P582 Y586 Q587 R627D581-T584 PolarHBondContact O-N 3.17Å; D581-T584 PolarHBondContact O-OG1 2.78Å; D581-T584 VanDerWaalsContact O-OG1 3.1Å; P582-T584 VanDerWaalsContact C-N 3.34Å; T584-Y586 PolarHBondContact O-N 3.45Å; T584-Q587 CarbonylContact O-C 3.59Å; T584-Q587 PolarHBondContact O-N 3.05Å; T584-R627 PolarHBondContact O-NE 3.48Å; T584-R627 PolarHBondContact O-NH2 2.98Å
585L92.5Very high91.7Very high0 Ų049.9 Ų49.90%027%0.268CS..Hα-helixtrans-58.4-45.9-178.1-177.360.2000112.9H554 L558 L579 D581 L626 A630H554-L585 HydrophobicContact CB-CD2 4.08Å; L558-L585 HydrophobicContact CD1-CD1 4.31Å; L558-L585 HydrophobicContact CD1-CD2 4.11Å; L579-L585 HydrophobicContact CD2-CD1 4.03Å; L579-L585 HydrophobicContact CD2-CD2 3.83Å; D581-L585 WeakPolarHBondContact O-CB 3.29Å; D581-L585 PolarHBondContact O-N 2.89Å; D581-L585 VanDerWaalsContact O-N 3.09Å; L585-L626 HydrophobicContact CD1-CD2 4.41Å; L585-L626 HydrophobicContact CD1-CG 4.24Å; L585-A630 HydrophobicContact CD1-CB 3.96Å; L585-A630 HydrophobicContact CG-CB 4.19Å
586Y93.6Very high91.8Very high36 Ų3654 Ų5414%0.14129%0.29CS..THydrogen-bonded Turntrans-100.72.2-176.3-60.9-68.7000114H554 L558 P582 T584 A630 A634 T636H554-Y586 AromaticContact CE1-CE2 3.56Å; H554-Y586 AromaticContact ND1-CE2 3.42Å; H554-Y586 WeakPolarHBondContact ND1-CE2 3.4Å; H554-Y586 AromaticContact ND1-CZ 3.6Å; H554-Y586 PolarHBondContact ND1-OH 2.9Å; L558-Y586 HydrophobicContact CD2-CE1 4.1Å; P582-Y586 HydrophobicContact CB-CD2 4.25Å; P582-Y586 HydrophobicContact CB-CE2 4.42Å; P582-Y586 WeakPolarHBondContact O-CD2 3.49Å; P582-Y586 PolarHBondContact O-N 3.08Å; T584-Y586 PolarHBondContact O-N 3.45Å; Y586-A630 HydrophobicContact CD1-CB 4.24Å; Y586-A630 HydrophobicContact CE1-CB 4.22Å; Y586-A634 HydrophobicContact CD1-CB 3.47Å; Y586-A634 VanDerWaalsContact CD1-CB 3.47Å; Y586-A634 HydrophobicContact CE1-CB 3.78Å; Y586-A634 HydrophobicContact CG-CB 4.39Å; Y586-T636 WeakPolarHBondContact O-CB 3.3Å; Y586-T636 PolarHBondContact O-OG1 3.35Å
587Q91.1Very high91.8Very high130 Ų13057.1 Ų57.161%0.60731%0.305SS*.SBendtrans-119.797.7171.6-54.9-171.43.300108.6N583 T584 R627N583-Q587 VanDerWaalsContact O-CB 3.22Å; N583-Q587 WeakPolarHBondContact O-CB 3.48Å; N583-Q587 VanDerWaalsContact O-CG 3.28Å; N583-Q587 WeakPolarHBondContact O-CG 3.24Å; T584-Q587 CarbonylContact O-C 3.59Å; T584-Q587 PolarHBondContact O-N 3.05Å; Q587-R627 PolarHBondContact O-NH2 3.49Å
588P92.7Very high92.2Very high24 Ų2452.4 Ų52.416%0.15628%0.28CS..PPolyproline II helixtrans-57.5152.4176.9-22.634.2000110.9A590 I628 A631 L637P588-A590 PolarHBondContact O-N 2.99Å; P588-I628 HydrophobicContact CB-CG1 4.37Å; P588-A631 VanDerWaalsContact CD-CB 3.48Å; P588-A631 HydrophobicContact CG-CB 3.34Å; P588-L637 HydrophobicContact CG-CB 4.36Å; P588-L637 HydrophobicContact CG-CD2 4.2Å
589T93.9Very high92.3Very high3 Ų356.4 Ų56.42%0.01829%0.293CS..PPolyproline II helixtrans-53.2136.7174.8-67.80000110.6T591 A593 Y594 E597 Q624 R627 H645T589-T591 PolarHBondContact O-N 3.47Å; T589-A593 HydrophobicContact CG2-CB 3.88Å; T589-Y594 HydrophobicContact CG2-CD1 4.08Å; T589-Y594 HydrophobicContact CG2-CD2 4.4Å; T589-Y594 HydrophobicContact CG2-CE1 4.27Å; T589-Y594 HydrophobicContact CG2-CG 4.15Å; T589-E597 HydrophobicContact CG2-CB 4.4Å; T589-E597 HydrophobicContact CG2-CG 3.83Å; T589-E597 PolarHBondContact OG1-OE1 3.26Å; T589-Q624 PolarHBondContact OG1-OE1 3.42Å; T589-R627 PolarHBondContact OG1-NH1 3.42Å; T589-H645 PolarHBondContact O-CE1 3.41Å; T589-H645 PolarHBondContact O-ND1 3.45Å
590A94.4Very high92.2Very high55 Ų5562.8 Ų62.846%0.45532%0.323SS..PPolyproline II helixtrans-55140.8175.400000110.1P588 D592 A593P588-A590 PolarHBondContact O-N 2.99Å; A590-D592 WeakPolarHBondContact CB-OD1 3.33Å; A590-D592 PolarHBondContact O-N 2.92Å; A590-A593 HydrophobicContact CB-CB 4.11Å; A590-A593 PolarHBondContact O-N 2.98Å
591T94.1Very high92.3Very high54 Ų5462.2 Ų62.233%0.33132%0.317SS..THydrogen-bonded Turntrans-59-27.4-169.249.50000114.2T589 W648T589-T591 PolarHBondContact O-N 3.47Å; T591-W648 HydrophobicContact CG2-CG 4.47Å
592D95.1Very high92.6Very high126 Ų12660.5 Ų60.567%0.67431%0.308SS*.THydrogen-bonded Turntrans-87.8-13.3177.159.6-23.6000114A590A590-D592 WeakPolarHBondContact CB-OD1 3.33Å; A590-D592 PolarHBondContact O-N 2.92Å
593A96Very high92.7Very high24 Ų2465.3 Ų65.320%0.19833%0.33CS..THydrogen-bonded Turntrans-96.5-7.6-173.300000114.5T589 A590 R595 D596 E597T589-A593 HydrophobicContact CG2-CB 3.88Å; A590-A593 HydrophobicContact CB-CB 4.11Å; A590-A593 PolarHBondContact O-N 2.98Å; A593-R595 PolarHBondContact O-N 3.32Å; A593-R595 VanDerWaalsContact O-N 3.15Å; A593-D596 PolarHBondContact O-N 3.47Å; A593-E597 WeakPolarHBondContact O-CG 3.44Å; A593-E597 PolarHBondContact O-N 3.22Å
594Y97.7Very high92.8Very high3 Ų367 Ų671%0.01233%0.328CS..Hα-helixtrans-54.3-37.9-178.2-81.6-74.7000113.7T589 L598 Q624 H645 W648 L649T589-Y594 HydrophobicContact CG2-CD1 4.08Å; T589-Y594 HydrophobicContact CG2-CD2 4.4Å; T589-Y594 HydrophobicContact CG2-CE1 4.27Å; T589-Y594 HydrophobicContact CG2-CG 4.15Å; Y594-L598 VanDerWaalsContact O-CB 3.23Å; Y594-L598 WeakPolarHBondContact O-CB 3.37Å; Y594-L598 PolarHBondContact O-N 2.98Å; Y594-Q624 HydrophobicContact CD1-CG 4.4Å; Y594-Q624 HydrophobicContact CE1-CB 4.22Å; Y594-Q624 HydrophobicContact CE1-CG 4.1Å; Y594-H645 AromaticContact CE2-ND1 3.78Å; Y594-H645 AromaticContact CZ-ND1 3.76Å; Y594-H645 PolarHBondContact OH-ND1 3.27Å; Y594-W648 HydrophobicContact CD2-CB 3.67Å; Y594-W648 HydrophobicContact CE2-CB 3.93Å; Y594-L649 HydrophobicContact CD1-CB 4.27Å; Y594-L649 HydrophobicContact CD1-CD1 3.97Å; Y594-L649 HydrophobicContact CE1-CB 4.11Å; Y594-L649 HydrophobicContact CE1-CD1 4.12Å
595R96.5Very high92.6Very high118 Ų11865.5 Ų65.545%0.44532%0.319SS..Hα-helixtrans-71.4-36.9178.2-66.8170.869.6-166.45.5112.1A593 R599 A652 D655A593-R595 PolarHBondContact O-N 3.32Å; A593-R595 VanDerWaalsContact O-N 3.15Å; R595-R599 WeakPolarHBondContact O-CB 3.49Å; R595-R599 WeakPolarHBondContact O-CG 3.33Å; R595-R599 PolarHBondContact O-N 2.95Å; R595-A652 HydrophobicContact CG-CB 3.82Å; R595-D655 IonicContact CZ-OD2 3.41Å; R595-D655 IonicContact NE-OD2 3.2Å; R595-D655 PolarHBondContact NE-OD2 3.47Å; R595-D655 IonicContact NH2-OD1 3.17Å; R595-D655 IonicContact NH2-OD2 3Å; R595-D655 PolarHBondContact NH2-OD2 2.93Å
596D95.4Very high92.2Very high87 Ų8768 Ų6847%0.46534%0.335SS..Hα-helixtrans-70.3-46.6178.2-71.7-35000111.3A593 L598 R599 Q600A593-D596 PolarHBondContact O-N 3.47Å; D596-L598 VanDerWaalsContact C-N 3.33Å; D596-L598 PolarHBondContact O-N 3.02Å; D596-R599 WeakPolarHBondContact O-CB 3.43Å; D596-R599 PolarHBondContact O-N 3.27Å; D596-R599 IonicContact OD1-CZ 3.6Å; D596-R599 IonicContact OD1-NE 3.33Å; D596-R599 PolarHBondContact OD1-NE 2.84Å; D596-R599 IonicContact OD1-NH2 3.4Å; D596-R599 PolarHBondContact OD1-NH2 3.41Å; D596-Q600 WeakPolarHBondContact O-CB 3.41Å; D596-Q600 PolarHBondContact O-N 3.02Å
597E93.6Very high91.8Very high65 Ų6574.9 Ų74.930%0.30437%0.369SS..Hα-helixtrans-61.2-41.8176.1-72.9-115.7-13100111.6T589 A593 Q600 Y601 F620T589-E597 HydrophobicContact CG2-CB 4.4Å; T589-E597 HydrophobicContact CG2-CG 3.83Å; T589-E597 PolarHBondContact OG1-OE1 3.26Å; A593-E597 WeakPolarHBondContact O-CG 3.44Å; A593-E597 PolarHBondContact O-N 3.22Å; E597-Q600 PolarHBondContact O-N 2.96Å; E597-Y601 WeakPolarHBondContact O-CB 3.34Å; E597-Y601 PolarHBondContact O-N 2.94Å; E597-F620 HydrophobicContact CB-CE2 3.99Å; E597-F620 HydrophobicContact CB-CZ 3.94Å
598L96.9Very high91.5Very high5 Ų576 Ų763%0.02638%0.379CS..Hα-helixtrans-63.1-45.2174.5-17958.5000112Y594 D596 Q600 Y601 L602 L617 F620 A652 M653 A656Y594-L598 VanDerWaalsContact O-CB 3.23Å; Y594-L598 WeakPolarHBondContact O-CB 3.37Å; Y594-L598 PolarHBondContact O-N 2.98Å; D596-L598 VanDerWaalsContact C-N 3.33Å; D596-L598 PolarHBondContact O-N 3.02Å; L598-Q600 VanDerWaalsContact C-N 3.32Å; L598-Q600 PolarHBondContact O-N 3.3Å; L598-Y601 PolarHBondContact O-N 3.33Å; L598-L602 HydrophobicContact CD1-CD1 4.16Å; L598-L602 HydrophobicContact CD1-CG 4.26Å; L598-L602 HydrophobicContact CG-CD1 4.14Å; L598-L602 WeakPolarHBondContact O-CG 3.41Å; L598-L602 PolarHBondContact O-N 3.05Å; L598-L617 HydrophobicContact CD1-CD2 3.89Å; L598-L617 HydrophobicContact CD2-CD2 4.39Å; L598-F620 HydrophobicContact CB-CD1 4.47Å; L598-F620 HydrophobicContact CB-CE1 4.02Å; L598-F620 HydrophobicContact CB-CE2 4.33Å; L598-F620 HydrophobicContact CB-CZ 3.94Å; L598-F620 HydrophobicContact CD1-CB 4.04Å; L598-F620 HydrophobicContact CD1-CD1 3.72Å; L598-F620 HydrophobicContact CD1-CD2 4.15Å; L598-F620 HydrophobicContact CD1-CE1 4.13Å; L598-F620 HydrophobicContact CD1-CG 3.7Å; L598-A652 HydrophobicContact CD2-CB 4.5Å; L598-A652 WeakPolarHBondContact CD2-O 3.48Å; L598-M653 HydrophobicContact CD1-CE 3.87Å; L598-M653 HydrophobicContact CD2-CE 3.42Å; L598-M653 VanDerWaalsContact CD2-CE 3.42Å; L598-M653 HydrophobicContact CD2-SD 4.36Å; L598-M653 HydrophobicContact CG-CE 4.14Å; L598-A656 HydrophobicContact CD2-CB 3.45Å; L598-A656 VanDerWaalsContact CD2-CB 3.45Å; L598-A656 HydrophobicContact CG-CB 4.36Å
599R93.6Very high91.2Very high122 Ų12277.4 Ų77.446%0.4639%0.385SS..Hα-helixtrans-57.8-46.7174.9-81.5-173.4-77.3-101.28.3111R595 D596 Y601 L602 L603R595-R599 WeakPolarHBondContact O-CB 3.49Å; R595-R599 WeakPolarHBondContact O-CG 3.33Å; R595-R599 PolarHBondContact O-N 2.95Å; D596-R599 WeakPolarHBondContact O-CB 3.43Å; D596-R599 PolarHBondContact O-N 3.27Å; D596-R599 IonicContact OD1-CZ 3.6Å; D596-R599 IonicContact OD1-NE 3.33Å; D596-R599 PolarHBondContact OD1-NE 2.84Å; D596-R599 IonicContact OD1-NH2 3.4Å; D596-R599 PolarHBondContact OD1-NH2 3.41Å; R599-Y601 VanDerWaalsContact C-N 3.33Å; R599-Y601 PolarHBondContact O-N 2.81Å; R599-L602 PolarHBondContact O-N 2.9Å; R599-L603 PolarHBondContact O-N 3.1Å
600Q89.7Confident90.9Very high135 Ų13580.3 Ų80.363%0.63140%0.398SS*.Hα-helixtrans-61.7-41178.1-177.4171.9-3.200111.9D596 E597 L598 L602 L603D596-Q600 WeakPolarHBondContact O-CB 3.41Å; D596-Q600 PolarHBondContact O-N 3.02Å; E597-Q600 PolarHBondContact O-N 2.96Å; L598-Q600 VanDerWaalsContact C-N 3.32Å; L598-Q600 PolarHBondContact O-N 3.3Å; Q600-L602 VanDerWaalsContact C-N 3.3Å; Q600-L602 PolarHBondContact O-N 3.13Å; Q600-L603 WeakPolarHBondContact O-CB 3.41Å; Q600-L603 PolarHBondContact O-N 3.47Å
601Y90.3Very high90.6Very high48 Ų4884.7 Ų84.719%0.18841%0.41CS..Hα-helixtrans-63-36.5177-165.2-93.3000112.5E597 L598 R599 R604 A616 Q619 F620E597-Y601 WeakPolarHBondContact O-CB 3.34Å; E597-Y601 PolarHBondContact O-N 2.94Å; L598-Y601 PolarHBondContact O-N 3.33Å; R599-Y601 VanDerWaalsContact C-N 3.33Å; R599-Y601 PolarHBondContact O-N 2.81Å; Y601-R604 PolarHBondContact OH-NH2 3.16Å; Y601-R604 VanDerWaalsContact OH-NH2 3.17Å; Y601-A616 HydrophobicContact CD1-CB 4.34Å; Y601-A616 HydrophobicContact CE1-CB 4.09Å; Y601-A616 WeakPolarHBondContact CE1-O 3.48Å; Y601-Q619 HydrophobicContact CE1-CB 4.33Å; Y601-Q619 WeakPolarHBondContact OH-CB 3.32Å; Y601-Q619 PolarHBondContact OH-OE1 3.45Å; Y601-F620 HydrophobicContact CD1-CB 4.09Å; Y601-F620 HydrophobicContact CD1-CD2 4.3Å; Y601-F620 HydrophobicContact CD2-CD2 4.08Å; Y601-F620 HydrophobicContact CE1-CB 4.26Å; Y601-F620 HydrophobicContact CG-CB 4.44Å; Y601-F620 AromaticContact CG-CD2 3.81Å; Y601-F620 HydrophobicContact CG-CD2 3.81Å
602L92.1Very high90.2Very high31 Ų3186.7 Ų86.716%0.16242%0.415CS..Hα-helixtrans-79.8-15.3-179.8-66.2174.6000114.1L598 R599 Q600 R604 V605 A616 L617L598-L602 HydrophobicContact CD1-CD1 4.16Å; L598-L602 HydrophobicContact CD1-CG 4.26Å; L598-L602 HydrophobicContact CG-CD1 4.14Å; L598-L602 WeakPolarHBondContact O-CG 3.41Å; L598-L602 PolarHBondContact O-N 3.05Å; R599-L602 PolarHBondContact O-N 2.9Å; Q600-L602 VanDerWaalsContact C-N 3.3Å; Q600-L602 PolarHBondContact O-N 3.13Å; L602-R604 PolarHBondContact O-N 3.26Å; L602-V605 HydrophobicContact CD2-CG2 4.42Å; L602-V605 WeakPolarHBondContact O-CB 3.42Å; L602-V605 PolarHBondContact O-N 3.47Å; L602-A616 HydrophobicContact CD2-CB 3.69Å; L602-L617 HydrophobicContact CD1-CD2 4Å; L602-L617 HydrophobicContact CD2-CD2 4.26Å
603L87.5Confident90.1Very high148 Ų14881.6 Ų81.678%0.77539%0.387SS*.THydrogen-bonded Turntrans-56.6-27.4-179-76.4176.7000114.4R599 Q600R599-L603 PolarHBondContact O-N 3.1Å; Q600-L603 WeakPolarHBondContact O-CB 3.41Å; Q600-L603 PolarHBondContact O-N 3.47Å
604R84.7Confident89.9Confident145 Ų14580.7 Ų80.755%0.54738%0.379SS..THydrogen-bonded Turntrans-87-6.6179.266.1-175.5178.8175.34.3113.8Y601 L602Y601-R604 PolarHBondContact OH-NH2 3.16Å; Y601-R604 VanDerWaalsContact OH-NH2 3.17Å; L602-R604 PolarHBondContact O-N 3.26Å
605V82.9Confident89.7Confident16 Ų1682 Ų8210%0.09739%0.385CS..SBendtrans-100.3127.3-173.3-171.40000108.9L602 E607 Q612 Q613 A616L602-V605 HydrophobicContact CD2-CG2 4.42Å; L602-V605 WeakPolarHBondContact O-CB 3.42Å; L602-V605 PolarHBondContact O-N 3.47Å; V605-E607 PolarHBondContact O-N 3.17Å; V605-Q612 HydrophobicContact CG1-CB 3.69Å; V605-Q613 HydrophobicContact CG1-CG 4.03Å; V605-Q613 PolarHBondContact O-NE2 3.47Å; V605-A616 HydrophobicContact CG2-CB 3.73Å
606P83.7Confident89.5Confident54 Ų5476.6 Ų76.635%0.35137%0.366SS..  trans-56.5131.7176.8-22.132.5000111.3D608 D609 Q613P606-D608 WeakPolarHBondContact CB-OD1 3.48Å; P606-D608 PolarHBondContact O-N 3.33Å; P606-D609 HydrophobicContact CB-CB 4.05Å; P606-D609 PolarHBondContact O-N 2.83Å; P606-Q613 PolarHBondContact O-NE2 3.49Å
607E85.3Confident89.6Confident180 Ų18072.6 Ų72.684%0.84134%0.344SS*.THydrogen-bonded Turntrans-69.7-24-178-68.4-175.3-175.900112.8V605V605-E607 PolarHBondContact O-N 3.17Å
608D85Confident89.7Confident154 Ų15469.5 Ų69.582%0.82433%0.33SS*.THydrogen-bonded Turntrans-86.3-11.2-179.257.1-42.1000114P606P606-D608 WeakPolarHBondContact CB-OD1 3.48Å; P606-D608 PolarHBondContact O-N 3.33Å
609D87.2Confident89.5Confident53 Ų5371.3 Ų71.328%0.28334%0.338SS..  trans-98.195.8179.4-167.8-36.6000111.5P606 E611 Q612 Q613P606-D609 HydrophobicContact CB-CB 4.05Å; P606-D609 PolarHBondContact O-N 2.83Å; D609-E611 VanDerWaalsContact C-N 3.29Å; D609-E611 PolarHBondContact O-N 3.01Å; D609-E611 PolarHBondContact OD1-N 3.47Å; D609-E611 VanDerWaalsContact OD1-N 3.13Å; D609-Q612 HydrophobicContact CB-CB 4.21Å; D609-Q612 HydrophobicContact CB-CG 4.42Å; D609-Q612 PolarHBondContact O-N 3.46Å; D609-Q612 PolarHBondContact OD1-N 2.97Å; D609-Q612 WeakPolarHBondContact OD2-CG 3.44Å; D609-Q612 PolarHBondContact OD2-NE2 3.42Å; D609-Q613 WeakPolarHBondContact O-CB 3.47Å; D609-Q613 WeakPolarHBondContact O-CG 3.34Å; D609-Q613 PolarHBondContact O-N 2.99Å; D609-Q613 VanDerWaalsContact O-N 3.08Å
610E87.8Confident89.7Confident63 Ų6365.7 Ų65.729%0.29432%0.317SS..Hα-helixtrans-58.6-38.1179.9-179.3177.774.900112.5Q613 L614 Q664 R734 L738E610-Q613 PolarHBondContact O-N 3.32Å; E610-L614 HydrophobicContact CG-CD1 3.96Å; E610-L614 WeakPolarHBondContact O-CB 3.16Å; E610-L614 VanDerWaalsContact O-CD1 3.29Å; E610-L614 WeakPolarHBondContact O-CD1 3.4Å; E610-L614 PolarHBondContact O-N 2.9Å; E610-Q664 VanDerWaalsContact OE2-CD 3.3Å; E610-Q664 PolarHBondContact OE2-NE2 2.69Å; E610-Q664 PolarHBondContact OE2-OE1 3.11Å; E610-R734 IonicContact OE1-NH1 3.53Å; E610-R734 IonicContact OE2-CZ 3.08Å; E610-R734 IonicContact OE2-NH1 3.14Å; E610-R734 PolarHBondContact OE2-NH1 3.43Å; E610-L738 HydrophobicContact CG-CD2 4.23Å; E610-L738 WeakPolarHBondContact OE2-CD2 3.44Å
611E87.2Confident90.1Very high148 Ų14860.1 Ų60.169%0.69229%0.291SS*.Hα-helixtrans-69.1-45.8-175.8-173.8174.8165.900110.9D609 L614 E615D609-E611 VanDerWaalsContact C-N 3.29Å; D609-E611 PolarHBondContact O-N 3.01Å; D609-E611 PolarHBondContact OD1-N 3.47Å; D609-E611 VanDerWaalsContact OD1-N 3.13Å; E611-L614 PolarHBondContact O-N 2.84Å; E611-E615 WeakPolarHBondContact O-CB 3.42Å; E611-E615 PolarHBondContact O-N 3.5Å
612Q86.8Confident90.4Very high95 Ų9558.7 Ų58.744%0.44429%0.286SS..Hα-helixtrans-67.2-37.9176.6-69.1-171.15900112.5V605 D609 E615 A616V605-Q612 HydrophobicContact CG1-CB 3.69Å; D609-Q612 HydrophobicContact CB-CB 4.21Å; D609-Q612 HydrophobicContact CB-CG 4.42Å; D609-Q612 PolarHBondContact O-N 3.46Å; D609-Q612 PolarHBondContact OD1-N 2.97Å; D609-Q612 WeakPolarHBondContact OD2-CG 3.44Å; D609-Q612 PolarHBondContact OD2-NE2 3.42Å; Q612-E615 PolarHBondContact O-N 2.86Å; Q612-A616 VanDerWaalsContact O-CB 3.31Å; Q612-A616 WeakPolarHBondContact O-CB 3.21Å; Q612-A616 PolarHBondContact O-N 3.46Å
613Q91.4Very high90.6Very high19 Ų1957.4 Ų57.49%0.08928%0.28CS..Hα-helixtrans-60.6-46.8173.6-70.3-72.5-2600110.7V605 P606 D609 E610 E615 A616 L617V605-Q613 HydrophobicContact CG1-CG 4.03Å; V605-Q613 PolarHBondContact O-NE2 3.47Å; P606-Q613 PolarHBondContact O-NE2 3.49Å; D609-Q613 WeakPolarHBondContact O-CB 3.47Å; D609-Q613 WeakPolarHBondContact O-CG 3.34Å; D609-Q613 PolarHBondContact O-N 2.99Å; D609-Q613 VanDerWaalsContact O-N 3.08Å; E610-Q613 PolarHBondContact O-N 3.32Å; Q613-E615 PolarHBondContact O-N 3.33Å; Q613-A616 PolarHBondContact O-N 2.94Å; Q613-L617 WeakPolarHBondContact O-CG 3.45Å; Q613-L617 PolarHBondContact O-N 2.84Å
614L93.5Very high91.1Very high5 Ų550.6 Ų50.63%0.02624%0.244CC..Hα-helixtrans-60.9-44.5177.4-100.960.5000112.2E610 E611 R618 Q660 L738 T741 T743E610-L614 HydrophobicContact CG-CD1 3.96Å; E610-L614 WeakPolarHBondContact O-CB 3.16Å; E610-L614 VanDerWaalsContact O-CD1 3.29Å; E610-L614 WeakPolarHBondContact O-CD1 3.4Å; E610-L614 PolarHBondContact O-N 2.9Å; E611-L614 PolarHBondContact O-N 2.84Å; L614-R618 VanDerWaalsContact C-NH1 3.33Å; L614-R618 VanDerWaalsContact CB-NH1 3.34Å; L614-R618 WeakPolarHBondContact O-CD 3.27Å; L614-R618 WeakPolarHBondContact O-CG 3.39Å; L614-R618 PolarHBondContact O-N 3.47Å; L614-R618 PolarHBondContact O-NH1 3.02Å; L614-Q660 VanDerWaalsContact CD1-NE2 3.3Å; L614-L738 HydrophobicContact CD1-CB 4.32Å; L614-L738 HydrophobicContact CD1-CD2 3.55Å; L614-L738 HydrophobicContact CD1-CG 4.39Å; L614-L738 HydrophobicContact CD2-CD2 4.45Å; L614-T741 HydrophobicContact CD2-CG2 3.97Å; L614-T743 HydrophobicContact CB-CG2 4.01Å
615E91.9Very high91.7Very high32 Ų3244.3 Ų44.315%0.1522%0.221CC..Hα-helixtrans-63-44.5177.7-179.859-161.100110.9E611 Q612 Q613 L617 R618 Q619 T743 S745E611-E615 WeakPolarHBondContact O-CB 3.42Å; E611-E615 PolarHBondContact O-N 3.5Å; Q612-E615 PolarHBondContact O-N 2.86Å; Q613-E615 PolarHBondContact O-N 3.33Å; E615-L617 PolarHBondContact O-N 3.39Å; E615-R618 PolarHBondContact O-N 3.13Å; E615-R618 VanDerWaalsContact O-N 3.17Å; E615-Q619 HydrophobicContact CG-CG 4.44Å; E615-Q619 VanDerWaalsContact O-CG 3.3Å; E615-Q619 WeakPolarHBondContact O-CG 3.24Å; E615-Q619 PolarHBondContact O-N 3.03Å; E615-Q619 PolarHBondContact OE1-NE2 3.07Å; E615-T743 VanDerWaalsContact OE2-CB 3.29Å; E615-T743 WeakPolarHBondContact OE2-CB 3.41Å; E615-T743 PolarHBondContact OE2-OG1 2.96Å; E615-S745 VanDerWaalsContact OE1-CB 3.29Å; E615-S745 WeakPolarHBondContact OE1-CB 3.06Å; E615-S745 PolarHBondContact OE1-OG 2.97Å; E615-S745 PolarHBondContact OE2-N 3.34Å; E615-S745 VanDerWaalsContact OE2-N 3.14Å
616A92.8Very high92.4Very high4 Ų443.5 Ų43.53%0.03322%0.216CC..Hα-helixtrans-63-41.3179.100000113.1Y601 L602 V605 Q612 Q613 R618 Q619 F620Y601-A616 HydrophobicContact CD1-CB 4.34Å; Y601-A616 HydrophobicContact CE1-CB 4.09Å; Y601-A616 WeakPolarHBondContact CE1-O 3.48Å; L602-A616 HydrophobicContact CD2-CB 3.69Å; V605-A616 HydrophobicContact CG2-CB 3.73Å; Q612-A616 VanDerWaalsContact O-CB 3.31Å; Q612-A616 WeakPolarHBondContact O-CB 3.21Å; Q612-A616 PolarHBondContact O-N 3.46Å; Q613-A616 PolarHBondContact O-N 2.94Å; A616-R618 VanDerWaalsContact C-N 3.3Å; A616-R618 PolarHBondContact O-N 3.17Å; A616-Q619 PolarHBondContact O-N 3.02Å; A616-F620 WeakPolarHBondContact O-CB 3.41Å; A616-F620 PolarHBondContact O-N 2.94Å
617L96.8Very high93Very high2 Ų241.9 Ų41.91%0.0120%0.203CC..Hα-helixtrans-59.4-41.3174.1-67.7178.6000111.8L598 L602 Q613 E615 K621 A656 V657 L748L598-L617 HydrophobicContact CD1-CD2 3.89Å; L598-L617 HydrophobicContact CD2-CD2 4.39Å; L602-L617 HydrophobicContact CD1-CD2 4Å; L602-L617 HydrophobicContact CD2-CD2 4.26Å; Q613-L617 WeakPolarHBondContact O-CG 3.45Å; Q613-L617 PolarHBondContact O-N 2.84Å; E615-L617 PolarHBondContact O-N 3.39Å; L617-K621 PolarHBondContact O-N 3.47Å; L617-A656 HydrophobicContact CD2-CB 3.9Å; L617-V657 HydrophobicContact CD1-CG2 3.98Å; L617-L748 HydrophobicContact CB-CD1 4.17Å; L617-L748 HydrophobicContact CB-CD2 4.23Å; L617-L748 HydrophobicContact CD1-CD2 4.23Å
618R96.7Very high93.6Very high0 Ų033.3 Ų33.30%016%0.163CC..Hα-helixtrans-68-45.6178.3-73.1159.9-179.365.16.2111.2L614 E615 A616 F620 K621 Q622 L738 T741 T743 G746 L748L614-R618 VanDerWaalsContact C-NH1 3.33Å; L614-R618 VanDerWaalsContact CB-NH1 3.34Å; L614-R618 WeakPolarHBondContact O-CD 3.27Å; L614-R618 WeakPolarHBondContact O-CG 3.39Å; L614-R618 PolarHBondContact O-N 3.47Å; L614-R618 PolarHBondContact O-NH1 3.02Å; E615-R618 PolarHBondContact O-N 3.13Å; E615-R618 VanDerWaalsContact O-N 3.17Å; A616-R618 VanDerWaalsContact C-N 3.3Å; A616-R618 PolarHBondContact O-N 3.17Å; R618-F620 VanDerWaalsContact C-N 3.34Å; R618-F620 PolarHBondContact O-N 2.96Å; R618-K621 PolarHBondContact O-N 3.15Å; R618-Q622 WeakPolarHBondContact O-CG 3.22Å; R618-Q622 PolarHBondContact O-N 2.93Å; R618-L738 PolarHBondContact NH2-O 3.19Å; R618-T741 PolarHBondContact NE-O 3.22Å; R618-T741 PolarHBondContact NH2-O 3.02Å; R618-T743 WeakPolarHBondContact CD-OG1 3.46Å; R618-G746 VanDerWaalsContact CD-O 3.24Å; R618-G746 WeakPolarHBondContact CD-O 3.2Å; R618-G746 PolarHBondContact NE-O 2.68Å; R618-L748 HydrophobicContact CG-CB 4.25Å; R618-L748 HydrophobicContact CG-CD1 4.39Å
619Q93.6Very high94.1Very high43 Ų4326 Ų2620%0.20112%0.124CC..Hα-helixtrans-58.5-46.9176.6-69.1178.50.600111.3L574 Y601 E615 A616 K621 Q622 A623L574-Q619 HydrophobicContact CD1-CB 4.37Å; L574-Q619 HydrophobicContact CD1-CG 4.31Å; L574-Q619 HydrophobicContact CD2-CG 3.74Å; Y601-Q619 HydrophobicContact CE1-CB 4.33Å; Y601-Q619 WeakPolarHBondContact OH-CB 3.32Å; Y601-Q619 PolarHBondContact OH-OE1 3.45Å; E615-Q619 HydrophobicContact CG-CG 4.44Å; E615-Q619 VanDerWaalsContact O-CG 3.3Å; E615-Q619 WeakPolarHBondContact O-CG 3.24Å; E615-Q619 PolarHBondContact O-N 3.03Å; E615-Q619 PolarHBondContact OE1-NE2 3.07Å; A616-Q619 PolarHBondContact O-N 3.02Å; Q619-K621 PolarHBondContact O-N 2.87Å; Q619-Q622 PolarHBondContact O-N 3.03Å; Q619-A623 PolarHBondContact O-N 2.82Å
620F96.7Very high94.6Very high4 Ų423.4 Ų23.42%0.01811%0.11CC..Hα-helixtrans-60.2-47.9177-175.5-88.6000111.8E597 L598 Y601 A616 R618 Q622 A623 Q624 L649 M653E597-F620 HydrophobicContact CB-CE2 3.99Å; E597-F620 HydrophobicContact CB-CZ 3.94Å; L598-F620 HydrophobicContact CB-CD1 4.47Å; L598-F620 HydrophobicContact CB-CE1 4.02Å; L598-F620 HydrophobicContact CB-CE2 4.33Å; L598-F620 HydrophobicContact CB-CZ 3.94Å; L598-F620 HydrophobicContact CD1-CB 4.04Å; L598-F620 HydrophobicContact CD1-CD1 3.72Å; L598-F620 HydrophobicContact CD1-CD2 4.15Å; L598-F620 HydrophobicContact CD1-CE1 4.13Å; L598-F620 HydrophobicContact CD1-CG 3.7Å; Y601-F620 HydrophobicContact CD1-CB 4.09Å; Y601-F620 HydrophobicContact CD1-CD2 4.3Å; Y601-F620 HydrophobicContact CD2-CD2 4.08Å; Y601-F620 HydrophobicContact CE1-CB 4.26Å; Y601-F620 HydrophobicContact CG-CB 4.44Å; Y601-F620 AromaticContact CG-CD2 3.81Å; Y601-F620 HydrophobicContact CG-CD2 3.81Å; A616-F620 WeakPolarHBondContact O-CB 3.41Å; A616-F620 PolarHBondContact O-N 2.94Å; R618-F620 VanDerWaalsContact C-N 3.34Å; R618-F620 PolarHBondContact O-N 2.96Å; F620-Q622 VanDerWaalsContact C-N 3.31Å; F620-Q622 PolarHBondContact O-N 2.86Å; F620-A623 PolarHBondContact O-N 3.49Å; F620-Q624 HydrophobicContact CD1-CG 3.85Å; F620-Q624 HydrophobicContact CE1-CG 3.49Å; F620-Q624 VanDerWaalsContact CE1-CG 3.49Å; F620-Q624 HydrophobicContact CE2-CG 4.32Å; F620-Q624 HydrophobicContact CG-CG 4.44Å; F620-Q624 HydrophobicContact CZ-CG 3.76Å; F620-Q624 WeakPolarHBondContact O-CG 3.3Å; F620-Q624 PolarHBondContact O-N 3.2Å; F620-L649 HydrophobicContact CD1-CD1 4.33Å; F620-L649 HydrophobicContact CE1-CD1 4.01Å; F620-M653 HydrophobicContact CD1-CE 3.33Å; F620-M653 HydrophobicContact CD1-SD 4.35Å; F620-M653 HydrophobicContact CE1-CE 3.54Å; F620-M653 HydrophobicContact CG-CE 4.48Å
621K97.9Very high94.9Very high19 Ų1920.4 Ų20.48%0.08310%0.096CC..Hα-helixtrans-54.1-49.3175.2178.3-170.3168.8173.30111L617 R618 Q619 A623 Q624 L625 M653 L748 Y749L617-K621 PolarHBondContact O-N 3.47Å; R618-K621 PolarHBondContact O-N 3.15Å; Q619-K621 PolarHBondContact O-N 2.87Å; K621-A623 PolarHBondContact O-N 2.89Å; K621-Q624 PolarHBondContact O-N 3.19Å; K621-L625 HydrophobicContact CG-CD1 4.19Å; K621-L625 HydrophobicContact CG-CG 4.3Å; K621-L625 WeakPolarHBondContact O-CG 3.2Å; K621-L625 PolarHBondContact O-N 2.98Å; K621-M653 HydrophobicContact CB-SD 4.43Å; K621-L748 HydrophobicContact CB-CD1 4.05Å; K621-L748 HydrophobicContact CD-CD1 4.09Å; K621-L748 WeakPolarHBondContact CD-O 3.46Å; K621-L748 WeakPolarHBondContact CE-O 3.41Å; K621-L748 PolarHBondContact NZ-O 2.84Å; K621-Y749 HydrophobicContact CD-CD2 3.99Å; K621-Y749 HydrophobicContact CD-CE2 3.52Å; K621-Y749 VanDerWaalsContact CE-CZ 3.41Å; K621-Y749 HydrophobicContact CG-CE2 4.2Å; K621-Y749 VanDerWaalsContact NZ-CE1 3.28Å
622Q97Very high95.3Very high18 Ų1814.6 Ų14.68%0.0847%0.07CC..Hα-helixtrans-63.6-40.3-177.4-65.7-54.9-32.600112.2Q568 Y572 L575 R618 Q619 F620 L625 L626Q568-Q622 PolarHBondContact NE2-O 2.83Å; Y572-Q622 HydrophobicContact CD2-CB 4.35Å; Y572-Q622 HydrophobicContact CD2-CG 3.8Å; Y572-Q622 HydrophobicContact CE2-CG 3.85Å; Y572-Q622 VanDerWaalsContact CE2-OE1 3.3Å; Y572-Q622 HydrophobicContact CG-CG 4.14Å; L575-Q622 HydrophobicContact CD1-CB 4.15Å; L575-Q622 HydrophobicContact CD2-CB 4.11Å; R618-Q622 WeakPolarHBondContact O-CG 3.22Å; R618-Q622 PolarHBondContact O-N 2.93Å; Q619-Q622 PolarHBondContact O-N 3.03Å; F620-Q622 VanDerWaalsContact C-N 3.31Å; F620-Q622 PolarHBondContact O-N 2.86Å; Q622-L625 PolarHBondContact O-N 3.31Å; Q622-L626 PolarHBondContact O-N 2.95Å
623A95.9Very high95.6Very high4 Ų412.4 Ų12.43%0.0336%0.061CC..Hα-helixtrans-62.1-45.3175.100000112L575 E578 Q619 F620 K621 L626 R627L575-A623 HydrophobicContact CD2-CB 3.96Å; E578-A623 HydrophobicContact CG-CB 4.23Å; Q619-A623 PolarHBondContact O-N 2.82Å; F620-A623 PolarHBondContact O-N 3.49Å; K621-A623 PolarHBondContact O-N 2.89Å; A623-L626 WeakPolarHBondContact O-CB 3.37Å; A623-L626 PolarHBondContact O-N 3.44Å; A623-R627 WeakPolarHBondContact O-CG 3.28Å; A623-R627 PolarHBondContact O-N 3.44Å
624Q97.6Very high95.7Very high5 Ų513.9 Ų13.92%0.0238%0.076CC..Hα-helixtrans-67.1-38.9178.2-62.8-54.5-35.100112.5T589 Y594 F620 K621 L626 R627 I628 L649T589-Q624 PolarHBondContact OG1-OE1 3.42Å; Y594-Q624 HydrophobicContact CD1-CG 4.4Å; Y594-Q624 HydrophobicContact CE1-CB 4.22Å; Y594-Q624 HydrophobicContact CE1-CG 4.1Å; F620-Q624 HydrophobicContact CD1-CG 3.85Å; F620-Q624 HydrophobicContact CE1-CG 3.49Å; F620-Q624 VanDerWaalsContact CE1-CG 3.49Å; F620-Q624 HydrophobicContact CE2-CG 4.32Å; F620-Q624 HydrophobicContact CG-CG 4.44Å; F620-Q624 HydrophobicContact CZ-CG 3.76Å; F620-Q624 WeakPolarHBondContact O-CG 3.3Å; F620-Q624 PolarHBondContact O-N 3.2Å; K621-Q624 PolarHBondContact O-N 3.19Å; Q624-L626 VanDerWaalsContact C-N 3.32Å; Q624-L626 PolarHBondContact O-N 3.46Å; Q624-R627 PolarHBondContact O-N 2.93Å; Q624-I628 WeakPolarHBondContact O-CD1 3.14Å; Q624-I628 WeakPolarHBondContact O-CG1 3.44Å; Q624-I628 PolarHBondContact O-N 3.11Å; Q624-L649 HydrophobicContact CB-CD1 3.74Å; Q624-L649 HydrophobicContact CB-CD2 3.79Å; Q624-L649 HydrophobicContact CB-CG 4.39Å; Q624-L649 HydrophobicContact CG-CD1 3.91Å
625L97.7Very high95.5Very high12 Ų1216.5 Ų16.56%0.06310%0.104CC..Hα-helixtrans-61.4-40.8173.2-71.9-175.5000111.9K621 Q622 A629 L646 L649 Y698K621-L625 HydrophobicContact CG-CD1 4.19Å; K621-L625 HydrophobicContact CG-CG 4.3Å; K621-L625 WeakPolarHBondContact O-CG 3.2Å; K621-L625 PolarHBondContact O-N 2.98Å; Q622-L625 PolarHBondContact O-N 3.31Å; L625-A629 VanDerWaalsContact O-CB 3.28Å; L625-A629 WeakPolarHBondContact O-CB 3.3Å; L625-A629 PolarHBondContact O-N 2.77Å; L625-L646 HydrophobicContact CD2-CD2 3.28Å; L625-L649 HydrophobicContact CD2-CD2 3.93Å; L625-L649 HydrophobicContact CG-CD2 4.26Å; L625-Y698 HydrophobicContact CD2-CD1 4.38Å
626L97.5Very high95.5Very high0 Ų018.9 Ų18.90%012%0.121CC..Hα-helixtrans-61.8-47.9175.3173.662.3000111.1I565 L569 L575 E578 L585 Q622 A623 Q624 I628 A629 A630I565-L626 HydrophobicContact CG2-CD1 3.61Å; L569-L626 HydrophobicContact CD2-CD1 4.3Å; L569-L626 HydrophobicContact CD2-CD2 3.8Å; L575-L626 HydrophobicContact CB-CD2 3.9Å; L575-L626 HydrophobicContact CD1-CB 4.47Å; L575-L626 HydrophobicContact CD1-CD2 4.32Å; E578-L626 HydrophobicContact CB-CD2 3.93Å; E578-L626 HydrophobicContact CG-CD2 4.23Å; L585-L626 HydrophobicContact CD1-CD2 4.41Å; L585-L626 HydrophobicContact CD1-CG 4.24Å; Q622-L626 PolarHBondContact O-N 2.95Å; A623-L626 WeakPolarHBondContact O-CB 3.37Å; A623-L626 PolarHBondContact O-N 3.44Å; Q624-L626 VanDerWaalsContact C-N 3.32Å; Q624-L626 PolarHBondContact O-N 3.46Å; L626-I628 PolarHBondContact O-N 3.28Å; L626-A629 PolarHBondContact O-N 3.45Å; L626-A630 WeakPolarHBondContact O-CB 3.15Å; L626-A630 PolarHBondContact O-N 3.15Å
627R96.4Very high95.4Very high19 Ų1919.3 Ų19.37%0.07212%0.123CC..Hα-helixtrans-62.2-42.7179.4-69.7172.866.4-174-3.6112.2T584 Q587 T589 A623 Q624 A631T584-R627 PolarHBondContact O-NE 3.48Å; T584-R627 PolarHBondContact O-NH2 2.98Å; Q587-R627 PolarHBondContact O-NH2 3.49Å; T589-R627 PolarHBondContact OG1-NH1 3.42Å; A623-R627 WeakPolarHBondContact O-CG 3.28Å; A623-R627 PolarHBondContact O-N 3.44Å; Q624-R627 PolarHBondContact O-N 2.93Å; R627-A631 VanDerWaalsContact O-CB 3.27Å; R627-A631 WeakPolarHBondContact O-CB 3.37Å; R627-A631 PolarHBondContact O-N 3.23Å
628I97.4Very high95.1Very high0 Ų023.2 Ų23.20%015%0.148CC..Hα-helixtrans-61.7-48.9175.5-65.3163000110.1P588 Q624 L626 A631 D632 L637 V642 H645 L646 L649 Y698P588-I628 HydrophobicContact CB-CG1 4.37Å; Q624-I628 WeakPolarHBondContact O-CD1 3.14Å; Q624-I628 WeakPolarHBondContact O-CG1 3.44Å; Q624-I628 PolarHBondContact O-N 3.11Å; L626-I628 PolarHBondContact O-N 3.28Å; I628-A631 PolarHBondContact O-N 3.25Å; I628-D632 WeakPolarHBondContact O-CB 3.39Å; I628-D632 PolarHBondContact O-N 2.69Å; I628-L637 HydrophobicContact CG2-CD2 4.1Å; I628-V642 HydrophobicContact CG2-CG1 4.08Å; I628-H645 HydrophobicContact CD1-CB 3.81Å; I628-H645 HydrophobicContact CG1-CB 3.97Å; I628-H645 HydrophobicContact CG2-CB 4.47Å; I628-L646 HydrophobicContact CD1-CD2 3.91Å; I628-L646 HydrophobicContact CD1-CG 4.43Å; I628-L646 HydrophobicContact CG2-CD2 4.48Å; I628-L649 HydrophobicContact CD1-CD2 4.34Å; I628-Y698 HydrophobicContact CB-CE1 4.4Å; I628-Y698 HydrophobicContact CG2-CE1 3.88Å
629A97Very high94.6Very high0 Ų025.5 Ų25.50%016%0.162CC..Hα-helixtrans-66-39.7-179.500000113M564 I565 L625 L626 D632 I633 Y698 L916M564-A629 HydrophobicContact CE-CB 3.69Å; I565-A629 HydrophobicContact CD1-CB 3.88Å; I565-A629 HydrophobicContact CG1-CB 3.94Å; L625-A629 VanDerWaalsContact O-CB 3.28Å; L625-A629 WeakPolarHBondContact O-CB 3.3Å; L625-A629 PolarHBondContact O-N 2.77Å; L626-A629 PolarHBondContact O-N 3.45Å; A629-D632 PolarHBondContact O-N 2.96Å; A629-I633 WeakPolarHBondContact O-CB 3.36Å; A629-I633 WeakPolarHBondContact O-CG1 3.49Å; A629-I633 PolarHBondContact O-N 3.24Å; A629-Y698 WeakPolarHBondContact CA-OH 3.47Å; A629-Y698 HydrophobicContact CB-CD1 4.5Å; A629-Y698 HydrophobicContact CB-CE1 3.76Å; A629-L916 HydrophobicContact CB-CD2 3.79Å
630A96.2Very high94.2Very high0 Ų027.4 Ų27.40%017%0.172CC..Hα-helixtrans-65.9-39.9177.100000111.5L558 L585 Y586 L626 A634L558-A630 HydrophobicContact CD1-CB 4.18Å; L558-A630 HydrophobicContact CD2-CB 3.84Å; L585-A630 HydrophobicContact CD1-CB 3.96Å; L585-A630 HydrophobicContact CG-CB 4.19Å; Y586-A630 HydrophobicContact CD1-CB 4.24Å; Y586-A630 HydrophobicContact CE1-CB 4.22Å; L626-A630 WeakPolarHBondContact O-CB 3.15Å; L626-A630 PolarHBondContact O-N 3.15Å; A630-A634 WeakPolarHBondContact O-CB 3.28Å; A630-A634 PolarHBondContact O-N 2.98Å
631A95.8Very high94Very high0 Ų032.1 Ų32.10%019%0.193CC..Hα-helixtrans-70.5-36.3176.600000113.2P588 R627 I628 G635 T636 L637P588-A631 VanDerWaalsContact CD-CB 3.48Å; P588-A631 HydrophobicContact CG-CB 3.34Å; R627-A631 VanDerWaalsContact O-CB 3.27Å; R627-A631 WeakPolarHBondContact O-CB 3.37Å; R627-A631 PolarHBondContact O-N 3.23Å; I628-A631 PolarHBondContact O-N 3.25Å; A631-G635 PolarHBondContact O-N 2.94Å; A631-T636 VanDerWaalsContact CA-OG1 3.24Å; A631-T636 WeakPolarHBondContact CA-OG1 3.34Å; A631-T636 VanDerWaalsContact CB-OG1 3.32Å; A631-T636 WeakPolarHBondContact CB-OG1 3.22Å; A631-T636 PolarHBondContact O-N 3.08Å; A631-T636 PolarHBondContact O-OG1 3.3Å; A631-L637 HydrophobicContact CB-CB 3.7Å; A631-L637 PolarHBondContact O-N 3.1Å; A631-L637 VanDerWaalsContact O-N 3.1Å
632D95.4Very high93.9Very high25 Ų2531.2 Ų31.213%0.13419%0.189CC..Hα-helixtrans-61.4-52.1172-171.16.5000110.2I628 A629 A634 G635 V642 Y698 L916I628-D632 WeakPolarHBondContact O-CB 3.39Å; I628-D632 PolarHBondContact O-N 2.69Å; A629-D632 PolarHBondContact O-N 2.96Å; D632-A634 VanDerWaalsContact C-N 3.34Å; D632-A634 PolarHBondContact O-N 2.69Å; D632-G635 PolarHBondContact O-N 3.15Å; D632-V642 HydrophobicContact CB-CG2 4.04Å; D632-V642 WeakPolarHBondContact OD2-CG2 3.35Å; D632-Y698 PolarHBondContact OD2-OH 2.91Å; D632-L916 HydrophobicContact CB-CD1 4.37Å; D632-L916 WeakPolarHBondContact OD2-CD1 3.43Å
633I93.2Very high93.8Very high50 Ų5030.4 Ų30.426%0.25619%0.185SC..Hα-helixtrans-60.5-38.9176.5-78.8-64.8000113.1L558 A561 I565 A629 G635 L916L558-I633 HydrophobicContact CD2-CG2 4.22Å; A561-I633 HydrophobicContact CB-CD1 4.18Å; A561-I633 HydrophobicContact CB-CG2 3.5Å; A561-I633 VanDerWaalsContact CB-CG2 3.5Å; I565-I633 HydrophobicContact CD1-CG1 4.27Å; A629-I633 WeakPolarHBondContact O-CB 3.36Å; A629-I633 WeakPolarHBondContact O-CG1 3.49Å; A629-I633 PolarHBondContact O-N 3.24Å; I633-G635 VanDerWaalsContact C-N 3.26Å; I633-G635 PolarHBondContact O-N 3.2Å; I633-L916 HydrophobicContact CD1-CB 4.45Å; I633-L916 HydrophobicContact CD1-CD1 3.88Å; I633-L916 HydrophobicContact CG1-CD1 3.99Å; I633-L916 HydrophobicContact CG1-CD2 4.2Å
634A91.8Very high93.9Very high49 Ų4931.8 Ų31.841%0.40519%0.191SC..THydrogen-bonded Turntrans-79.4-7.1178.600000113.4Y586 A630 D632 T636Y586-A634 HydrophobicContact CD1-CB 3.47Å; Y586-A634 VanDerWaalsContact CD1-CB 3.47Å; Y586-A634 HydrophobicContact CE1-CB 3.78Å; Y586-A634 HydrophobicContact CG-CB 4.39Å; A630-A634 WeakPolarHBondContact O-CB 3.28Å; A630-A634 PolarHBondContact O-N 2.98Å; D632-A634 VanDerWaalsContact C-N 3.34Å; D632-A634 PolarHBondContact O-N 2.69Å; A634-T636 HydrophobicContact CB-CG2 4.25Å; A634-T636 PolarHBondContact O-N 2.9Å
635G90.7Very high93.9Very high61 Ų6132.4 Ų32.463%0.62920%0.195SC*.THydrogen-bonded Turntrans68.616-175.500000114.3A631 D632 I633A631-G635 PolarHBondContact O-N 2.94Å; D632-G635 PolarHBondContact O-N 3.15Å; I633-G635 VanDerWaalsContact C-N 3.26Å; I633-G635 PolarHBondContact O-N 3.2Å
636T90.7Very high93.9Very high81 Ų8132 Ų3250%0.49719%0.192SC..SBendtrans-83.6-23.6176560000112.2Y586 A631 A634Y586-T636 WeakPolarHBondContact O-CB 3.3Å; Y586-T636 PolarHBondContact O-OG1 3.35Å; A631-T636 VanDerWaalsContact CA-OG1 3.24Å; A631-T636 WeakPolarHBondContact CA-OG1 3.34Å; A631-T636 VanDerWaalsContact CB-OG1 3.32Å; A631-T636 WeakPolarHBondContact CB-OG1 3.22Å; A631-T636 PolarHBondContact O-N 3.08Å; A631-T636 PolarHBondContact O-OG1 3.3Å; A634-T636 HydrophobicContact CB-CG2 4.25Å; A634-T636 PolarHBondContact O-N 2.9Å
637L91.6Very high93.9Very high13 Ų1332 Ų327%0.06819%0.192CC..SBendtrans-108.9120.5167.7-179.367.9000109P588 I628 A631 V639 K641 V642 H645P588-L637 HydrophobicContact CG-CB 4.36Å; P588-L637 HydrophobicContact CG-CD2 4.2Å; I628-L637 HydrophobicContact CG2-CD2 4.1Å; A631-L637 HydrophobicContact CB-CB 3.7Å; A631-L637 PolarHBondContact O-N 3.1Å; A631-L637 VanDerWaalsContact O-N 3.1Å; L637-V639 PolarHBondContact O-N 3.22Å; L637-K641 HydrophobicContact CD1-CB 3.68Å; L637-K641 HydrophobicContact CG-CB 4.27Å; L637-V642 HydrophobicContact CD2-CG2 3.89Å; L637-V642 HydrophobicContact CG-CG2 4.49Å; L637-H645 WeakPolarHBondContact CD1-NE2 3.48Å
638P90Very high94Very high84 Ų8435.3 Ų35.355%0.54521%0.205SC..  trans-58.9131.1171.7-23.433.9000110.4M640 K641P638-M640 PolarHBondContact O-N 3.42Å; P638-K641 WeakPolarHBondContact O-CA 3.22Å; P638-K641 WeakPolarHBondContact O-CB 3.43Å; P638-K641 PolarHBondContact O-N 2.86Å
639V85.7Confident94Very high48 Ų4835.3 Ų35.329%0.29121%0.205SC..G310 helixtrans-51.2-33.6-179.461.50000113.1L637 K641 V642 D909 H912L637-V639 PolarHBondContact O-N 3.22Å; V639-K641 PolarHBondContact O-N 2.78Å; V639-V642 HydrophobicContact CG2-CG2 4.47Å; V639-V642 WeakPolarHBondContact O-CB 3.47Å; V639-V642 WeakPolarHBondContact O-CG2 3.45Å; V639-V642 PolarHBondContact O-N 3.26Å; V639-D909 HydrophobicContact CB-CB 4.33Å; V639-D909 HydrophobicContact CG1-CB 3.84Å; V639-D909 WeakPolarHBondContact CG1-OD2 3.49Å; V639-D909 HydrophobicContact CG2-CB 3.58Å; V639-H912 HydrophobicContact CG2-CB 4.21Å
640M85.7Confident94.1Very high84 Ų8435.3 Ų35.341%0.41421%0.205SC..G310 helixtrans-50.6-28.2171.8-75.9-71.2-54.700114.9P638 T905 R908 D909P638-M640 PolarHBondContact O-N 3.42Å; M640-T905 HydrophobicContact CE-CG2 3.5Å; M640-T905 WeakPolarHBondContact SD-CB 3.03Å; M640-T905 HydrophobicContact SD-CG2 3.7Å; M640-R908 PolarHBondContact O-NH2 2.92Å; M640-D909 WeakPolarHBondContact CG-OD2 3.23Å
641K93.2Very high94.2Very high103 Ų10336.7 Ų36.745%0.44821%0.211SC..G310 helixtrans-98-7.2-177.9-68.2-61.6-173.8178.70113.9L637 P638 V639 S643 D644 H645L637-K641 HydrophobicContact CD1-CB 3.68Å; L637-K641 HydrophobicContact CG-CB 4.27Å; P638-K641 WeakPolarHBondContact O-CA 3.22Å; P638-K641 WeakPolarHBondContact O-CB 3.43Å; P638-K641 PolarHBondContact O-N 2.86Å; V639-K641 PolarHBondContact O-N 2.78Å; K641-S643 PolarHBondContact O-N 2.74Å; K641-D644 HydrophobicContact CD-CB 4.42Å; K641-D644 WeakPolarHBondContact CD-OD2 3.22Å; K641-D644 IonicContact NZ-OD2 2.72Å; K641-D644 PolarHBondContact NZ-OD2 3.3Å; K641-D644 WeakPolarHBondContact O-CB 3.45Å; K641-D644 PolarHBondContact O-N 2.68Å; K641-D644 VanDerWaalsContact O-N 3.13Å; K641-H645 PolarHBondContact O-CD2 3Å; K641-H645 PolarHBondContact O-N 3.02Å
642V95.7Very high94.3Very high0 Ų036.8 Ų36.80%021%0.212CC..Hα-helixtrans-59.5-49.9179.8171.10000110.9I628 D632 L637 V639 D644 H645 L646 Y698I628-V642 HydrophobicContact CG2-CG1 4.08Å; D632-V642 HydrophobicContact CB-CG2 4.04Å; D632-V642 WeakPolarHBondContact OD2-CG2 3.35Å; L637-V642 HydrophobicContact CD2-CG2 3.89Å; L637-V642 HydrophobicContact CG-CG2 4.49Å; V639-V642 HydrophobicContact CG2-CG2 4.47Å; V639-V642 WeakPolarHBondContact O-CB 3.47Å; V639-V642 WeakPolarHBondContact O-CG2 3.45Å; V639-V642 PolarHBondContact O-N 3.26Å; V642-D644 VanDerWaalsContact C-N 3.27Å; V642-D644 PolarHBondContact O-N 2.68Å; V642-H645 PolarHBondContact O-N 3Å; V642-L646 HydrophobicContact CG1-CD1 3.76Å; V642-L646 HydrophobicContact CG1-CG 4.34Å; V642-L646 VanDerWaalsContact O-CG 3.29Å; V642-L646 WeakPolarHBondContact O-CG 3.48Å; V642-L646 PolarHBondContact O-N 2.64Å; V642-Y698 HydrophobicContact CG1-CE1 4.35Å; V642-Y698 HydrophobicContact CG1-CE2 4.07Å
643S95.8Very high94.5Very high0 Ų035.6 Ų35.60%021%0.206CC..Hα-helixtrans-62.1-31.9176.1-70.80000113.5K641 T647 W694 L696 H912K641-S643 PolarHBondContact O-N 2.74Å; S643-T647 VanDerWaalsContact O-CB 3.27Å; S643-T647 WeakPolarHBondContact O-CB 3.38Å; S643-T647 PolarHBondContact O-N 2.88Å; S643-T647 PolarHBondContact O-OG1 2.89Å; S643-W694 WeakPolarHBondContact CB-O 3.34Å; S643-L696 WeakPolarHBondContact CA-O 3.29Å; S643-L696 WeakPolarHBondContact CB-O 3.28Å; S643-L696 PolarHBondContact OG-O 3.47Å; S643-H912 PolarHBondContact OG-CE1 3.33Å; S643-H912 VanDerWaalsContact OG-CE1 3.24Å; S643-H912 PolarHBondContact OG-NE2 3.45Å
644D96.1Very high94.7Very high33 Ų3333.2 Ų33.218%0.17619%0.194CC..Hα-helixtrans-63.4-51.1175-70.5-11.8000109.9K641 V642 L646 T647 W648K641-D644 HydrophobicContact CD-CB 4.42Å; K641-D644 WeakPolarHBondContact CD-OD2 3.22Å; K641-D644 IonicContact NZ-OD2 2.72Å; K641-D644 PolarHBondContact NZ-OD2 3.3Å; K641-D644 WeakPolarHBondContact O-CB 3.45Å; K641-D644 PolarHBondContact O-N 2.68Å; K641-D644 VanDerWaalsContact O-N 3.13Å; V642-D644 VanDerWaalsContact C-N 3.27Å; V642-D644 PolarHBondContact O-N 2.68Å; D644-L646 PolarHBondContact O-N 2.91Å; D644-T647 PolarHBondContact O-N 3.4Å; D644-W648 PolarHBondContact O-N 3.48Å
645H97.9Very high95Very high19 Ų1932.5 Ų32.59%0.08818%0.183CC..Hα-helixtrans-61.5-43.3178.5-83.3-91.9000112.5T589 Y594 I628 L637 K641 V642 T647 W648 L649T589-H645 PolarHBondContact O-CE1 3.41Å; T589-H645 PolarHBondContact O-ND1 3.45Å; Y594-H645 AromaticContact CE2-ND1 3.78Å; Y594-H645 AromaticContact CZ-ND1 3.76Å; Y594-H645 PolarHBondContact OH-ND1 3.27Å; I628-H645 HydrophobicContact CD1-CB 3.81Å; I628-H645 HydrophobicContact CG1-CB 3.97Å; I628-H645 HydrophobicContact CG2-CB 4.47Å; L637-H645 WeakPolarHBondContact CD1-NE2 3.48Å; K641-H645 PolarHBondContact O-CD2 3Å; K641-H645 PolarHBondContact O-N 3.02Å; V642-H645 PolarHBondContact O-N 3Å; H645-T647 VanDerWaalsContact C-N 3.29Å; H645-T647 PolarHBondContact O-N 2.93Å; H645-W648 PolarHBondContact O-N 3.33Å; H645-L649 VanDerWaalsContact O-CB 3.31Å; H645-L649 WeakPolarHBondContact O-CB 3.34Å; H645-L649 PolarHBondContact O-N 3.31Å
646L98Very high95.3Very high2 Ų230.4 Ų30.41%0.0116%0.159CC..Hα-helixtrans-63.4-36.1177-67.2171.7000112L625 I628 V642 D644 A650 L696 Y698L625-L646 HydrophobicContact CD2-CD2 3.28Å; I628-L646 HydrophobicContact CD1-CD2 3.91Å; I628-L646 HydrophobicContact CD1-CG 4.43Å; I628-L646 HydrophobicContact CG2-CD2 4.48Å; V642-L646 HydrophobicContact CG1-CD1 3.76Å; V642-L646 HydrophobicContact CG1-CG 4.34Å; V642-L646 VanDerWaalsContact O-CG 3.29Å; V642-L646 WeakPolarHBondContact O-CG 3.48Å; V642-L646 PolarHBondContact O-N 2.64Å; D644-L646 PolarHBondContact O-N 2.91Å; L646-A650 WeakPolarHBondContact O-CB 3.36Å; L646-A650 PolarHBondContact O-N 2.76Å; L646-L696 HydrophobicContact CB-CB 3.91Å; L646-L696 WeakPolarHBondContact CD1-O 3.32Å; L646-Y698 HydrophobicContact CD1-CD1 4.4Å; L646-Y698 HydrophobicContact CD1-CG 4.49Å; L646-Y698 HydrophobicContact CD2-CD1 4.1Å; L646-Y698 HydrophobicContact CD2-CE1 4.46Å
647T98.1Very high95.7Very high0 Ų026.5 Ų26.50%014%0.136CC..Hα-helixtrans-69.6-47.4176.8-58.10000111.5S643 D644 H645 L649 A650 E651 L691 W694S643-T647 VanDerWaalsContact O-CB 3.27Å; S643-T647 WeakPolarHBondContact O-CB 3.38Å; S643-T647 PolarHBondContact O-N 2.88Å; S643-T647 PolarHBondContact O-OG1 2.89Å; D644-T647 PolarHBondContact O-N 3.4Å; H645-T647 VanDerWaalsContact C-N 3.29Å; H645-T647 PolarHBondContact O-N 2.93Å; T647-L649 VanDerWaalsContact C-N 3.32Å; T647-L649 PolarHBondContact O-N 3.45Å; T647-A650 PolarHBondContact O-N 3.24Å; T647-E651 WeakPolarHBondContact O-CG 3.38Å; T647-E651 PolarHBondContact O-N 3.41Å; T647-L691 HydrophobicContact CG2-CD1 4.18Å; T647-W694 HydrophobicContact CG2-CD2 3.75Å; T647-W694 HydrophobicContact CG2-CE3 3.55Å; T647-W694 HydrophobicContact CG2-CG 4.35Å; T647-W694 HydrophobicContact CG2-CH2 4.06Å; T647-W694 HydrophobicContact CG2-CZ2 4.28Å; T647-W694 HydrophobicContact CG2-CZ3 3.7Å
648W98.1Very high96Very high90 Ų9026 Ų2634%0.34113%0.133SC..Hα-helixtrans-60.6-40.4174.7-78.8114000112.6T591 Y594 D644 H645 E651 A652 W694T591-W648 HydrophobicContact CG2-CG 4.47Å; Y594-W648 HydrophobicContact CD2-CB 3.67Å; Y594-W648 HydrophobicContact CE2-CB 3.93Å; D644-W648 PolarHBondContact O-N 3.48Å; H645-W648 PolarHBondContact O-N 3.33Å; W648-E651 PolarHBondContact O-N 3.17Å; W648-A652 PolarHBondContact O-N 3.02Å; W648-W694 AromaticContact CD1-CZ3 3.72Å; W648-W694 HydrophobicContact CD2-CH2 4.03Å; W648-W694 HydrophobicContact CD2-CZ3 4.34Å; W648-W694 AromaticContact CE2-CH2 3.55Å; W648-W694 AromaticContact CE2-CZ3 3.9Å; W648-W694 HydrophobicContact CG-CH2 4.4Å; W648-W694 HydrophobicContact CG-CZ3 4.25Å; W648-W694 HydrophobicContact CH2-CH2 4.44Å; W648-W694 AromaticContact CZ2-CH2 3.8Å; W648-W694 HydrophobicContact CZ2-CH2 3.8Å; W648-W694 AromaticContact NE1-CH2 3.63Å; W648-W694 AromaticContact NE1-CZ3 3.47Å
649L98.3Very high96.2Very high0 Ų026.1 Ų26.10%013%0.126CC..Hα-helixtrans-59.4-49.3173.517561.8000111.2Y594 F620 Q624 L625 I628 H645 T647 E651 A652 M653Y594-L649 HydrophobicContact CD1-CB 4.27Å; Y594-L649 HydrophobicContact CD1-CD1 3.97Å; Y594-L649 HydrophobicContact CE1-CB 4.11Å; Y594-L649 HydrophobicContact CE1-CD1 4.12Å; F620-L649 HydrophobicContact CD1-CD1 4.33Å; F620-L649 HydrophobicContact CE1-CD1 4.01Å; Q624-L649 HydrophobicContact CB-CD1 3.74Å; Q624-L649 HydrophobicContact CB-CD2 3.79Å; Q624-L649 HydrophobicContact CB-CG 4.39Å; Q624-L649 HydrophobicContact CG-CD1 3.91Å; L625-L649 HydrophobicContact CD2-CD2 3.93Å; L625-L649 HydrophobicContact CG-CD2 4.26Å; I628-L649 HydrophobicContact CD1-CD2 4.34Å; H645-L649 VanDerWaalsContact O-CB 3.31Å; H645-L649 WeakPolarHBondContact O-CB 3.34Å; H645-L649 PolarHBondContact O-N 3.31Å; T647-L649 VanDerWaalsContact C-N 3.32Å; T647-L649 PolarHBondContact O-N 3.45Å; L649-E651 VanDerWaalsContact C-N 3.33Å; L649-E651 PolarHBondContact O-N 3.48Å; L649-A652 PolarHBondContact O-N 2.98Å; L649-M653 HydrophobicContact CD1-CE 3.84Å; L649-M653 HydrophobicContact CD1-CG 4.46Å; L649-M653 WeakPolarHBondContact O-CG 3.31Å; L649-M653 PolarHBondContact O-N 3.3Å
650A98.4Very high96.7Very high0 Ų024.8 Ų24.80%012%0.117CC..Hα-helixtrans-61.2-40.3179.300000112.1L646 T647 M653 I654 L691 L696 L702L646-A650 WeakPolarHBondContact O-CB 3.36Å; L646-A650 PolarHBondContact O-N 2.76Å; T647-A650 PolarHBondContact O-N 3.24Å; A650-M653 PolarHBondContact O-N 2.91Å; A650-I654 VanDerWaalsContact O-CG1 3.25Å; A650-I654 WeakPolarHBondContact O-CG1 3.42Å; A650-I654 PolarHBondContact O-N 3.18Å; A650-L691 HydrophobicContact CB-CD1 4.03Å; A650-L696 HydrophobicContact CB-CD1 3.52Å; A650-L702 HydrophobicContact CB-CD1 4.47Å; A650-L702 HydrophobicContact CB-CD2 3.96Å
651E98.4Very high97.2Very high28 Ų2820.8 Ų20.813%0.13110%0.097CC..Hα-helixtrans-63.9-42.4175.1-73.4-177.1-151.700112.9T647 W648 L649 M653 I654 D655 R791 V793T647-E651 WeakPolarHBondContact O-CG 3.38Å; T647-E651 PolarHBondContact O-N 3.41Å; W648-E651 PolarHBondContact O-N 3.17Å; L649-E651 VanDerWaalsContact C-N 3.33Å; L649-E651 PolarHBondContact O-N 3.48Å; E651-M653 VanDerWaalsContact C-N 3.3Å; E651-M653 PolarHBondContact O-N 3.08Å; E651-I654 PolarHBondContact O-N 2.65Å; E651-D655 PolarHBondContact O-N 3.31Å; E651-R791 IonicContact OE1-CZ 2.65Å; E651-R791 IonicContact OE1-NH1 2.72Å; E651-R791 PolarHBondContact OE1-NH1 3.45Å; E651-R791 IonicContact OE1-NH2 3.99Å; E651-R791 PolarHBondContact OE1-NH2 2.81Å; E651-V793 HydrophobicContact CG-CB 4.2Å; E651-V793 HydrophobicContact CG-CG1 4.34Å
652A98.3Very high97.4Very high2 Ų216.8 Ų16.82%0.0178%0.079CC..Hα-helixtrans-62.1-39.2174.400000111.7R595 L598 W648 L649 D655 A656R595-A652 HydrophobicContact CG-CB 3.82Å; L598-A652 HydrophobicContact CD2-CB 4.5Å; L598-A652 WeakPolarHBondContact CD2-O 3.48Å; W648-A652 PolarHBondContact O-N 3.02Å; L649-A652 PolarHBondContact O-N 2.98Å; A652-D655 PolarHBondContact O-N 3.03Å; A652-A656 PolarHBondContact O-N 3.37Å; A652-A656 VanDerWaalsContact O-N 3.14Å
653M98.2Very high97.4Very high0 Ų020 Ų200%010%0.099CC..Hα-helixtrans-64.8-41.9174.2-66.5-52.6104.500111.6L598 F620 K621 L649 A650 E651 A656 V657 L748 Y749L598-M653 HydrophobicContact CD1-CE 3.87Å; L598-M653 HydrophobicContact CD2-CE 3.42Å; L598-M653 VanDerWaalsContact CD2-CE 3.42Å; L598-M653 HydrophobicContact CD2-SD 4.36Å; L598-M653 HydrophobicContact CG-CE 4.14Å; F620-M653 HydrophobicContact CD1-CE 3.33Å; F620-M653 HydrophobicContact CD1-SD 4.35Å; F620-M653 HydrophobicContact CE1-CE 3.54Å; F620-M653 HydrophobicContact CG-CE 4.48Å; K621-M653 HydrophobicContact CB-SD 4.43Å; L649-M653 HydrophobicContact CD1-CE 3.84Å; L649-M653 HydrophobicContact CD1-CG 4.46Å; L649-M653 WeakPolarHBondContact O-CG 3.31Å; L649-M653 PolarHBondContact O-N 3.3Å; A650-M653 PolarHBondContact O-N 2.91Å; E651-M653 VanDerWaalsContact C-N 3.3Å; E651-M653 PolarHBondContact O-N 3.08Å; M653-A656 PolarHBondContact O-N 3.01Å; M653-V657 WeakPolarHBondContact O-CB 3.26Å; M653-V657 VanDerWaalsContact O-CG2 3.26Å; M653-V657 WeakPolarHBondContact O-CG2 3.43Å; M653-V657 PolarHBondContact O-N 3.42Å; M653-L748 HydrophobicContact CG-CD1 4.36Å; M653-L748 HydrophobicContact SD-CD1 4.1Å; M653-Y749 HydrophobicContact CB-CE2 4.44Å; M653-Y749 HydrophobicContact CG-CE2 4.12Å
654I98.5Very high97.3Very high1 Ų122.1 Ų22.11%0.00511%0.109CC..Hα-helixtrans-60.7-48175.7-67.8162.3000110.4A650 E651 A656 V657 V658 V685 L691 L702 L704 F739 V793A650-I654 VanDerWaalsContact O-CG1 3.25Å; A650-I654 WeakPolarHBondContact O-CG1 3.42Å; A650-I654 PolarHBondContact O-N 3.18Å; E651-I654 PolarHBondContact O-N 2.65Å; I654-A656 VanDerWaalsContact C-N 3.35Å; I654-A656 PolarHBondContact O-N 3.42Å; I654-V657 PolarHBondContact O-N 2.86Å; I654-V658 HydrophobicContact CG2-CG2 4.22Å; I654-V658 VanDerWaalsContact O-CG2 3.32Å; I654-V658 WeakPolarHBondContact O-CG2 3.47Å; I654-V658 PolarHBondContact O-N 3.27Å; I654-V685 HydrophobicContact CG2-CB 4.3Å; I654-V685 HydrophobicContact CG2-CG1 4.33Å; I654-V685 HydrophobicContact CG2-CG2 4.15Å; I654-L691 HydrophobicContact CD1-CD2 3.87Å; I654-L702 HydrophobicContact CD1-CD1 4.31Å; I654-L702 HydrophobicContact CG1-CD1 4.36Å; I654-L704 HydrophobicContact CD1-CD2 4.11Å; I654-F739 HydrophobicContact CB-CZ 4.46Å; I654-F739 HydrophobicContact CG1-CZ 3.82Å; I654-V793 HydrophobicContact CD1-CB 4.4Å; I654-V793 HydrophobicContact CD1-CG2 3.88Å
655D98Very high97.3Very high34 Ų3421 Ų2118%0.18210%0.103CC..Hα-helixtrans-54.5-48.6178.1-171.350.7000111.7R595 E651 A652 V658 Q659 Y794R595-D655 IonicContact CZ-OD2 3.41Å; R595-D655 IonicContact NE-OD2 3.2Å; R595-D655 PolarHBondContact NE-OD2 3.47Å; R595-D655 IonicContact NH2-OD1 3.17Å; R595-D655 IonicContact NH2-OD2 3Å; R595-D655 PolarHBondContact NH2-OD2 2.93Å; E651-D655 PolarHBondContact O-N 3.31Å; A652-D655 PolarHBondContact O-N 3.03Å; D655-V658 PolarHBondContact O-N 3.29Å; D655-Q659 WeakPolarHBondContact O-CB 3.06Å; D655-Q659 PolarHBondContact O-N 2.99Å; D655-Y794 WeakPolarHBondContact OD1-CE2 3.11Å
656A97.5Very high97.3Very high16 Ų1621.7 Ų21.713%0.13211%0.108CC..Hα-helixtrans-68.1-39.9179.200000113.4L598 L617 A652 M653 I654 Q659 Q660L598-A656 HydrophobicContact CD2-CB 3.45Å; L598-A656 VanDerWaalsContact CD2-CB 3.45Å; L598-A656 HydrophobicContact CG-CB 4.36Å; L617-A656 HydrophobicContact CD2-CB 3.9Å; A652-A656 PolarHBondContact O-N 3.37Å; A652-A656 VanDerWaalsContact O-N 3.14Å; M653-A656 PolarHBondContact O-N 3.01Å; I654-A656 VanDerWaalsContact C-N 3.35Å; I654-A656 PolarHBondContact O-N 3.42Å; A656-Q659 WeakPolarHBondContact O-CB 3.39Å; A656-Q659 PolarHBondContact O-N 2.96Å; A656-Q660 WeakPolarHBondContact O-CB 3.41Å; A656-Q660 PolarHBondContact O-N 3.39Å
657V97.9Very high97.1Very high0 Ų025.8 Ų25.80%014%0.142CC..Hα-helixtrans-65.7-42.4176.6170.10000111.1L617 M653 I654 Q659 Q660 A661 I735 L738 F739 L748L617-V657 HydrophobicContact CD1-CG2 3.98Å; M653-V657 WeakPolarHBondContact O-CB 3.26Å; M653-V657 VanDerWaalsContact O-CG2 3.26Å; M653-V657 WeakPolarHBondContact O-CG2 3.43Å; M653-V657 PolarHBondContact O-N 3.42Å; I654-V657 PolarHBondContact O-N 2.86Å; V657-Q659 VanDerWaalsContact C-N 3.34Å; V657-Q660 PolarHBondContact O-N 3.12Å; V657-A661 WeakPolarHBondContact O-CB 3.39Å; V657-A661 PolarHBondContact O-N 3.08Å; V657-I735 HydrophobicContact CG1-CB 4.35Å; V657-I735 HydrophobicContact CG1-CG1 4.39Å; V657-I735 HydrophobicContact CG1-CG2 3.96Å; V657-L738 HydrophobicContact CG1-CB 3.94Å; V657-L738 HydrophobicContact CG1-CD1 4.11Å; V657-F739 HydrophobicContact CB-CE1 4.36Å; V657-F739 HydrophobicContact CB-CE2 4.09Å; V657-F739 HydrophobicContact CB-CZ 3.9Å; V657-F739 HydrophobicContact CG1-CD2 3.95Å; V657-F739 HydrophobicContact CG1-CE2 3.69Å; V657-F739 HydrophobicContact CG1-CZ 4.02Å; V657-F739 HydrophobicContact CG2-CD1 4.26Å; V657-F739 HydrophobicContact CG2-CE1 3.82Å; V657-F739 HydrophobicContact CG2-CE2 4.36Å; V657-F739 HydrophobicContact CG2-CZ 3.88Å; V657-L748 HydrophobicContact CG2-CD2 3.46Å; V657-L748 VanDerWaalsContact CG2-CD2 3.46Å
658V98Very high96.9Very high1 Ų132 Ų321%0.00617%0.166CC..Hα-helixtrans-65.5-40.1175.3-177.80000110.7I654 D655 W662 F683 V685 I735 Y794I654-V658 HydrophobicContact CG2-CG2 4.22Å; I654-V658 VanDerWaalsContact O-CG2 3.32Å; I654-V658 WeakPolarHBondContact O-CG2 3.47Å; I654-V658 PolarHBondContact O-N 3.27Å; D655-V658 PolarHBondContact O-N 3.29Å; V658-W662 WeakPolarHBondContact O-CB 3.45Å; V658-W662 PolarHBondContact O-N 3.49Å; V658-F683 HydrophobicContact CG1-CD1 4.3Å; V658-F683 HydrophobicContact CG1-CE1 4.49Å; V658-V685 HydrophobicContact CG2-CG2 4Å; V658-I735 HydrophobicContact CB-CD1 4.37Å; V658-I735 HydrophobicContact CG1-CD1 4.26Å; V658-I735 HydrophobicContact CG2-CD1 3.73Å; V658-I735 HydrophobicContact CG2-CG1 4.29Å; V658-Y794 HydrophobicContact CB-CD1 4.43Å; V658-Y794 HydrophobicContact CB-CD2 4.25Å; V658-Y794 HydrophobicContact CB-CE1 4.11Å; V658-Y794 HydrophobicContact CB-CE2 3.88Å; V658-Y794 HydrophobicContact CB-CG 4.5Å; V658-Y794 HydrophobicContact CG1-CD1 4.12Å; V658-Y794 HydrophobicContact CG1-CE1 3.46Å; V658-Y794 VanDerWaalsContact CG1-CE1 3.46Å; V658-Y794 HydrophobicContact CG1-CE2 4Å; V658-Y794 WeakPolarHBondContact CG1-OH 3.31Å; V658-Y794 HydrophobicContact CG2-CD1 4.2Å; V658-Y794 HydrophobicContact CG2-CD2 4.3Å; V658-Y794 HydrophobicContact CG2-CE1 4.35Å; V658-Y794 HydrophobicContact CG2-CE2 4.42Å; V658-Y794 HydrophobicContact CG2-CG 4.18Å
659Q95.6Very high96.9Very high87 Ų8728.2 Ų28.241%0.40715%0.151SC..Hα-helixtrans-55.6-50.9173.1175.364.424.700112D655 A656 V657 W662 V663D655-Q659 WeakPolarHBondContact O-CB 3.06Å; D655-Q659 PolarHBondContact O-N 2.99Å; A656-Q659 WeakPolarHBondContact O-CB 3.39Å; A656-Q659 PolarHBondContact O-N 2.96Å; V657-Q659 VanDerWaalsContact C-N 3.34Å; Q659-W662 WeakPolarHBondContact O-CB 3.45Å; Q659-W662 PolarHBondContact O-N 3.25Å; Q659-V663 WeakPolarHBondContact O-CG2 3.39Å; Q659-V663 PolarHBondContact O-N 2.72Å
660Q95.2Very high96.8Very high21 Ų2128.5 Ų28.510%0.09815%0.154CC..Hα-helixtrans-64.3-48.2-178.8-172.9-179.5-2.900111.4L614 A656 V657 W662 V663 Q664 L738L614-Q660 VanDerWaalsContact CD1-NE2 3.3Å; A656-Q660 WeakPolarHBondContact O-CB 3.41Å; A656-Q660 PolarHBondContact O-N 3.39Å; V657-Q660 PolarHBondContact O-N 3.12Å; Q660-W662 VanDerWaalsContact C-N 3.27Å; Q660-W662 PolarHBondContact O-N 3.29Å; Q660-V663 PolarHBondContact O-N 2.82Å; Q660-Q664 WeakPolarHBondContact O-CG 3.31Å; Q660-Q664 PolarHBondContact O-N 3.11Å; Q660-Q664 VanDerWaalsContact O-N 3.15Å; Q660-L738 HydrophobicContact CB-CD1 4.11Å; Q660-L738 HydrophobicContact CG-CD1 4.09Å
661A97Very high96.7Very high0 Ų033.2 Ų33.20%018%0.175CC..Hα-helixtrans-60.7-38.9177.200000111.7V657 Q664 M665 L731 R734 I735 L738V657-A661 WeakPolarHBondContact O-CB 3.39Å; V657-A661 PolarHBondContact O-N 3.08Å; A661-Q664 PolarHBondContact O-N 3.15Å; A661-M665 VanDerWaalsContact O-CG 3.28Å; A661-M665 WeakPolarHBondContact O-CG 3.43Å; A661-M665 PolarHBondContact O-N 2.83Å; A661-L731 HydrophobicContact CB-CD1 3.67Å; A661-R734 HydrophobicContact CB-CB 4.13Å; A661-R734 HydrophobicContact CB-CG 3.73Å; A661-I735 HydrophobicContact CB-CG1 3.68Å; A661-L738 HydrophobicContact CB-CD1 3.89Å
662W97.2Very high96.6Very high18 Ų1831.9 Ų31.97%0.06817%0.168CC..Hα-helixtrans-61.4-50.5177.1-178.8-92.1000111.9V658 Q659 Q660 Q664 M665 V666 K671 L675 R681 F727 Y728 L731V658-W662 WeakPolarHBondContact O-CB 3.45Å; V658-W662 PolarHBondContact O-N 3.49Å; Q659-W662 WeakPolarHBondContact O-CB 3.45Å; Q659-W662 PolarHBondContact O-N 3.25Å; Q660-W662 VanDerWaalsContact C-N 3.27Å; Q660-W662 PolarHBondContact O-N 3.29Å; W662-Q664 VanDerWaalsContact C-N 3.3Å; W662-Q664 PolarHBondContact O-N 3.43Å; W662-M665 PolarHBondContact O-N 3.47Å; W662-V666 HydrophobicContact CD2-CG2 4.2Å; W662-V666 HydrophobicContact CG-CG2 4.36Å; W662-V666 HydrophobicContact CZ2-CG2 4.06Å; W662-V666 WeakPolarHBondContact O-CB 3.39Å; W662-V666 WeakPolarHBondContact O-CG2 3.44Å; W662-V666 PolarHBondContact O-N 2.88Å; W662-K671 HydrophobicContact CZ2-CG 4.21Å; W662-L675 HydrophobicContact CH2-CD1 3.54Å; W662-L675 HydrophobicContact CZ2-CD1 4.04Å; W662-R681 HydrophobicContact CD2-CG 3.99Å; W662-R681 HydrophobicContact CE3-CB 4.15Å; W662-R681 HydrophobicContact CE3-CG 3.98Å; W662-R681 HydrophobicContact CH2-CB 3.81Å; W662-R681 HydrophobicContact CH2-CG 3.79Å; W662-R681 HydrophobicContact CZ2-CB 4.33Å; W662-R681 HydrophobicContact CZ2-CG 3.8Å; W662-R681 HydrophobicContact CZ3-CB 3.7Å; W662-R681 HydrophobicContact CZ3-CG 3.87Å; W662-F727 HydrophobicContact CE3-CE1 4.14Å; W662-F727 HydrophobicContact CE3-CZ 4.35Å; W662-F727 HydrophobicContact CH2-CE1 4.06Å; W662-F727 HydrophobicContact CH2-CZ 4.37Å; W662-F727 AromaticContact CZ3-CE1 3.64Å; W662-F727 HydrophobicContact CZ3-CE1 3.64Å; W662-F727 HydrophobicContact CZ3-CZ 4.13Å; W662-Y728 HydrophobicContact CZ3-CE1 4.18Å; W662-L731 HydrophobicContact CB-CD1 4.46Å; W662-L731 HydrophobicContact CE3-CD2 3.85Å; W662-L731 HydrophobicContact CZ3-CD2 4.17Å
663V95.3Very high96.5Very high69 Ų6934.8 Ų34.842%0.41818%0.184SC..Hα-helixtrans-56.8-45.6178.6170.90000110.8Q659 Q660 V666 A667Q659-V663 WeakPolarHBondContact O-CG2 3.39Å; Q659-V663 PolarHBondContact O-N 2.72Å; Q660-V663 PolarHBondContact O-N 2.82Å; V663-V666 PolarHBondContact O-N 3.35Å; V663-A667 WeakPolarHBondContact O-CB 3.45Å; V663-A667 PolarHBondContact O-N 3.27Å
664Q94.2Very high96.3Very high44 Ų4436.9 Ų36.921%0.20619%0.194CC..Hα-helixtrans-63.9-42.2178.4-67.4176.1000113.2E610 Q660 A661 W662 R668E610-Q664 VanDerWaalsContact OE2-CD 3.3Å; E610-Q664 PolarHBondContact OE2-NE2 2.69Å; E610-Q664 PolarHBondContact OE2-OE1 3.11Å; Q660-Q664 WeakPolarHBondContact O-CG 3.31Å; Q660-Q664 PolarHBondContact O-N 3.11Å; Q660-Q664 VanDerWaalsContact O-N 3.15Å; A661-Q664 PolarHBondContact O-N 3.15Å; W662-Q664 VanDerWaalsContact C-N 3.3Å; W662-Q664 PolarHBondContact O-N 3.43Å; Q664-R668 PolarHBondContact O-N 3.42Å
665M95.9Very high96.2Very high9 Ų937.6 Ų37.64%0.04420%0.197CC..Hα-helixtrans-68.5-41.7178.7-68.1-55.392.700111.3A661 W662 R668 Y669 F727 R730 L731 R734A661-M665 VanDerWaalsContact O-CG 3.28Å; A661-M665 WeakPolarHBondContact O-CG 3.43Å; A661-M665 PolarHBondContact O-N 2.83Å; W662-M665 PolarHBondContact O-N 3.47Å; M665-R668 PolarHBondContact O-N 2.96Å; M665-Y669 WeakPolarHBondContact O-CD2 3.35Å; M665-Y669 PolarHBondContact O-N 2.82Å; M665-Y669 HydrophobicContact SD-CD2 4.27Å; M665-Y669 HydrophobicContact SD-CE2 3.94Å; M665-F727 HydrophobicContact CB-CD2 4.37Å; M665-F727 HydrophobicContact CB-CE2 3.56Å; M665-F727 HydrophobicContact CB-CZ 3.69Å; M665-R730 HydrophobicContact SD-CB 3.94Å; M665-L731 HydrophobicContact CG-CB 4.23Å; M665-L731 HydrophobicContact CG-CD1 4.02Å; M665-R734 HydrophobicContact CE-CB 4.26Å; M665-R734 HydrophobicContact CE-CG 4.21Å
666V96.6Very high95.7Very high34 Ų3442.1 Ų42.121%0.20622%0.222CC..Hα-helixtrans-65.8-42.8177.91710000111.6W662 V663 R668 G670 K671 F727W662-V666 HydrophobicContact CD2-CG2 4.2Å; W662-V666 HydrophobicContact CG-CG2 4.36Å; W662-V666 HydrophobicContact CZ2-CG2 4.06Å; W662-V666 WeakPolarHBondContact O-CB 3.39Å; W662-V666 WeakPolarHBondContact O-CG2 3.44Å; W662-V666 PolarHBondContact O-N 2.88Å; V663-V666 PolarHBondContact O-N 3.35Å; V666-R668 PolarHBondContact O-N 3.02Å; V666-G670 VanDerWaalsContact O-CA 3.24Å; V666-G670 WeakPolarHBondContact O-CA 3.06Å; V666-G670 PolarHBondContact O-N 3.16Å; V666-K671 HydrophobicContact CB-CG 4.38Å; V666-K671 HydrophobicContact CG1-CG 3.82Å; V666-K671 HydrophobicContact CG2-CG 3.6Å; V666-F727 HydrophobicContact CG2-CZ 4.13Å
667A94.4Very high95.3Very high88 Ų8850.9 Ų50.973%0.72726%0.26SS*.Hα-helixtrans-58.5-31.517600000112.4V663V663-A667 WeakPolarHBondContact O-CB 3.45Å; V663-A667 PolarHBondContact O-N 3.27Å
668R94.7Very high94.9Very high130 Ų13053.1 Ų53.149%0.49127%0.268SS..Hα-helixtrans-90.7-36.6-176.9-175.1171.2-179.81401.2114.6Q664 M665 V666Q664-R668 PolarHBondContact O-N 3.42Å; M665-R668 PolarHBondContact O-N 2.96Å; V666-R668 PolarHBondContact O-N 3.02Å
669Y97.1Very high94.3Very high10 Ų1063 Ų634%0.03931%0.314CS..Hα-helixtrans-122.5-11.7-169.2-58.3-66000113.6M665 T716 G718 R720 I722 F727M665-Y669 WeakPolarHBondContact O-CD2 3.35Å; M665-Y669 PolarHBondContact O-N 2.82Å; M665-Y669 HydrophobicContact SD-CD2 4.27Å; M665-Y669 HydrophobicContact SD-CE2 3.94Å; Y669-T716 WeakPolarHBondContact O-CB 3.09Å; Y669-T716 PolarHBondContact O-OG1 3.13Å; Y669-G718 VanDerWaalsContact O-CA 3.3Å; Y669-G718 WeakPolarHBondContact O-CA 3.38Å; Y669-G718 PolarHBondContact O-N 3.46Å; Y669-R720 HydrophobicContact CD1-CB 4.3Å; Y669-R720 HydrophobicContact CD1-CG 4.2Å; Y669-R720 HydrophobicContact CE1-CG 4.33Å; Y669-I722 HydrophobicContact CD1-CD1 3.72Å; Y669-I722 HydrophobicContact CD1-CG1 4.08Å; Y669-I722 HydrophobicContact CD1-CG2 3.96Å; Y669-I722 HydrophobicContact CD2-CD1 4.04Å; Y669-I722 HydrophobicContact CE1-CD1 4.07Å; Y669-I722 HydrophobicContact CE1-CG2 4.14Å; Y669-I722 HydrophobicContact CE2-CD1 4.38Å; Y669-I722 HydrophobicContact CG-CD1 3.7Å; Y669-I722 HydrophobicContact CG-CG1 4.2Å; Y669-F727 HydrophobicContact CD2-CD2 4.43Å
670G96.6Very high94.2Very high6 Ų659.8 Ų59.86%0.06231%0.305CS..  trans76.1-173.7-161.500000112.3V666 D717 F727V666-G670 VanDerWaalsContact O-CA 3.24Å; V666-G670 WeakPolarHBondContact O-CA 3.06Å; V666-G670 PolarHBondContact O-N 3.16Å; G670-D717 WeakPolarHBondContact CA-OD1 3.16Å; G670-F727 WeakPolarHBondContact O-CE2 3.44Å
671K96.5Very high94.2Very high99 Ų9961.3 Ų61.343%0.4331%0.309SS..  trans-93.9148.3175.8-64.5175.3-175.41760110.1W662 V666 N673 T716 D717W662-K671 HydrophobicContact CZ2-CG 4.21Å; V666-K671 HydrophobicContact CB-CG 4.38Å; V666-K671 HydrophobicContact CG1-CG 3.82Å; V666-K671 HydrophobicContact CG2-CG 3.6Å; K671-N673 PolarHBondContact O-N 2.68Å; K671-T716 CarbonylContact O-C 3.58Å; K671-T716 VanDerWaalsContact O-CA 3.3Å; K671-T716 WeakPolarHBondContact O-CA 3.49Å; K671-D717 PolarHBondContact N-OD1 3.24Å; K671-D717 PolarHBondContact O-N 2.96Å
672P97Very high94.2Very high0 Ų061.3 Ų61.30%031%0.309CS..BIsolated β-bridgetrans-55.8124.4166.8-2735.9000111.5H674 L675 T716 F727 Y728P672-H674 VanDerWaalsContact CB-CE1 3.47Å; P672-H674 WeakPolarHBondContact CB-CE1 3.46Å; P672-H674 WeakPolarHBondContact CB-ND1 3.33Å; P672-H674 PolarHBondContact O-N 2.69Å; P672-H674 VanDerWaalsContact O-N 3.14Å; P672-L675 HydrophobicContact CB-CD1 4.27Å; P672-L675 HydrophobicContact CB-CG 4.36Å; P672-L675 HydrophobicContact CG-CD1 4.34Å; P672-L675 WeakPolarHBondContact O-CB 3.3Å; P672-L675 WeakPolarHBondContact O-CG 3.49Å; P672-L675 PolarHBondContact O-N 2.98Å; P672-T716 HydrophobicContact CG-CG2 4.4Å; P672-F727 HydrophobicContact CG-CB 4.21Å; P672-F727 HydrophobicContact CG-CD1 3.46Å; P672-F727 VanDerWaalsContact CG-CD1 3.46Å; P672-F727 HydrophobicContact CG-CD2 4.49Å; P672-F727 HydrophobicContact CG-CE1 3.9Å; P672-F727 HydrophobicContact CG-CG 3.81Å; P672-Y728 HydrophobicContact CB-CE2 4.45Å; P672-Y728 HydrophobicContact CG-CE2 4.03Å
673N95.5Very high94.2Very high63 Ų6360.4 Ų60.434%0.33731%0.306SS..G310 helixtrans-61.3-25-171.662.90.3000114.7K671 L675 N676 A714 M715K671-N673 PolarHBondContact O-N 2.68Å; N673-L675 PolarHBondContact O-N 2.83Å; N673-L675 VanDerWaalsContact O-N 3.12Å; N673-N676 VanDerWaalsContact O-CG 3.3Å; N673-N676 PolarHBondContact O-N 2.74Å; N673-N676 PolarHBondContact O-ND2 2.68Å; N673-A714 WeakPolarHBondContact OD1-CA 3.47Å; N673-M715 VanDerWaalsContact CB-O 3.27Å; N673-M715 WeakPolarHBondContact CB-O 3.39Å; N673-M715 PolarHBondContact N-O 3.35Å; N673-M715 PolarHBondContact ND2-N 3.39Å; N673-M715 PolarHBondContact OD1-N 3.48Å; N673-M715 VanDerWaalsContact OD1-N 3.13Å; N673-M715 PolarHBondContact OD1-O 3.02Å
674H94.8Very high94.4Very high45 Ų4557.1 Ų57.121%0.20829%0.286CS..G310 helixtrans-64.5-11.2174.378.7-73.4000113.7P672 N676 P711 A714 Y728P672-H674 VanDerWaalsContact CB-CE1 3.47Å; P672-H674 WeakPolarHBondContact CB-CE1 3.46Å; P672-H674 WeakPolarHBondContact CB-ND1 3.33Å; P672-H674 PolarHBondContact O-N 2.69Å; P672-H674 VanDerWaalsContact O-N 3.14Å; H674-N676 VanDerWaalsContact C-N 3.33Å; H674-P711 HydrophobicContact CB-CG 4.31Å; H674-A714 HydrophobicContact CB-CB 4.2Å; H674-Y728 AromaticContact CE1-CE2 3.84Å; H674-Y728 PolarHBondContact CE1-OH 3.08Å; H674-Y728 VanDerWaalsContact CE1-OH 3.23Å
675L95.7Very high94.6Very high16 Ų1655 Ų558%0.08428%0.276CS..G310 helixtrans-82.5-5.6177.8-60177.1000113.8W662 P672 N673 E677 R678W662-L675 HydrophobicContact CH2-CD1 3.54Å; W662-L675 HydrophobicContact CZ2-CD1 4.04Å; P672-L675 HydrophobicContact CB-CD1 4.27Å; P672-L675 HydrophobicContact CB-CG 4.36Å; P672-L675 HydrophobicContact CG-CD1 4.34Å; P672-L675 WeakPolarHBondContact O-CB 3.3Å; P672-L675 WeakPolarHBondContact O-CG 3.49Å; P672-L675 PolarHBondContact O-N 2.98Å; N673-L675 PolarHBondContact O-N 2.83Å; N673-L675 VanDerWaalsContact O-N 3.12Å; L675-E677 PolarHBondContact O-N 3.35Å; L675-E677 VanDerWaalsContact O-N 3.15Å; L675-R678 HydrophobicContact CD2-CB 4.37Å; L675-R678 PolarHBondContact O-N 3.47Å; L675-R678 VanDerWaalsContact O-O 3.04Å
676N88.1Confident94.7Very high129 Ų12954.6 Ų54.669%0.6927%0.274SS*.G310 helixtrans-58.5-29.2-179.2-73.1-29.6000113.4N673 H674N673-N676 VanDerWaalsContact O-CG 3.3Å; N673-N676 PolarHBondContact O-N 2.74Å; N673-N676 PolarHBondContact O-ND2 2.68Å; H674-N676 VanDerWaalsContact C-N 3.33Å
677E87.7Confident94.8Very high200 Ų20053 Ų5394%0.93527%0.265SS*.G310 helixtrans-106.118178.8-60.9-177.7-179.700112.5L675L675-E677 PolarHBondContact O-N 3.35Å; L675-E677 VanDerWaalsContact O-N 3.15Å
678R89.5Confident95Very high47 Ų4749 Ų4918%0.17723%0.23CC..  trans-130.3130.1-175.7-164.2-174.2-176.7136.80.2111L675 G680 D709 D796L675-R678 HydrophobicContact CD2-CB 4.37Å; L675-R678 PolarHBondContact O-N 3.47Å; L675-R678 VanDerWaalsContact O-O 3.04Å; R678-G680 VanDerWaalsContact C-N 3.27Å; R678-G680 PolarHBondContact O-N 3.19Å; R678-D709 IonicContact CZ-OD1 2.7Å; R678-D709 IonicContact CZ-OD2 3.61Å; R678-D709 IonicContact NH1-OD1 2.66Å; R678-D709 PolarHBondContact NH1-OD1 2.99Å; R678-D709 IonicContact NH1-OD2 3.63Å; R678-D709 PolarHBondContact NH1-OD2 3.31Å; R678-D709 IonicContact NH2-OD1 2.67Å; R678-D709 PolarHBondContact NH2-OD1 3.14Å; R678-D709 IonicContact NH2-OD2 3.72Å; R678-D709 PolarHBondContact NH2-OD2 3.38Å; R678-D796 IonicContact CZ-OD1 3.21Å; R678-D796 IonicContact CZ-OD2 3.46Å; R678-D796 IonicContact NE-OD1 2.82Å; R678-D796 IonicContact NE-OD2 2.76Å; R678-D796 PolarHBondContact NE-OD2 3.29Å; R678-D796 VanDerWaalsContact NH2-CG 3.35Å; R678-D796 IonicContact NH2-OD1 3.91Å; R678-D796 PolarHBondContact NH2-OD1 3.05Å; R678-D796 IonicContact NH2-OD2 2.88Å; R678-D796 PolarHBondContact NH2-OD2 3.44Å
679E86.6Confident95Very high208 Ų20843.7 Ų43.797%0.97222%0.217SC*.SBendtrans-68.9-29.4173.7-68.8-168.4159.900112.7
680G92.1Very high94.9Very high20 Ų2045.7 Ų45.721%0.20623%0.226CC..SBendtrans-84.6-177.8-177.100000115.1R678 D796R678-G680 VanDerWaalsContact C-N 3.27Å; R678-G680 PolarHBondContact O-N 3.19Å; G680-D796 WeakPolarHBondContact CA-OD2 3.13Å
681R96.1Very high95Very high52 Ų5245.4 Ų45.420%0.19622%0.223CC..  trans-97.3-6.2-178.6-73.7176.2178165.65.9114.1W662 F683 Y728 Y794 D796W662-R681 HydrophobicContact CD2-CG 3.99Å; W662-R681 HydrophobicContact CE3-CB 4.15Å; W662-R681 HydrophobicContact CE3-CG 3.98Å; W662-R681 HydrophobicContact CH2-CB 3.81Å; W662-R681 HydrophobicContact CH2-CG 3.79Å; W662-R681 HydrophobicContact CZ2-CB 4.33Å; W662-R681 HydrophobicContact CZ2-CG 3.8Å; W662-R681 HydrophobicContact CZ3-CB 3.7Å; W662-R681 HydrophobicContact CZ3-CG 3.87Å; R681-F683 PolarHBondContact O-N 2.88Å; R681-Y728 VanDerWaalsContact O-CE1 3.26Å; R681-Y728 WeakPolarHBondContact O-CE1 3.23Å; R681-Y728 PolarHBondContact O-OH 3.39Å; R681-Y794 VanDerWaalsContact CD-OH 3.22Å; R681-Y794 WeakPolarHBondContact CD-OH 3.46Å; R681-Y794 PolarHBondContact NH1-OH 2.98Å; R681-D796 PolarHBondContact N-OD2 2.97Å
682G96.7Very high95Very high0 Ų040.7 Ų40.70%020%0.202CC..SBendtrans62.425.3-17500000113H708 D709 D796G682-H708 VanDerWaalsContact O-CA 3.31Å; G682-H708 WeakPolarHBondContact O-CA 3.46Å; G682-H708 WeakPolarHBondContact O-CB 3.46Å; G682-D709 WeakPolarHBondContact CA-OD1 3.46Å; G682-D796 PolarHBondContact N-OD2 3.24Å
683F98.3Very high94.9Very high0 Ų040.7 Ų40.70%020%0.202CC..EExtended strand (participates in β ladder)trans-137.1137.3-177.9-174-103.4000110.3V658 R681 V685 F706 L707 Y728 L731 A732 I735 V765 Y794 L799V658-F683 HydrophobicContact CG1-CD1 4.3Å; V658-F683 HydrophobicContact CG1-CE1 4.49Å; R681-F683 PolarHBondContact O-N 2.88Å; F683-V685 HydrophobicContact CE1-CG2 3.87Å; F683-F706 HydrophobicContact CE1-CD1 4.1Å; F683-F706 HydrophobicContact CE2-CB 3.94Å; F683-F706 HydrophobicContact CE2-CD1 4.48Å; F683-F706 HydrophobicContact CZ-CB 3.83Å; F683-F706 AromaticContact CZ-CD1 3.54Å; F683-F706 HydrophobicContact CZ-CD1 3.54Å; F683-F706 HydrophobicContact CZ-CE1 4.43Å; F683-F706 AromaticContact CZ-CG 3.95Å; F683-F706 HydrophobicContact CZ-CG 3.95Å; F683-L707 WeakPolarHBondContact CA-O 3.36Å; F683-L707 WeakPolarHBondContact CD2-O 3.35Å; F683-Y728 HydrophobicContact CB-CD1 3.88Å; F683-Y728 HydrophobicContact CB-CE1 3.73Å; F683-Y728 AromaticContact CD2-CD1 3.61Å; F683-Y728 HydrophobicContact CD2-CD1 3.61Å; F683-Y728 HydrophobicContact CD2-CE1 4.35Å; F683-Y728 HydrophobicContact CD2-CG 4.33Å; F683-Y728 HydrophobicContact CG-CD1 4.11Å; F683-Y728 HydrophobicContact CG-CE1 4.46Å; F683-L731 HydrophobicContact CB-CD2 4.33Å; F683-L731 HydrophobicContact CD1-CD2 3.94Å; F683-L731 HydrophobicContact CD2-CD2 4.03Å; F683-L731 HydrophobicContact CE1-CD2 4.19Å; F683-L731 HydrophobicContact CE2-CD2 4.26Å; F683-L731 HydrophobicContact CG-CD2 3.83Å; F683-L731 HydrophobicContact CZ-CD2 4.33Å; F683-A732 HydrophobicContact CE2-CB 4.43Å; F683-A732 HydrophobicContact CZ-CB 4.28Å; F683-I735 HydrophobicContact CE1-CD1 3.55Å; F683-I735 HydrophobicContact CZ-CD1 3.81Å; F683-V765 HydrophobicContact CE2-CG1 4.05Å; F683-V765 HydrophobicContact CE2-CG2 4.43Å; F683-Y794 HydrophobicContact CD1-CD1 4.43Å; F683-Y794 HydrophobicContact CD1-CE1 4.32Å; F683-L799 VanDerWaalsContact C-CD2 3.47Å
684A98.5Very high95Very high0 Ų039.1 Ų39.10%019%0.192CC..EExtended strand (participates in β ladder)trans-134.1145.4177.400000111.7F706 L707 V792 Y794 L799A684-F706 WeakPolarHBondContact O-CA 3.49Å; A684-L707 HydrophobicContact CB-CB 4.45Å; A684-L707 PolarHBondContact N-O 3.45Å; A684-L707 PolarHBondContact O-N 2.86Å; A684-V792 HydrophobicContact CB-CG1 4.45Å; A684-Y794 CarbonylContact C-O 3.39Å; A684-Y794 WeakPolarHBondContact CA-O 3.29Å; A684-Y794 WeakPolarHBondContact CB-O 3.41Å; A684-L799 HydrophobicContact CB-CB 4.46Å; A684-L799 HydrophobicContact CB-CD2 3.48Å; A684-L799 VanDerWaalsContact CB-CD2 3.48Å; A684-L799 HydrophobicContact CB-CG 3.73Å
685V98.7Very high95Very high0 Ų037.4 Ų37.40%018%0.184CC..EExtended strand (participates in β ladder)trans-108.9125.6168.6-171.80000107.3I654 V658 F683 L704 F706 V793 Y794I654-V685 HydrophobicContact CG2-CB 4.3Å; I654-V685 HydrophobicContact CG2-CG1 4.33Å; I654-V685 HydrophobicContact CG2-CG2 4.15Å; V658-V685 HydrophobicContact CG2-CG2 4Å; F683-V685 HydrophobicContact CE1-CG2 3.87Å; V685-L704 HydrophobicContact CG1-CB 4.14Å; V685-L704 HydrophobicContact CG1-CD1 4.06Å; V685-L704 HydrophobicContact CG1-CD2 3.85Å; V685-L704 HydrophobicContact CG1-CG 4.24Å; V685-F706 HydrophobicContact CB-CD1 4.45Å; V685-F706 HydrophobicContact CG1-CD1 4.22Å; V685-F706 HydrophobicContact CG1-CE1 3.97Å; V685-F706 HydrophobicContact CG2-CD1 3.95Å; V685-F706 HydrophobicContact CG2-CE1 4Å; V685-V793 HydrophobicContact CB-CG2 3.98Å; V685-V793 HydrophobicContact CG1-CG2 3.8Å; V685-V793 VanDerWaalsContact O-CG2 3.32Å; V685-V793 WeakPolarHBondContact O-CG2 3.34Å; V685-V793 PolarHBondContact O-N 3.22Å; V685-Y794 HydrophobicContact CG2-CD1 4.15Å; V685-Y794 HydrophobicContact CG2-CG 4.29Å; V685-Y794 PolarHBondContact N-O 3.47Å; V685-Y794 PolarHBondContact O-N 3.3Å
686V98.6Very high95.1Very high0 Ų036.8 Ų36.80%018%0.18CC..EExtended strand (participates in β ladder)trans-108.3121.3177-178.10000108.2Y688 I705 L707 A790 R791 V792 F803V686-Y688 HydrophobicContact CB-CE2 4.28Å; V686-Y688 HydrophobicContact CG1-CD2 3.94Å; V686-Y688 HydrophobicContact CG1-CE2 3.58Å; V686-I705 HydrophobicContact CB-CD1 4.29Å; V686-I705 HydrophobicContact CB-CG1 3.66Å; V686-I705 HydrophobicContact CG1-CG1 4.33Å; V686-I705 HydrophobicContact CG2-CG1 4.23Å; V686-I705 PolarHBondContact N-O 3.21Å; V686-I705 PolarHBondContact O-N 2.79Å; V686-L707 HydrophobicContact CG2-CD1 3.82Å; V686-L707 HydrophobicContact CG2-CG 4.29Å; V686-A790 HydrophobicContact CG1-CB 3.95Å; V686-R791 CarbonylContact C-O 3.5Å; V686-R791 WeakPolarHBondContact CA-O 3.05Å; V686-R791 WeakPolarHBondContact CG1-O 3.47Å; V686-V792 HydrophobicContact CG2-CG2 4.43Å; V686-F803 HydrophobicContact CB-CE2 4.34Å; V686-F803 HydrophobicContact CB-CZ 4.43Å; V686-F803 HydrophobicContact CG1-CD2 4.47Å; V686-F803 HydrophobicContact CG1-CE1 3.96Å; V686-F803 HydrophobicContact CG1-CE2 3.67Å; V686-F803 HydrophobicContact CG1-CZ 3.37Å; V686-F803 HydrophobicContact CG2-CD2 3.81Å; V686-F803 HydrophobicContact CG2-CE2 3.8Å; V686-F803 HydrophobicContact CG2-CG 4.21Å; V686-F803 HydrophobicContact CG2-CZ 4.2Å
687G98.3Very high95.4Very high0 Ų031.4 Ų31.40%016%0.156CC..EExtended strand (participates in β ladder)trans-85.1124.6174.800000110.5G692 D703 A790 R791G687-G692 WeakPolarHBondContact O-CA 3.22Å; G687-D703 WeakPolarHBondContact CA-O 3.38Å; G687-A790 VanDerWaalsContact O-CA 3.31Å; G687-A790 WeakPolarHBondContact O-CA 3.5Å; G687-R791 PolarHBondContact N-O 3.44Å; G687-R791 PolarHBondContact O-N 2.98Å
688Y97.8Very high95.7Very high3 Ų322.5 Ų22.51%0.01211%0.114CC..  trans-102.3-176.3172.1-84.7-110.9000110.2V686 K690 L691 G692 D703 I705 L755 A786 L787 A790V686-Y688 HydrophobicContact CB-CE2 4.28Å; V686-Y688 HydrophobicContact CG1-CD2 3.94Å; V686-Y688 HydrophobicContact CG1-CE2 3.58Å; Y688-K690 PolarHBondContact O-N 3.05Å; Y688-L691 PolarHBondContact O-N 3.13Å; Y688-G692 PolarHBondContact O-N 3.34Å; Y688-D703 PolarHBondContact N-O 3.01Å; Y688-I705 HydrophobicContact CD2-CD1 4.45Å; Y688-I705 HydrophobicContact CD2-CG1 4.19Å; Y688-I705 HydrophobicContact CD2-CG2 4.28Å; Y688-I705 HydrophobicContact CE2-CD1 3.46Å; Y688-I705 VanDerWaalsContact CE2-CD1 3.46Å; Y688-I705 HydrophobicContact CE2-CG1 3.64Å; Y688-I705 HydrophobicContact CE2-CG2 4.18Å; Y688-L755 HydrophobicContact CD1-CB 4.22Å; Y688-L755 HydrophobicContact CD1-CD1 3.85Å; Y688-L755 HydrophobicContact CG-CB 4.44Å; Y688-L755 HydrophobicContact CG-CD1 4.05Å; Y688-A786 HydrophobicContact CD1-CB 4.09Å; Y688-A786 HydrophobicContact CE1-CB 4.23Å; Y688-L787 HydrophobicContact CE1-CD1 4.41Å; Y688-L787 WeakPolarHBondContact OH-CD1 3.33Å; Y688-A790 HydrophobicContact CD1-CB 4Å; Y688-A790 HydrophobicContact CD2-CB 3.82Å; Y688-A790 HydrophobicContact CE1-CB 3.79Å; Y688-A790 HydrophobicContact CE2-CB 3.55Å; Y688-A790 HydrophobicContact CG-CB 4.04Å
689G94.8Very high95.9Very high20 Ų2025.4 Ų25.421%0.20614%0.141CC..Hα-helixtrans55.2-132.5168.800000112.8G693G689-G693 PolarHBondContact O-N 3.49Å
690K95.1Very high96.2Very high51 Ų5116.2 Ų16.222%0.22210%0.1CC..Hα-helixtrans-68.7-34.9-176.3-61.2-165.4-146.880.50113Y688 W694 E695 L696Y688-K690 PolarHBondContact O-N 3.05Å; K690-W694 PolarHBondContact O-N 3.16Å; K690-E695 HydrophobicContact CB-CB 4.32Å; K690-E695 WeakPolarHBondContact CD-O 3.21Å; K690-E695 PolarHBondContact O-N 3.38Å; K690-L696 HydrophobicContact CB-CD2 3.85Å
691L97.7Very high96.4Very high0 Ų018.7 Ų18.70%011%0.108CC..Hα-helixtrans-65.8-48.4177.4174.165.4000110.8T647 A650 I654 Y688 G693 W694 L696 L702 L704 R791 V793T647-L691 HydrophobicContact CG2-CD1 4.18Å; A650-L691 HydrophobicContact CB-CD1 4.03Å; I654-L691 HydrophobicContact CD1-CD2 3.87Å; Y688-L691 PolarHBondContact O-N 3.13Å; L691-G693 VanDerWaalsContact C-N 3.3Å; L691-G693 PolarHBondContact O-N 3.41Å; L691-W694 PolarHBondContact O-N 2.86Å; L691-L696 HydrophobicContact CB-CD2 4.08Å; L691-L696 HydrophobicContact CB-CG 4.5Å; L691-L696 HydrophobicContact CD1-CD1 3.92Å; L691-L702 HydrophobicContact CD1-CD2 4.5Å; L691-L702 HydrophobicContact CD2-CD2 4.38Å; L691-L704 HydrophobicContact CD2-CD2 3.4Å; L691-L704 VanDerWaalsContact CD2-CD2 3.4Å; L691-R791 PolarHBondContact O-NE 3.22Å; L691-R791 PolarHBondContact O-NH2 3.38Å; L691-V793 HydrophobicContact CD1-CG1 4.44Å; L691-V793 HydrophobicContact CD2-CG1 4.08Å; L691-V793 HydrophobicContact CD2-CG2 4.29Å; L691-V793 HydrophobicContact CG-CG1 4.08Å
692G97Very high96.5Very high0 Ų016.2 Ų16.20%010%0.099CC..Hα-helixtrans-67.5-32.1178.900000113G687 Y688 R789 R791 S877G687-G692 WeakPolarHBondContact O-CA 3.22Å; Y688-G692 PolarHBondContact O-N 3.34Å; G692-R789 CarbonylContact C-O 3.58Å; G692-R789 WeakPolarHBondContact CA-O 3.39Å; G692-R791 WeakPolarHBondContact O-CD 3.49Å; G692-R791 PolarHBondContact O-NE 2.89Å; G692-S877 PolarHBondContact O-OG 3.35Å
693G95.7Very high96.5Very high0 Ų017.4 Ų17.40%011%0.105CC..THydrogen-bonded Turntrans-88.69.317800000116.5G689 L691 E695 D878G689-G693 PolarHBondContact O-N 3.49Å; L691-G693 VanDerWaalsContact C-N 3.3Å; L691-G693 PolarHBondContact O-N 3.41Å; G693-E695 VanDerWaalsContact C-N 3.3Å; G693-E695 PolarHBondContact O-N 3.49Å; G693-D878 WeakPolarHBondContact O-CB 3.35Å
694W96.7Very high96.5Very high31 Ų3117.4 Ų17.412%0.11711%0.105CC..THydrogen-bonded Turntrans53.145.4-178.7-68.679.6000113.1S643 T647 W648 K690 L691 R791 D878S643-W694 WeakPolarHBondContact CB-O 3.34Å; T647-W694 HydrophobicContact CG2-CD2 3.75Å; T647-W694 HydrophobicContact CG2-CE3 3.55Å; T647-W694 HydrophobicContact CG2-CG 4.35Å; T647-W694 HydrophobicContact CG2-CH2 4.06Å; T647-W694 HydrophobicContact CG2-CZ2 4.28Å; T647-W694 HydrophobicContact CG2-CZ3 3.7Å; W648-W694 AromaticContact CD1-CZ3 3.72Å; W648-W694 HydrophobicContact CD2-CH2 4.03Å; W648-W694 HydrophobicContact CD2-CZ3 4.34Å; W648-W694 AromaticContact CE2-CH2 3.55Å; W648-W694 AromaticContact CE2-CZ3 3.9Å; W648-W694 HydrophobicContact CG-CH2 4.4Å; W648-W694 HydrophobicContact CG-CZ3 4.25Å; W648-W694 HydrophobicContact CH2-CH2 4.44Å; W648-W694 AromaticContact CZ2-CH2 3.8Å; W648-W694 HydrophobicContact CZ2-CH2 3.8Å; W648-W694 AromaticContact NE1-CH2 3.63Å; W648-W694 AromaticContact NE1-CZ3 3.47Å; K690-W694 PolarHBondContact O-N 3.16Å; L691-W694 PolarHBondContact O-N 2.86Å; W694-R791 VanDerWaalsContact NE1-NE 3.11Å; W694-D878 HydrophobicContact CB-CB 4.19Å
695E95.4Very high96.5Very high9 Ų917.5 Ų17.54%0.04211%0.106CC..  trans-134.524.8-171-160.1-168.3133.900112K690 G693 G697 R789 Y904 R908K690-E695 HydrophobicContact CB-CB 4.32Å; K690-E695 WeakPolarHBondContact CD-O 3.21Å; K690-E695 PolarHBondContact O-N 3.38Å; G693-E695 VanDerWaalsContact C-N 3.3Å; G693-E695 PolarHBondContact O-N 3.49Å; E695-G697 PolarHBondContact O-N 3.46Å; E695-R789 IonicContact OE2-CZ 2.91Å; E695-R789 IonicContact OE2-NH1 3.41Å; E695-R789 PolarHBondContact OE2-NH1 2.93Å; E695-R789 IonicContact OE2-NH2 3.3Å; E695-R789 PolarHBondContact OE2-NH2 3.38Å; E695-Y904 VanDerWaalsContact CD-OH 3.3Å; E695-Y904 HydrophobicContact CG-CE2 4.44Å; E695-Y904 WeakPolarHBondContact CG-OH 3.41Å; E695-Y904 PolarHBondContact OE2-OH 3.42Å; E695-R908 HydrophobicContact CG-CG 3.98Å
696L96.8Very high96.5Very high2 Ų217.6 Ų17.61%0.0111%0.106CC..  trans-61.9139174.9-67.6-173.3000110.6S643 L646 A650 K690 L691 L702 H912S643-L696 WeakPolarHBondContact CA-O 3.29Å; S643-L696 WeakPolarHBondContact CB-O 3.28Å; S643-L696 PolarHBondContact OG-O 3.47Å; L646-L696 HydrophobicContact CB-CB 3.91Å; L646-L696 WeakPolarHBondContact CD1-O 3.32Å; A650-L696 HydrophobicContact CB-CD1 3.52Å; K690-L696 HydrophobicContact CB-CD2 3.85Å; L691-L696 HydrophobicContact CB-CD2 4.08Å; L691-L696 HydrophobicContact CB-CG 4.5Å; L691-L696 HydrophobicContact CD1-CD1 3.92Å; L696-L702 HydrophobicContact CD1-CD2 3.95Å; L696-L702 HydrophobicContact CD2-CD2 4.16Å; L696-H912 PolarHBondContact O-CE1 3.37Å
697G95Very high96.5Very high17 Ų1717.7 Ų17.718%0.17511%0.107CC..  trans-106.8170.7163.200000111.2E695 S699 S700E695-G697 PolarHBondContact O-N 3.46Å; G697-S699 PolarHBondContact O-N 2.9Å; G697-S700 PolarHBondContact N-OG 3.39Å; G697-S700 WeakPolarHBondContact O-CB 3.4Å; G697-S700 PolarHBondContact O-N 2.96Å; G697-S700 VanDerWaalsContact O-N 3.08Å; G697-S700 PolarHBondContact O-OG 3Å
698Y95Very high96.5Very high13 Ų1318.1 Ų18.15%0.05111%0.109CC..THydrogen-bonded Turntrans-52.3-34.3-170.5-67.3-77.3000115M564 L625 I628 A629 D632 V642 L646 H912 A915 L916M564-Y698 HydrophobicContact CE-CD1 3.88Å; M564-Y698 HydrophobicContact CE-CD2 4.18Å; M564-Y698 HydrophobicContact CE-CE1 4.22Å; M564-Y698 HydrophobicContact CE-CE2 4.49Å; M564-Y698 HydrophobicContact CE-CG 3.87Å; M564-Y698 HydrophobicContact SD-CD2 4.1Å; M564-Y698 HydrophobicContact SD-CG 3.96Å; L625-Y698 HydrophobicContact CD2-CD1 4.38Å; I628-Y698 HydrophobicContact CB-CE1 4.4Å; I628-Y698 HydrophobicContact CG2-CE1 3.88Å; A629-Y698 WeakPolarHBondContact CA-OH 3.47Å; A629-Y698 HydrophobicContact CB-CD1 4.5Å; A629-Y698 HydrophobicContact CB-CE1 3.76Å; D632-Y698 PolarHBondContact OD2-OH 2.91Å; V642-Y698 HydrophobicContact CG1-CE1 4.35Å; V642-Y698 HydrophobicContact CG1-CE2 4.07Å; L646-Y698 HydrophobicContact CD1-CD1 4.4Å; L646-Y698 HydrophobicContact CD1-CG 4.49Å; L646-Y698 HydrophobicContact CD2-CD1 4.1Å; L646-Y698 HydrophobicContact CD2-CE1 4.46Å; Y698-H912 HydrophobicContact CE2-CB 4.28Å; Y698-A915 HydrophobicContact CD2-CB 4.15Å; Y698-L916 HydrophobicContact CE2-CD2 4.05Å; Y698-L916 HydrophobicContact CE2-CG 4.05Å
699S92.6Very high96.4Very high107 Ų10719.7 Ų19.775%0.74812%0.117SC*.THydrogen-bonded Turntrans-114.321.5-177.557.80000114G697G697-S699 PolarHBondContact O-N 2.9Å
700S93.5Very high96.5Very high16 Ų1618.9 Ų18.911%0.11211%0.108CC..  trans-72.4140.1-176.7-68.80000113.7G697G697-S700 PolarHBondContact N-OG 3.39Å; G697-S700 WeakPolarHBondContact O-CB 3.4Å; G697-S700 PolarHBondContact O-N 2.96Å; G697-S700 VanDerWaalsContact O-N 3.08Å; G697-S700 PolarHBondContact O-OG 3Å
701D96Very high96.5Very high71 Ų7118.9 Ų18.938%0.3811%0.113SC..  trans-67.2157.6165.3-52.1-16.7000111E750D701-E750 WeakPolarHBondContact CA-O 3.48Å; D701-E750 HydrophobicContact CB-CB 4.29Å; D701-E750 WeakPolarHBondContact OD1-CB 3.4Å
702L98Very high96.3Very high0 Ų024.9 Ų24.90%014%0.143CC..EExtended strand (participates in β ladder)trans-103.3111.8173.4-54.8-175.9000110.2A650 I654 L691 L696 L704 F739 Y749 E750 V751 D752A650-L702 HydrophobicContact CB-CD1 4.47Å; A650-L702 HydrophobicContact CB-CD2 3.96Å; I654-L702 HydrophobicContact CD1-CD1 4.31Å; I654-L702 HydrophobicContact CG1-CD1 4.36Å; L691-L702 HydrophobicContact CD1-CD2 4.5Å; L691-L702 HydrophobicContact CD2-CD2 4.38Å; L696-L702 HydrophobicContact CD1-CD2 3.95Å; L696-L702 HydrophobicContact CD2-CD2 4.16Å; L702-L704 HydrophobicContact CB-CD1 4.24Å; L702-L704 HydrophobicContact CB-CD2 4.14Å; L702-L704 HydrophobicContact CB-CG 3.96Å; L702-L704 PolarHBondContact O-N 3.01Å; L702-F739 HydrophobicContact CD1-CE1 4.4Å; L702-Y749 HydrophobicContact CD1-CD1 3.96Å; L702-Y749 HydrophobicContact CD1-CD2 3.92Å; L702-Y749 HydrophobicContact CD1-CG 3.62Å; L702-Y749 HydrophobicContact CD2-CD1 3.91Å; L702-Y749 HydrophobicContact CD2-CE1 4.06Å; L702-Y749 HydrophobicContact CD2-CG 4.44Å; L702-Y749 HydrophobicContact CG-CD1 3.69Å; L702-Y749 HydrophobicContact CG-CE1 4.33Å; L702-Y749 HydrophobicContact CG-CG 3.83Å; L702-E750 PolarHBondContact N-O 3.17Å; L702-V751 WeakPolarHBondContact O-CA 3.33Å; L702-D752 PolarHBondContact O-N 2.68Å
703D97.7Very high96.2Very high25 Ų2531.3 Ų31.313%0.13418%0.178CC..EExtended strand (participates in β ladder)trans-79.8100.5174.9-57.1-73.7000109.7G687 Y688 D752 L755G687-D703 WeakPolarHBondContact CA-O 3.38Å; Y688-D703 PolarHBondContact N-O 3.01Å; D703-D752 CarbonylContact C-O 3.45Å; D703-D752 VanDerWaalsContact CA-O 3.29Å; D703-D752 WeakPolarHBondContact CA-O 3.46Å; D703-L755 HydrophobicContact CB-CD1 4.44Å
704L98.3Very high96.3Very high0 Ų031.5 Ų31.50%018%0.179CC..EExtended strand (participates in β ladder)trans-121136-171.3-56.3-175.4000112.3I654 V685 L691 L702 F706 F739 V751 D752 A753 V793I654-L704 HydrophobicContact CD1-CD2 4.11Å; V685-L704 HydrophobicContact CG1-CB 4.14Å; V685-L704 HydrophobicContact CG1-CD1 4.06Å; V685-L704 HydrophobicContact CG1-CD2 3.85Å; V685-L704 HydrophobicContact CG1-CG 4.24Å; L691-L704 HydrophobicContact CD2-CD2 3.4Å; L691-L704 VanDerWaalsContact CD2-CD2 3.4Å; L702-L704 HydrophobicContact CB-CD1 4.24Å; L702-L704 HydrophobicContact CB-CD2 4.14Å; L702-L704 HydrophobicContact CB-CG 3.96Å; L702-L704 PolarHBondContact O-N 3.01Å; L704-F706 HydrophobicContact CB-CE1 4.5Å; L704-F706 HydrophobicContact CB-CZ 4.25Å; L704-F739 HydrophobicContact CD1-CE2 4.3Å; L704-V751 HydrophobicContact CB-CG1 3.97Å; L704-V751 HydrophobicContact CD1-CG1 3.78Å; L704-V751 HydrophobicContact CD1-CG2 4.37Å; L704-V751 HydrophobicContact CG-CG1 3.93Å; L704-D752 PolarHBondContact N-O 2.94Å; L704-A753 VanDerWaalsContact O-CA 3.28Å; L704-A753 WeakPolarHBondContact O-CA 3.39Å; L704-A753 WeakPolarHBondContact O-CB 3.47Å; L704-V793 HydrophobicContact CD2-CG2 4.49Å
705I97.9Very high96.3Very high3 Ų333 Ų332%0.01519%0.188CC..EExtended strand (participates in β ladder)trans-121.4155.6162.673.4166.4000110V686 Y688 R756 F771V686-I705 HydrophobicContact CB-CD1 4.29Å; V686-I705 HydrophobicContact CB-CG1 3.66Å; V686-I705 HydrophobicContact CG1-CG1 4.33Å; V686-I705 HydrophobicContact CG2-CG1 4.23Å; V686-I705 PolarHBondContact N-O 3.21Å; V686-I705 PolarHBondContact O-N 2.79Å; Y688-I705 HydrophobicContact CD2-CD1 4.45Å; Y688-I705 HydrophobicContact CD2-CG1 4.19Å; Y688-I705 HydrophobicContact CD2-CG2 4.28Å; Y688-I705 HydrophobicContact CE2-CD1 3.46Å; Y688-I705 VanDerWaalsContact CE2-CD1 3.46Å; Y688-I705 HydrophobicContact CE2-CG1 3.64Å; Y688-I705 HydrophobicContact CE2-CG2 4.18Å; I705-R756 HydrophobicContact CB-CB 4.18Å; I705-R756 HydrophobicContact CG2-CB 3.77Å; I705-F771 HydrophobicContact CD1-CD2 4.21Å; I705-F771 HydrophobicContact CD1-CE2 3.61Å; I705-F771 HydrophobicContact CD1-CZ 4.27Å
706F98.5Very high96.4Very high2 Ų232.7 Ų32.71%0.00919%0.187CC..EExtended strand (participates in β ladder)trans-118.2132.1-174.9-54.3-69.7000110.6F683 A684 V685 L704 A732 I735 M736 L764 V765 T766F683-F706 HydrophobicContact CE1-CD1 4.1Å; F683-F706 HydrophobicContact CE2-CB 3.94Å; F683-F706 HydrophobicContact CE2-CD1 4.48Å; F683-F706 HydrophobicContact CZ-CB 3.83Å; F683-F706 AromaticContact CZ-CD1 3.54Å; F683-F706 HydrophobicContact CZ-CD1 3.54Å; F683-F706 HydrophobicContact CZ-CE1 4.43Å; F683-F706 AromaticContact CZ-CG 3.95Å; F683-F706 HydrophobicContact CZ-CG 3.95Å; A684-F706 WeakPolarHBondContact O-CA 3.49Å; V685-F706 HydrophobicContact CB-CD1 4.45Å; V685-F706 HydrophobicContact CG1-CD1 4.22Å; V685-F706 HydrophobicContact CG1-CE1 3.97Å; V685-F706 HydrophobicContact CG2-CD1 3.95Å; V685-F706 HydrophobicContact CG2-CE1 4Å; L704-F706 HydrophobicContact CB-CE1 4.5Å; L704-F706 HydrophobicContact CB-CZ 4.25Å; F706-A732 HydrophobicContact CB-CB 4.22Å; F706-A732 HydrophobicContact CD1-CB 4.49Å; F706-A732 HydrophobicContact CD2-CB 3.78Å; F706-A732 HydrophobicContact CE2-CB 4.26Å; F706-A732 HydrophobicContact CG-CB 3.9Å; F706-I735 HydrophobicContact CE1-CG2 4.04Å; F706-I735 HydrophobicContact CZ-CG2 4.1Å; F706-M736 HydrophobicContact CE2-CG 4.18Å; F706-M736 HydrophobicContact CE2-SD 3.85Å; F706-M736 HydrophobicContact CZ-CG 4.45Å; F706-M736 HydrophobicContact CZ-SD 3.96Å; F706-L764 HydrophobicContact CD2-CD1 4.08Å; F706-L764 HydrophobicContact CD2-CG 4.04Å; F706-L764 WeakPolarHBondContact CD2-O 3.28Å; F706-L764 HydrophobicContact CE2-CD1 4.08Å; F706-L764 HydrophobicContact CE2-CG 4.34Å; F706-V765 HydrophobicContact CB-CB 4.23Å; F706-V765 HydrophobicContact CB-CG1 3.9Å; F706-V765 HydrophobicContact CB-CG2 3.88Å; F706-V765 WeakPolarHBondContact O-CA 3.46Å; F706-V765 WeakPolarHBondContact O-CG1 3.41Å; F706-T766 PolarHBondContact O-N 2.86Å; F706-T766 VanDerWaalsContact O-N 3.11Å
707L98.4Very high96.3Very high1 Ų137.2 Ų37.21%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-122.2149.9178.5-59.2178.6000111.1F683 A684 V686 T766 F771 F803F683-L707 WeakPolarHBondContact CA-O 3.36Å; F683-L707 WeakPolarHBondContact CD2-O 3.35Å; A684-L707 HydrophobicContact CB-CB 4.45Å; A684-L707 PolarHBondContact N-O 3.45Å; A684-L707 PolarHBondContact O-N 2.86Å; V686-L707 HydrophobicContact CG2-CD1 3.82Å; V686-L707 HydrophobicContact CG2-CG 4.29Å; L707-T766 VanDerWaalsContact CA-O 3.28Å; L707-T766 WeakPolarHBondContact CA-O 3.31Å; L707-F771 HydrophobicContact CD2-CB 3.87Å; L707-F771 HydrophobicContact CD2-CD2 3.97Å; L707-F771 HydrophobicContact CD2-CG 3.92Å; L707-F803 HydrophobicContact CD1-CB 4.46Å; L707-F803 HydrophobicContact CD1-CD2 3.62Å; L707-F803 HydrophobicContact CD1-CE2 4.38Å; L707-F803 HydrophobicContact CD1-CG 4.41Å
708H98.1Very high96.3Very high9 Ų937.7 Ų37.74%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-134.4167.2166.569.572.5000110.2G682 C710 Y728 V765 T766 S767 A768G682-H708 VanDerWaalsContact O-CA 3.31Å; G682-H708 WeakPolarHBondContact O-CA 3.46Å; G682-H708 WeakPolarHBondContact O-CB 3.46Å; H708-C710 WeakPolarHBondContact ND1-CB 3.41Å; H708-C710 PolarHBondContact ND1-N 2.98Å; H708-Y728 HydrophobicContact CB-CD1 4.34Å; H708-Y728 HydrophobicContact CB-CD2 3.76Å; H708-Y728 HydrophobicContact CB-CE2 4.26Å; H708-Y728 HydrophobicContact CB-CG 3.81Å; H708-V765 HydrophobicContact CB-CG1 4.38Å; H708-T766 PolarHBondContact N-O 3.49Å; H708-S767 CarbonylContact O-C 3.53Å; H708-S767 WeakPolarHBondContact O-CA 3.34Å; H708-A768 PolarHBondContact O-N 3.36Å
709D96.5Very high96.1Very high37 Ų3747.2 Ų47.220%0.19826%0.26CS..  trans-125.825.817054.86.1000112.1R678 G682 L799R678-D709 IonicContact CZ-OD1 2.7Å; R678-D709 IonicContact CZ-OD2 3.61Å; R678-D709 IonicContact NH1-OD1 2.66Å; R678-D709 PolarHBondContact NH1-OD1 2.99Å; R678-D709 IonicContact NH1-OD2 3.63Å; R678-D709 PolarHBondContact NH1-OD2 3.31Å; R678-D709 IonicContact NH2-OD1 2.67Å; R678-D709 PolarHBondContact NH2-OD1 3.14Å; R678-D709 IonicContact NH2-OD2 3.72Å; R678-D709 PolarHBondContact NH2-OD2 3.38Å; G682-D709 WeakPolarHBondContact CA-OD1 3.46Å; D709-L799 HydrophobicContact CB-CD1 3.93Å
710C96.6Very high96.1Very high2 Ų248.7 Ų48.71%0.01425%0.25CC..  trans-60126176.7-161.70000114H708 A714 G724 R725 Y728H708-C710 WeakPolarHBondContact ND1-CB 3.41Å; H708-C710 PolarHBondContact ND1-N 2.98Å; C710-A714 VanDerWaalsContact SG-CB 3.59Å; C710-G724 VanDerWaalsContact SG-C 3.54Å; C710-R725 HydrophobicContact CB-CG 4.18Å; C710-R725 PolarHBondContact O-NE 3.13Å; C710-R725 PolarHBondContact O-NH2 3.43Å; C710-Y728 HydrophobicContact CB-CD2 3.73Å; C710-Y728 HydrophobicContact CB-CE2 3.51Å
711P95.4Very high96.2Very high51 Ų5154 Ų5433%0.33127%0.272SS..  trans-57159168.1-2535.6000113H674 D713 A714H674-P711 HydrophobicContact CB-CG 4.31Å; P711-D713 VanDerWaalsContact C-N 3.29Å; P711-D713 WeakPolarHBondContact CB-OD1 3.43Å; P711-D713 PolarHBondContact O-N 2.93Å; P711-A714 HydrophobicContact CB-CB 4.44Å
712M93.8Very high96.3Very high127 Ų12751.3 Ų51.363%0.62626%0.258SS*.THydrogen-bonded Turntrans-71.3-22.2178.6-82.3-66.6-61.800113.7R725M712-R725 PolarHBondContact SD-NE 2.95Å; M712-R725 PolarHBondContact SD-NH1 2.99Å
713D94.9Very high96.3Very high135 Ų13553.9 Ų53.972%0.72227%0.272SS*.THydrogen-bonded Turntrans-1020.8-175.161-34.1000113.2P711P711-D713 VanDerWaalsContact C-N 3.29Å; P711-D713 WeakPolarHBondContact CB-OD1 3.43Å; P711-D713 PolarHBondContact O-N 2.93Å
714A96.2Very high96.2Very high3 Ų352.7 Ų52.73%0.02527%0.265CS..  trans-71.1136.4176.900000111N673 H674 C710 P711 G724N673-A714 WeakPolarHBondContact OD1-CA 3.47Å; H674-A714 HydrophobicContact CB-CB 4.2Å; C710-A714 VanDerWaalsContact SG-CB 3.59Å; P711-A714 HydrophobicContact CB-CB 4.44Å; A714-G724 WeakPolarHBondContact O-CA 3.29Å; A714-G724 PolarHBondContact O-N 3.34Å
715M97.1Very high96.1Very high64 Ų6456.1 Ų56.132%0.31528%0.279SS..BIsolated β-bridgetrans-125.4158178.2-63.1-66.7-90.900109.4N673 E721 I722N673-M715 VanDerWaalsContact CB-O 3.27Å; N673-M715 WeakPolarHBondContact CB-O 3.39Å; N673-M715 PolarHBondContact N-O 3.35Å; N673-M715 PolarHBondContact ND2-N 3.39Å; N673-M715 PolarHBondContact OD1-N 3.48Å; N673-M715 VanDerWaalsContact OD1-N 3.13Å; N673-M715 PolarHBondContact OD1-O 3.02Å; M715-E721 HydrophobicContact CB-CG 3.95Å; M715-E721 HydrophobicContact CE-CG 3.75Å; M715-E721 WeakPolarHBondContact CE-OE2 3.2Å; M715-I722 CarbonylContact C-O 3.49Å; M715-I722 WeakPolarHBondContact CA-O 3.35Å
716T97.6Very high96.1Very high2 Ų259.7 Ų59.71%0.01230%0.295CS..BIsolated β-bridgetrans-84.9146.2176.563.80000112.4Y669 K671 P672 E721 I722 F727Y669-T716 WeakPolarHBondContact O-CB 3.09Å; Y669-T716 PolarHBondContact O-OG1 3.13Å; K671-T716 CarbonylContact O-C 3.58Å; K671-T716 VanDerWaalsContact O-CA 3.3Å; K671-T716 WeakPolarHBondContact O-CA 3.49Å; P672-T716 HydrophobicContact CG-CG2 4.4Å; T716-E721 WeakPolarHBondContact O-CG 3.41Å; T716-I722 HydrophobicContact CG2-CD1 4.42Å; T716-I722 HydrophobicContact CG2-CG1 3.65Å; T716-I722 PolarHBondContact N-O 3.28Å; T716-I722 WeakPolarHBondContact OG1-CG1 3.43Å; T716-I722 PolarHBondContact OG1-N 2.98Å; T716-F727 HydrophobicContact CG2-CB 3.75Å; T716-F727 HydrophobicContact CG2-CD2 3.7Å; T716-F727 HydrophobicContact CG2-CG 3.96Å
717D95.8Very high96Very high97 Ų9759.6 Ų59.652%0.51930%0.295SS..  trans-93.111.8-17168.9-3.6000115.9G670 K671G670-D717 WeakPolarHBondContact CA-OD1 3.16Å; K671-D717 PolarHBondContact N-OD1 3.24Å; K671-D717 PolarHBondContact O-N 2.96Å
718G93.6Very high96Very high26 Ų2659.5 Ų59.527%0.26829%0.294SS..SBendtrans-93.7179.3-178.900000113.7Y669 R720Y669-G718 VanDerWaalsContact O-CA 3.3Å; Y669-G718 WeakPolarHBondContact O-CA 3.38Å; Y669-G718 PolarHBondContact O-N 3.46Å; G718-R720 PolarHBondContact O-N 3.07Å; G718-R720 VanDerWaalsContact O-N 3.08Å
719E90.6Very high96Very high213 Ų21361 Ų61100%0.99530%0.303SS*.SBendtrans-56.8-30-179.2-61.9-171.6164.300113.4
720R93.9Very high96.1Very high139 Ų13963 Ų6353%0.52531%0.307SS..SBendtrans-110.385.3174.9-171.1174.9-178.4162.43.7110.3Y669 G718 I722Y669-R720 HydrophobicContact CD1-CB 4.3Å; Y669-R720 HydrophobicContact CD1-CG 4.2Å; Y669-R720 HydrophobicContact CE1-CG 4.33Å; G718-R720 PolarHBondContact O-N 3.07Å; G718-R720 VanDerWaalsContact O-N 3.08Å; R720-I722 PolarHBondContact O-N 2.86Å
721E96.2Very high96.2Very high126 Ų12663 Ų6359%0.58931%0.307SS*.  trans-62.1129.6175.8-173.1179.6-111.200111.5M715 T716M715-E721 HydrophobicContact CB-CG 3.95Å; M715-E721 HydrophobicContact CE-CG 3.75Å; M715-E721 WeakPolarHBondContact CE-OE2 3.2Å; T716-E721 WeakPolarHBondContact O-CG 3.41Å
722I97.2Very high96.3Very high16 Ų1660.5 Ų60.58%0.08229%0.291CS..  trans-136.6163.5172.962.7169.6000110.6Y669 M715 T716 R720 F727Y669-I722 HydrophobicContact CD1-CD1 3.72Å; Y669-I722 HydrophobicContact CD1-CG1 4.08Å; Y669-I722 HydrophobicContact CD1-CG2 3.96Å; Y669-I722 HydrophobicContact CD2-CD1 4.04Å; Y669-I722 HydrophobicContact CE1-CD1 4.07Å; Y669-I722 HydrophobicContact CE1-CG2 4.14Å; Y669-I722 HydrophobicContact CE2-CD1 4.38Å; Y669-I722 HydrophobicContact CG-CD1 3.7Å; Y669-I722 HydrophobicContact CG-CG1 4.2Å; M715-I722 CarbonylContact C-O 3.49Å; M715-I722 WeakPolarHBondContact CA-O 3.35Å; T716-I722 HydrophobicContact CG2-CD1 4.42Å; T716-I722 HydrophobicContact CG2-CG1 3.65Å; T716-I722 PolarHBondContact N-O 3.28Å; T716-I722 WeakPolarHBondContact OG1-CG1 3.43Å; T716-I722 PolarHBondContact OG1-N 2.98Å; R720-I722 PolarHBondContact O-N 2.86Å; I722-F727 HydrophobicContact CD1-CB 4Å; I722-F727 HydrophobicContact CG1-CB 4.43Å
723D97.3Very high96.5Very high53 Ų5359.3 Ų59.328%0.28328%0.284SS..BIsolated β-bridgetrans-57.8136.5171.2170.8-88000111.5R725 Q726 F727D723-R725 VanDerWaalsContact C-N 3.33Å; D723-R725 PolarHBondContact O-N 2.94Å; D723-R725 WeakPolarHBondContact OD1-CA 3.36Å; D723-R725 VanDerWaalsContact OD1-CB 3.25Å; D723-R725 WeakPolarHBondContact OD1-CB 3.4Å; D723-R725 PolarHBondContact OD1-N 3.17Å; D723-Q726 HydrophobicContact CB-CB 4.01Å; D723-Q726 CarbonylContact O-C 3.59Å; D723-Q726 WeakPolarHBondContact O-CA 3.32Å; D723-Q726 WeakPolarHBondContact O-CB 3.49Å; D723-Q726 PolarHBondContact O-N 2.71Å; D723-Q726 VanDerWaalsContact O-N 3.1Å; D723-Q726 PolarHBondContact OD1-N 3.16Å; D723-F727 PolarHBondContact O-N 2.9Å
724G96.2Very high96.6Very high0 Ų056.1 Ų56.10%026%0.261CS..Hα-helixtrans-62.9-34.7-176.200000113.5C710 A714 F727 Y728C710-G724 VanDerWaalsContact SG-C 3.54Å; A714-G724 WeakPolarHBondContact O-CA 3.29Å; A714-G724 PolarHBondContact O-N 3.34Å; G724-F727 WeakPolarHBondContact O-CB 3.41Å; G724-F727 PolarHBondContact O-N 3.26Å; G724-Y728 WeakPolarHBondContact O-CD2 3.31Å; G724-Y728 PolarHBondContact O-N 2.95Å
725R96.3Very high96.7Very high73 Ų7356 Ų5628%0.27526%0.26SS..Hα-helixtrans-71.1-36.8174.3-56-173.5169.4-163.7-2110.9C710 M712 D723 F727 Y728 L729C710-R725 HydrophobicContact CB-CG 4.18Å; C710-R725 PolarHBondContact O-NE 3.13Å; C710-R725 PolarHBondContact O-NH2 3.43Å; M712-R725 PolarHBondContact SD-NE 2.95Å; M712-R725 PolarHBondContact SD-NH1 2.99Å; D723-R725 VanDerWaalsContact C-N 3.33Å; D723-R725 PolarHBondContact O-N 2.94Å; D723-R725 WeakPolarHBondContact OD1-CA 3.36Å; D723-R725 VanDerWaalsContact OD1-CB 3.25Å; D723-R725 WeakPolarHBondContact OD1-CB 3.4Å; D723-R725 PolarHBondContact OD1-N 3.17Å; R725-F727 VanDerWaalsContact C-N 3.29Å; R725-F727 PolarHBondContact O-N 3.25Å; R725-Y728 PolarHBondContact O-N 3.5Å; R725-L729 PolarHBondContact O-N 2.89Å
726Q97Very high96.7Very high77 Ų7755 Ų5536%0.3626%0.255SS..Hα-helixtrans-62.7-36172.1-169.1179.256.800111.9D723 L729 R730D723-Q726 HydrophobicContact CB-CB 4.01Å; D723-Q726 CarbonylContact O-C 3.59Å; D723-Q726 WeakPolarHBondContact O-CA 3.32Å; D723-Q726 WeakPolarHBondContact O-CB 3.49Å; D723-Q726 PolarHBondContact O-N 2.71Å; D723-Q726 VanDerWaalsContact O-N 3.1Å; D723-Q726 PolarHBondContact OD1-N 3.16Å; Q726-L729 PolarHBondContact O-N 2.9Å; Q726-R730 WeakPolarHBondContact O-CG 3.33Å; Q726-R730 PolarHBondContact O-N 3.17Å
727F98.3Very high96.6Very high0 Ų058.6 Ų58.60%027%0.272CS..Hα-helixtrans-58.3-50.9172.3175.8-85.5000111.4W662 M665 V666 Y669 G670 P672 T716 I722 D723 G724 R725 L729 R730 L731W662-F727 HydrophobicContact CE3-CE1 4.14Å; W662-F727 HydrophobicContact CE3-CZ 4.35Å; W662-F727 HydrophobicContact CH2-CE1 4.06Å; W662-F727 HydrophobicContact CH2-CZ 4.37Å; W662-F727 AromaticContact CZ3-CE1 3.64Å; W662-F727 HydrophobicContact CZ3-CE1 3.64Å; W662-F727 HydrophobicContact CZ3-CZ 4.13Å; M665-F727 HydrophobicContact CB-CD2 4.37Å; M665-F727 HydrophobicContact CB-CE2 3.56Å; M665-F727 HydrophobicContact CB-CZ 3.69Å; V666-F727 HydrophobicContact CG2-CZ 4.13Å; Y669-F727 HydrophobicContact CD2-CD2 4.43Å; G670-F727 WeakPolarHBondContact O-CE2 3.44Å; P672-F727 HydrophobicContact CG-CB 4.21Å; P672-F727 HydrophobicContact CG-CD1 3.46Å; P672-F727 VanDerWaalsContact CG-CD1 3.46Å; P672-F727 HydrophobicContact CG-CD2 4.49Å; P672-F727 HydrophobicContact CG-CE1 3.9Å; P672-F727 HydrophobicContact CG-CG 3.81Å; T716-F727 HydrophobicContact CG2-CB 3.75Å; T716-F727 HydrophobicContact CG2-CD2 3.7Å; T716-F727 HydrophobicContact CG2-CG 3.96Å; I722-F727 HydrophobicContact CD1-CB 4Å; I722-F727 HydrophobicContact CG1-CB 4.43Å; D723-F727 PolarHBondContact O-N 2.9Å; G724-F727 WeakPolarHBondContact O-CB 3.41Å; G724-F727 PolarHBondContact O-N 3.26Å; R725-F727 VanDerWaalsContact C-N 3.29Å; R725-F727 PolarHBondContact O-N 3.25Å; F727-L729 VanDerWaalsContact C-N 3.33Å; F727-L729 PolarHBondContact O-N 2.87Å; F727-R730 PolarHBondContact O-N 2.88Å; F727-L731 PolarHBondContact O-N 3.24Å
728Y98.2Very high96.7Very high0 Ų054 Ų540%025%0.248CC..Hα-helixtrans-64.9-35.8179-68.7-64.2000113.1W662 P672 H674 R681 F683 H708 C710 G724 R725 R730 L731 A732W662-Y728 HydrophobicContact CZ3-CE1 4.18Å; P672-Y728 HydrophobicContact CB-CE2 4.45Å; P672-Y728 HydrophobicContact CG-CE2 4.03Å; H674-Y728 AromaticContact CE1-CE2 3.84Å; H674-Y728 PolarHBondContact CE1-OH 3.08Å; H674-Y728 VanDerWaalsContact CE1-OH 3.23Å; R681-Y728 VanDerWaalsContact O-CE1 3.26Å; R681-Y728 WeakPolarHBondContact O-CE1 3.23Å; R681-Y728 PolarHBondContact O-OH 3.39Å; F683-Y728 HydrophobicContact CB-CD1 3.88Å; F683-Y728 HydrophobicContact CB-CE1 3.73Å; F683-Y728 AromaticContact CD2-CD1 3.61Å; F683-Y728 HydrophobicContact CD2-CD1 3.61Å; F683-Y728 HydrophobicContact CD2-CE1 4.35Å; F683-Y728 HydrophobicContact CD2-CG 4.33Å; F683-Y728 HydrophobicContact CG-CD1 4.11Å; F683-Y728 HydrophobicContact CG-CE1 4.46Å; H708-Y728 HydrophobicContact CB-CD1 4.34Å; H708-Y728 HydrophobicContact CB-CD2 3.76Å; H708-Y728 HydrophobicContact CB-CE2 4.26Å; H708-Y728 HydrophobicContact CB-CG 3.81Å; C710-Y728 HydrophobicContact CB-CD2 3.73Å; C710-Y728 HydrophobicContact CB-CE2 3.51Å; G724-Y728 WeakPolarHBondContact O-CD2 3.31Å; G724-Y728 PolarHBondContact O-N 2.95Å; R725-Y728 PolarHBondContact O-N 3.5Å; Y728-R730 PolarHBondContact O-N 3.14Å; Y728-L731 HydrophobicContact CD1-CD2 4.16Å; Y728-L731 WeakPolarHBondContact O-CB 3.44Å; Y728-L731 PolarHBondContact O-N 2.93Å; Y728-A732 PolarHBondContact O-N 3.07Å
729L97.8Very high96.8Very high41 Ų4152.8 Ų52.822%0.21524%0.235CC..Hα-helixtrans-59.5-45.9172.4179.763.3000111.6R725 Q726 F727 A732 Q733 M763 L764 V765R725-L729 PolarHBondContact O-N 2.89Å; Q726-L729 PolarHBondContact O-N 2.9Å; F727-L729 VanDerWaalsContact C-N 3.33Å; F727-L729 PolarHBondContact O-N 2.87Å; L729-A732 PolarHBondContact O-N 2.89Å; L729-Q733 WeakPolarHBondContact O-CG 3.49Å; L729-Q733 PolarHBondContact O-N 2.62Å; L729-M763 HydrophobicContact CD2-CE 4.47Å; L729-L764 HydrophobicContact CD1-CB 3.91Å; L729-V765 HydrophobicContact CD1-CG2 4.5Å
730R97.8Very high97Very high79 Ų7945.5 Ų45.530%0.29821%0.208SC..Hα-helixtrans-67.1-37177.1-70.5-179.9-175.7-70.1-5.3112.2M665 Q726 F727 Y728 Q733 R734M665-R730 HydrophobicContact SD-CB 3.94Å; Q726-R730 WeakPolarHBondContact O-CG 3.33Å; Q726-R730 PolarHBondContact O-N 3.17Å; F727-R730 PolarHBondContact O-N 2.88Å; Y728-R730 PolarHBondContact O-N 3.14Å; R730-Q733 PolarHBondContact O-N 2.88Å; R730-R734 WeakPolarHBondContact O-CB 3.46Å; R730-R734 PolarHBondContact O-N 3.27Å
731L98.3Very high97Very high0 Ų040.8 Ų40.80%019%0.194CC..Hα-helixtrans-59.3-49.6173.817865.7000110.9A661 W662 M665 F683 F727 Y728 Q733 R734 I735A661-L731 HydrophobicContact CB-CD1 3.67Å; W662-L731 HydrophobicContact CB-CD1 4.46Å; W662-L731 HydrophobicContact CE3-CD2 3.85Å; W662-L731 HydrophobicContact CZ3-CD2 4.17Å; M665-L731 HydrophobicContact CG-CB 4.23Å; M665-L731 HydrophobicContact CG-CD1 4.02Å; F683-L731 HydrophobicContact CB-CD2 4.33Å; F683-L731 HydrophobicContact CD1-CD2 3.94Å; F683-L731 HydrophobicContact CD2-CD2 4.03Å; F683-L731 HydrophobicContact CE1-CD2 4.19Å; F683-L731 HydrophobicContact CE2-CD2 4.26Å; F683-L731 HydrophobicContact CG-CD2 3.83Å; F683-L731 HydrophobicContact CZ-CD2 4.33Å; F727-L731 PolarHBondContact O-N 3.24Å; Y728-L731 HydrophobicContact CD1-CD2 4.16Å; Y728-L731 WeakPolarHBondContact O-CB 3.44Å; Y728-L731 PolarHBondContact O-N 2.93Å; L731-Q733 PolarHBondContact O-N 2.9Å; L731-R734 WeakPolarHBondContact O-CB 3.48Å; L731-R734 PolarHBondContact O-N 3.23Å; L731-R734 VanDerWaalsContact O-N 3.15Å; L731-I735 HydrophobicContact CD1-CD1 4.33Å; L731-I735 HydrophobicContact CG-CD1 4Å; L731-I735 WeakPolarHBondContact O-CG1 3.47Å; L731-I735 PolarHBondContact O-N 3.45Å
732A98Very high96.8Very high0 Ų043.5 Ų43.50%020%0.199CC..Hα-helixtrans-63.7-39.9177.400000112.6F683 F706 Y728 L729 R734 I735 M736 L764 V765F683-A732 HydrophobicContact CE2-CB 4.43Å; F683-A732 HydrophobicContact CZ-CB 4.28Å; F706-A732 HydrophobicContact CB-CB 4.22Å; F706-A732 HydrophobicContact CD1-CB 4.49Å; F706-A732 HydrophobicContact CD2-CB 3.78Å; F706-A732 HydrophobicContact CE2-CB 4.26Å; F706-A732 HydrophobicContact CG-CB 3.9Å; Y728-A732 PolarHBondContact O-N 3.07Å; L729-A732 PolarHBondContact O-N 2.89Å; A732-R734 VanDerWaalsContact C-N 3.3Å; A732-R734 PolarHBondContact O-N 3.02Å; A732-I735 PolarHBondContact O-N 3.24Å; A732-M736 VanDerWaalsContact O-CG 3.31Å; A732-M736 WeakPolarHBondContact O-CG 3.39Å; A732-M736 PolarHBondContact O-N 2.87Å; A732-L764 HydrophobicContact CB-CD2 3.8Å; A732-L764 HydrophobicContact CB-CG 4.01Å; A732-V765 HydrophobicContact CB-CG2 3.19Å
733Q97.6Very high96.4Very high101 Ų10143.9 Ų43.947%0.47220%0.202SC..Hα-helixtrans-60.1-40.6172.9-73.5174.5-1700111.9L729 R730 L731 M736 H737 L764L729-Q733 WeakPolarHBondContact O-CG 3.49Å; L729-Q733 PolarHBondContact O-N 2.62Å; R730-Q733 PolarHBondContact O-N 2.88Å; L731-Q733 PolarHBondContact O-N 2.9Å; Q733-M736 PolarHBondContact O-N 3.19Å; Q733-H737 PolarHBondContact O-N 3.24Å; Q733-L764 HydrophobicContact CG-CD2 3.83Å
734R97.3Very high95.8Very high68 Ų6846.9 Ų46.926%0.25723%0.227SC..Hα-helixtrans-65.8-45.6175.8-176.65864.8162.1-4.2111E610 A661 M665 R730 L731 A732 M736 H737 L738E610-R734 IonicContact OE1-NH1 3.53Å; E610-R734 IonicContact OE2-CZ 3.08Å; E610-R734 IonicContact OE2-NH1 3.14Å; E610-R734 PolarHBondContact OE2-NH1 3.43Å; A661-R734 HydrophobicContact CB-CB 4.13Å; A661-R734 HydrophobicContact CB-CG 3.73Å; M665-R734 HydrophobicContact CE-CB 4.26Å; M665-R734 HydrophobicContact CE-CG 4.21Å; R730-R734 WeakPolarHBondContact O-CB 3.46Å; R730-R734 PolarHBondContact O-N 3.27Å; L731-R734 WeakPolarHBondContact O-CB 3.48Å; L731-R734 PolarHBondContact O-N 3.23Å; L731-R734 VanDerWaalsContact O-N 3.15Å; A732-R734 VanDerWaalsContact C-N 3.3Å; A732-R734 PolarHBondContact O-N 3.02Å; R734-M736 VanDerWaalsContact C-N 3.34Å; R734-M736 PolarHBondContact O-N 3.44Å; R734-H737 WeakPolarHBondContact O-CA 3.49Å; R734-H737 WeakPolarHBondContact O-CB 3.27Å; R734-H737 PolarHBondContact O-N 2.93Å; R734-L738 HydrophobicContact CG-CD1 4.25Å; R734-L738 HydrophobicContact CG-CG 4.25Å; R734-L738 WeakPolarHBondContact O-CG 3.2Å; R734-L738 PolarHBondContact O-N 3.28Å
735I98.2Very high95.4Very high1 Ų147.1 Ų47.11%0.00523%0.229CC..Hα-helixtrans-54.5-49.7175.4-70.6163.2000110.8V657 V658 A661 F683 F706 L731 A732 H737 L738 F739V657-I735 HydrophobicContact CG1-CB 4.35Å; V657-I735 HydrophobicContact CG1-CG1 4.39Å; V657-I735 HydrophobicContact CG1-CG2 3.96Å; V658-I735 HydrophobicContact CB-CD1 4.37Å; V658-I735 HydrophobicContact CG1-CD1 4.26Å; V658-I735 HydrophobicContact CG2-CD1 3.73Å; V658-I735 HydrophobicContact CG2-CG1 4.29Å; A661-I735 HydrophobicContact CB-CG1 3.68Å; F683-I735 HydrophobicContact CE1-CD1 3.55Å; F683-I735 HydrophobicContact CZ-CD1 3.81Å; F706-I735 HydrophobicContact CE1-CG2 4.04Å; F706-I735 HydrophobicContact CZ-CG2 4.1Å; L731-I735 HydrophobicContact CD1-CD1 4.33Å; L731-I735 HydrophobicContact CG-CD1 4Å; L731-I735 WeakPolarHBondContact O-CG1 3.47Å; L731-I735 PolarHBondContact O-N 3.45Å; A732-I735 PolarHBondContact O-N 3.24Å; I735-H737 VanDerWaalsContact C-N 3.28Å; I735-H737 PolarHBondContact O-N 3.45Å; I735-L738 PolarHBondContact O-N 3.26Å; I735-F739 HydrophobicContact CG2-CD2 3.75Å; I735-F739 HydrophobicContact CG2-CE2 3.58Å; I735-F739 VanDerWaalsContact O-CD2 3.24Å; I735-F739 WeakPolarHBondContact O-CD2 3.5Å; I735-F739 PolarHBondContact O-N 3.43Å; I735-F739 VanDerWaalsContact O-N 3.14Å
736M96.9Very high95.1Very high42 Ų4243.9 Ų43.921%0.20722%0.218CC..Hα-helixtrans-57.4-40.8176.3-67.4-62.3-65.800112.2F706 A732 Q733 R734 S740 V751 L764F706-M736 HydrophobicContact CE2-CG 4.18Å; F706-M736 HydrophobicContact CE2-SD 3.85Å; F706-M736 HydrophobicContact CZ-CG 4.45Å; F706-M736 HydrophobicContact CZ-SD 3.96Å; A732-M736 VanDerWaalsContact O-CG 3.31Å; A732-M736 WeakPolarHBondContact O-CG 3.39Å; A732-M736 PolarHBondContact O-N 2.87Å; Q733-M736 PolarHBondContact O-N 3.19Å; R734-M736 VanDerWaalsContact C-N 3.34Å; R734-M736 PolarHBondContact O-N 3.44Å; M736-S740 WeakPolarHBondContact O-CB 3.28Å; M736-S740 PolarHBondContact O-N 3.35Å; M736-S740 VanDerWaalsContact O-N 3.16Å; M736-S740 PolarHBondContact O-OG 3.34Å; M736-V751 HydrophobicContact CE-CB 3.85Å; M736-V751 HydrophobicContact CE-CG1 3.77Å; M736-V751 HydrophobicContact SD-CB 3.99Å; M736-V751 HydrophobicContact SD-CG1 3.46Å; M736-V751 WeakPolarHBondContact SD-CG1 3.49Å; M736-L764 HydrophobicContact CG-CD1 4.48Å; M736-L764 HydrophobicContact CG-CD2 4.17Å
737H96.4Very high95.1Very high79 Ų7941.7 Ų41.737%0.36621%0.209SC..Hα-helixtrans-63.9-49.9176.7178.571.6000112.1Q733 R734 I735 F739 S740 T741Q733-H737 PolarHBondContact O-N 3.24Å; R734-H737 WeakPolarHBondContact O-CA 3.49Å; R734-H737 WeakPolarHBondContact O-CB 3.27Å; R734-H737 PolarHBondContact O-N 2.93Å; I735-H737 VanDerWaalsContact C-N 3.28Å; I735-H737 PolarHBondContact O-N 3.45Å; H737-F739 PolarHBondContact O-N 3.21Å; H737-S740 PolarHBondContact O-N 3.04Å; H737-T741 PolarHBondContact CE1-OG1 2.97Å; H737-T741 PolarHBondContact ND1-OG1 3.02Å; H737-T741 PolarHBondContact NE2-OG1 3.44Å; H737-T741 WeakPolarHBondContact O-CB 3.47Å; H737-T741 PolarHBondContact O-N 2.88Å; H737-T741 PolarHBondContact O-OG1 3.45Å
738L96.8Very high95Very high1 Ų141.7 Ų41.71%0.00521%0.209CC..Hα-helixtrans-61.3-34.4-178-58.2178.7000112.1E610 L614 R618 V657 Q660 A661 R734 I735E610-L738 HydrophobicContact CG-CD2 4.23Å; E610-L738 WeakPolarHBondContact OE2-CD2 3.44Å; L614-L738 HydrophobicContact CD1-CB 4.32Å; L614-L738 HydrophobicContact CD1-CD2 3.55Å; L614-L738 HydrophobicContact CD1-CG 4.39Å; L614-L738 HydrophobicContact CD2-CD2 4.45Å; R618-L738 PolarHBondContact NH2-O 3.19Å; V657-L738 HydrophobicContact CG1-CB 3.94Å; V657-L738 HydrophobicContact CG1-CD1 4.11Å; Q660-L738 HydrophobicContact CB-CD1 4.11Å; Q660-L738 HydrophobicContact CG-CD1 4.09Å; A661-L738 HydrophobicContact CB-CD1 3.89Å; R734-L738 HydrophobicContact CG-CD1 4.25Å; R734-L738 HydrophobicContact CG-CG 4.25Å; R734-L738 WeakPolarHBondContact O-CG 3.2Å; R734-L738 PolarHBondContact O-N 3.28Å; I735-L738 PolarHBondContact O-N 3.26Å
739F97.5Very high95Very high0 Ų042.1 Ų42.10%021%0.21CC..Hα-helixtrans-68.1-45.6174.3-82-61.7000113.6I654 V657 L702 L704 I735 H737 L748 Y749 V751I654-F739 HydrophobicContact CB-CZ 4.46Å; I654-F739 HydrophobicContact CG1-CZ 3.82Å; V657-F739 HydrophobicContact CB-CE1 4.36Å; V657-F739 HydrophobicContact CB-CE2 4.09Å; V657-F739 HydrophobicContact CB-CZ 3.9Å; V657-F739 HydrophobicContact CG1-CD2 3.95Å; V657-F739 HydrophobicContact CG1-CE2 3.69Å; V657-F739 HydrophobicContact CG1-CZ 4.02Å; V657-F739 HydrophobicContact CG2-CD1 4.26Å; V657-F739 HydrophobicContact CG2-CE1 3.82Å; V657-F739 HydrophobicContact CG2-CE2 4.36Å; V657-F739 HydrophobicContact CG2-CZ 3.88Å; L702-F739 HydrophobicContact CD1-CE1 4.4Å; L704-F739 HydrophobicContact CD1-CE2 4.3Å; I735-F739 HydrophobicContact CG2-CD2 3.75Å; I735-F739 HydrophobicContact CG2-CE2 3.58Å; I735-F739 VanDerWaalsContact O-CD2 3.24Å; I735-F739 WeakPolarHBondContact O-CD2 3.5Å; I735-F739 PolarHBondContact O-N 3.43Å; I735-F739 VanDerWaalsContact O-N 3.14Å; H737-F739 PolarHBondContact O-N 3.21Å; F739-L748 HydrophobicContact CD1-CB 4.14Å; F739-L748 HydrophobicContact CD1-CD2 3.66Å; F739-L748 HydrophobicContact CD1-CG 3.93Å; F739-L748 HydrophobicContact CE1-CD2 3.77Å; F739-L748 HydrophobicContact CE1-CG 4.22Å; F739-L748 PolarHBondContact O-N 2.76Å; F739-Y749 PolarHBondContact O-N 3.35Å; F739-V751 HydrophobicContact CB-CG2 3.67Å; F739-V751 HydrophobicContact CD1-CG2 4.29Å; F739-V751 HydrophobicContact CD2-CG2 3.75Å; F739-V751 HydrophobicContact CE2-CG2 4.45Å; F739-V751 HydrophobicContact CG-CG2 3.66Å
740S93.5Very high94.9Very high60 Ų6045 Ų4542%0.4222%0.223SC..Hα-helixtrans-93.9-17.9-167.759.20000115.2M736 H737 R742 I747M736-S740 WeakPolarHBondContact O-CB 3.28Å; M736-S740 PolarHBondContact O-N 3.35Å; M736-S740 VanDerWaalsContact O-N 3.16Å; M736-S740 PolarHBondContact O-OG 3.34Å; H737-S740 PolarHBondContact O-N 3.04Å; S740-R742 PolarHBondContact O-N 2.91Å; S740-I747 VanDerWaalsContact O-CG2 3.26Å; S740-I747 WeakPolarHBondContact O-CG2 3.42Å
741T93.4Very high94.9Very high39 Ų3942.4 Ų42.424%0.23922%0.216CC..  trans-58.2136.9177.6-68.40000110.8L614 R618 H737L614-T741 HydrophobicContact CD2-CG2 3.97Å; R618-T741 PolarHBondContact NE-O 3.22Å; R618-T741 PolarHBondContact NH2-O 3.02Å; H737-T741 PolarHBondContact CE1-OG1 2.97Å; H737-T741 PolarHBondContact ND1-OG1 3.02Å; H737-T741 PolarHBondContact NE2-OG1 3.44Å; H737-T741 WeakPolarHBondContact O-CB 3.47Å; H737-T741 PolarHBondContact O-N 2.88Å; H737-T741 PolarHBondContact O-OG1 3.45Å
742R92.3Very high94.8Very high183 Ų18343.6 Ų43.669%0.69122%0.222SC*.  trans-93.2122.5177.9-177.5173.8-66.4-83.1-4.4110.2S740 G746 I747S740-R742 PolarHBondContact O-N 2.91Å; R742-G746 WeakPolarHBondContact CA-O 3.48Å; R742-I747 HydrophobicContact CB-CG2 4.15Å
743T88.6Confident94.7Very high24 Ų2444 Ų4415%0.14723%0.225CC..BIsolated β-bridgetrans-108.1-173.416872.20000110L614 E615 R618 S745 G746L614-T743 HydrophobicContact CB-CG2 4.01Å; E615-T743 VanDerWaalsContact OE2-CB 3.29Å; E615-T743 WeakPolarHBondContact OE2-CB 3.41Å; E615-T743 PolarHBondContact OE2-OG1 2.96Å; R618-T743 WeakPolarHBondContact CD-OG1 3.46Å; T743-S745 PolarHBondContact O-N 3.42Å; T743-S745 PolarHBondContact OG1-N 3.41Å; T743-G746 PolarHBondContact N-O 2.98Å; T743-G746 PolarHBondContact O-N 3.49Å
744S84.5Confident94.6Very high116 Ų11647.2 Ų47.281%0.81123%0.233SC*.THydrogen-bonded Turntrans-52.7-36.9173.2-62.90000112.9G746S744-G746 VanDerWaalsContact C-N 3.34Å; S744-G746 PolarHBondContact O-N 3.15Å
745S88.1Confident94.4Very high5 Ų546.1 Ų46.14%0.03523%0.232CC..THydrogen-bonded Turntrans-92.222.2176.4-66.60000114.5Y572 E615 T743Y572-S745 VanDerWaalsContact CE1-O 3.29Å; Y572-S745 WeakPolarHBondContact CE1-O 3.28Å; E615-S745 VanDerWaalsContact OE1-CB 3.29Å; E615-S745 WeakPolarHBondContact OE1-CB 3.06Å; E615-S745 PolarHBondContact OE1-OG 2.97Å; E615-S745 PolarHBondContact OE2-N 3.34Å; E615-S745 VanDerWaalsContact OE2-N 3.14Å; T743-S745 PolarHBondContact O-N 3.42Å; T743-S745 PolarHBondContact OG1-N 3.41Å
746G90.8Very high94.3Very high5 Ų547.5 Ų47.55%0.05224%0.237CC..BIsolated β-bridgetrans86.1-145.4174.600000113.8R618 R742 T743 S744R618-G746 VanDerWaalsContact CD-O 3.24Å; R618-G746 WeakPolarHBondContact CD-O 3.2Å; R618-G746 PolarHBondContact NE-O 2.68Å; R742-G746 WeakPolarHBondContact CA-O 3.48Å; T743-G746 PolarHBondContact N-O 2.98Å; T743-G746 PolarHBondContact O-N 3.49Å; S744-G746 VanDerWaalsContact C-N 3.34Å; S744-G746 PolarHBondContact O-N 3.15Å
747I95.9Very high94.3Very high32 Ų3246 Ų4616%0.16423%0.23CC..  trans-106.3160.517664.7171.3000109.5S740 R742 E750S740-I747 VanDerWaalsContact O-CG2 3.26Å; S740-I747 WeakPolarHBondContact O-CG2 3.42Å; R742-I747 HydrophobicContact CB-CG2 4.15Å; I747-E750 HydrophobicContact CD1-CG 3.65Å; I747-E750 WeakPolarHBondContact CD1-OE1 3.46Å
748L97Very high94.2Very high0 Ų045.3 Ų45.30%024%0.235CC..SBendtrans-78.2-59.6180-17659.5000110.8L617 R618 K621 M653 V657 F739L617-L748 HydrophobicContact CB-CD1 4.17Å; L617-L748 HydrophobicContact CB-CD2 4.23Å; L617-L748 HydrophobicContact CD1-CD2 4.23Å; R618-L748 HydrophobicContact CG-CB 4.25Å; R618-L748 HydrophobicContact CG-CD1 4.39Å; K621-L748 HydrophobicContact CB-CD1 4.05Å; K621-L748 HydrophobicContact CD-CD1 4.09Å; K621-L748 WeakPolarHBondContact CD-O 3.46Å; K621-L748 WeakPolarHBondContact CE-O 3.41Å; K621-L748 PolarHBondContact NZ-O 2.84Å; M653-L748 HydrophobicContact CG-CD1 4.36Å; M653-L748 HydrophobicContact SD-CD1 4.1Å; V657-L748 HydrophobicContact CG2-CD2 3.46Å; V657-L748 VanDerWaalsContact CG2-CD2 3.46Å; F739-L748 HydrophobicContact CD1-CB 4.14Å; F739-L748 HydrophobicContact CD1-CD2 3.66Å; F739-L748 HydrophobicContact CD1-CG 3.93Å; F739-L748 HydrophobicContact CE1-CD2 3.77Å; F739-L748 HydrophobicContact CE1-CG 4.22Å; F739-L748 PolarHBondContact O-N 2.76Å
749Y98Very high94Very high9 Ų946 Ų464%0.03524%0.242CC..  trans-148.6147.8170.4-84.6-89000108.9K621 M653 L702 F739K621-Y749 HydrophobicContact CD-CD2 3.99Å; K621-Y749 HydrophobicContact CD-CE2 3.52Å; K621-Y749 VanDerWaalsContact CE-CZ 3.41Å; K621-Y749 HydrophobicContact CG-CE2 4.2Å; K621-Y749 VanDerWaalsContact NZ-CE1 3.28Å; M653-Y749 HydrophobicContact CB-CE2 4.44Å; M653-Y749 HydrophobicContact CG-CE2 4.12Å; L702-Y749 HydrophobicContact CD1-CD1 3.96Å; L702-Y749 HydrophobicContact CD1-CD2 3.92Å; L702-Y749 HydrophobicContact CD1-CG 3.62Å; L702-Y749 HydrophobicContact CD2-CD1 3.91Å; L702-Y749 HydrophobicContact CD2-CE1 4.06Å; L702-Y749 HydrophobicContact CD2-CG 4.44Å; L702-Y749 HydrophobicContact CG-CD1 3.69Å; L702-Y749 HydrophobicContact CG-CE1 4.33Å; L702-Y749 HydrophobicContact CG-CG 3.83Å; F739-Y749 PolarHBondContact O-N 3.35Å
750E96.8Very high93.6Very high101 Ų10149.9 Ų49.947%0.47228%0.275SS..  trans-71.3132.9160.8-66.4-66.5178.700108.1D701 L702 I747D701-E750 WeakPolarHBondContact CA-O 3.48Å; D701-E750 HydrophobicContact CB-CB 4.29Å; D701-E750 WeakPolarHBondContact OD1-CB 3.4Å; L702-E750 PolarHBondContact N-O 3.17Å; I747-E750 HydrophobicContact CD1-CG 3.65Å; I747-E750 WeakPolarHBondContact CD1-OE1 3.46Å
751V96.9Very high93.5Very high25 Ų2551.8 Ų51.815%0.15229%0.293CS..EExtended strand (participates in β ladder)trans-118.8122.9-177.8-179.60000109.4L702 L704 M736 F739L702-V751 WeakPolarHBondContact O-CA 3.33Å; L704-V751 HydrophobicContact CB-CG1 3.97Å; L704-V751 HydrophobicContact CD1-CG1 3.78Å; L704-V751 HydrophobicContact CD1-CG2 4.37Å; L704-V751 HydrophobicContact CG-CG1 3.93Å; M736-V751 HydrophobicContact CE-CB 3.85Å; M736-V751 HydrophobicContact CE-CG1 3.77Å; M736-V751 HydrophobicContact SD-CB 3.99Å; M736-V751 HydrophobicContact SD-CG1 3.46Å; M736-V751 WeakPolarHBondContact SD-CG1 3.49Å; F739-V751 HydrophobicContact CB-CG2 3.67Å; F739-V751 HydrophobicContact CD1-CG2 4.29Å; F739-V751 HydrophobicContact CD2-CG2 3.75Å; F739-V751 HydrophobicContact CE2-CG2 4.45Å; F739-V751 HydrophobicContact CG-CG2 3.66Å
752D96.7Very high93.5Very high24 Ų2450.6 Ų50.613%0.12829%0.289CS..EExtended strand (participates in β ladder)trans-104.3112.2175.4-173.1-0.3000110.9L702 D703 L704 R754L702-D752 PolarHBondContact O-N 2.68Å; D703-D752 CarbonylContact C-O 3.45Å; D703-D752 VanDerWaalsContact CA-O 3.29Å; D703-D752 WeakPolarHBondContact CA-O 3.46Å; L704-D752 PolarHBondContact N-O 2.94Å; D752-R754 WeakPolarHBondContact OD1-CB 3.32Å; D752-R754 WeakPolarHBondContact OD1-CG 3.11Å; D752-R754 IonicContact OD1-CZ 3.89Å; D752-R754 PolarHBondContact OD1-N 3.42Å; D752-R754 IonicContact OD1-NE 2.66Å; D752-R754 PolarHBondContact OD1-NE 3.22Å; D752-R754 IonicContact OD1-NH2 3.33Å; D752-R754 IonicContact OD2-CZ 2.99Å; D752-R754 IonicContact OD2-NE 3.82Å; D752-R754 PolarHBondContact OD2-NE 2.98Å; D752-R754 IonicContact OD2-NH2 3.03Å; D752-R754 PolarHBondContact OD2-NH2 3.41Å
753A95.7Very high93.5Very high9 Ų948 Ų487%0.07429%0.287CS..  trans-103.617177.800000113.7L704 L755 R756 L764L704-A753 VanDerWaalsContact O-CA 3.28Å; L704-A753 WeakPolarHBondContact O-CA 3.39Å; L704-A753 WeakPolarHBondContact O-CB 3.47Å; A753-L755 VanDerWaalsContact C-N 3.29Å; A753-L755 PolarHBondContact O-N 3.42Å; A753-R756 WeakPolarHBondContact O-CD 3.42Å; A753-R756 WeakPolarHBondContact O-CG 3.35Å; A753-R756 PolarHBondContact O-NH1 3.29Å; A753-L764 HydrophobicContact CB-CD1 4.11Å
754R94.4Very high93.9Very high168 Ų16848.4 Ų48.463%0.63429%0.288SS*.THydrogen-bonded Turntrans-73.3-14.2-173.8-69.4175.5-65.6-177.5-0.8114.6D752 R756 G759D752-R754 WeakPolarHBondContact OD1-CB 3.32Å; D752-R754 WeakPolarHBondContact OD1-CG 3.11Å; D752-R754 IonicContact OD1-CZ 3.89Å; D752-R754 PolarHBondContact OD1-N 3.42Å; D752-R754 IonicContact OD1-NE 2.66Å; D752-R754 PolarHBondContact OD1-NE 3.22Å; D752-R754 IonicContact OD1-NH2 3.33Å; D752-R754 IonicContact OD2-CZ 2.99Å; D752-R754 IonicContact OD2-NE 3.82Å; D752-R754 PolarHBondContact OD2-NE 2.98Å; D752-R754 IonicContact OD2-NH2 3.03Å; D752-R754 PolarHBondContact OD2-NH2 3.41Å; R754-R756 VanDerWaalsContact C-N 3.32Å; R754-G759 VanDerWaalsContact O-CA 3.26Å; R754-G759 WeakPolarHBondContact O-CA 3.34Å
755L95Very high94.5Very high45 Ų4543.3 Ų43.324%0.23625%0.252CS..THydrogen-bonded Turntrans-87.56.1179-64.8176.2000114.1Y688 D703 A753 W782Y688-L755 HydrophobicContact CD1-CB 4.22Å; Y688-L755 HydrophobicContact CD1-CD1 3.85Å; Y688-L755 HydrophobicContact CG-CB 4.44Å; Y688-L755 HydrophobicContact CG-CD1 4.05Å; D703-L755 HydrophobicContact CB-CD1 4.44Å; A753-L755 VanDerWaalsContact C-N 3.29Å; A753-L755 PolarHBondContact O-N 3.42Å; L755-W782 HydrophobicContact CD2-CZ3 3.91Å
756R95.9Very high95Very high30 Ų3044 Ų4411%0.11326%0.256CS..SBendtrans-71.7160.2173.273.5-169.2-174.3-90.11.4111.3I705 A753 R754 S758 G759 A760 G762 M763I705-R756 HydrophobicContact CB-CB 4.18Å; I705-R756 HydrophobicContact CG2-CB 3.77Å; A753-R756 WeakPolarHBondContact O-CD 3.42Å; A753-R756 WeakPolarHBondContact O-CG 3.35Å; A753-R756 PolarHBondContact O-NH1 3.29Å; R754-R756 VanDerWaalsContact C-N 3.32Å; R756-S758 PolarHBondContact O-N 2.91Å; R756-G759 WeakPolarHBondContact CG-O 3.48Å; R756-G759 PolarHBondContact NE-O 3.31Å; R756-G759 VanDerWaalsContact NE-O 3.15Å; R756-G759 PolarHBondContact NH1-O 2.99Å; R756-G759 PolarHBondContact NH2-O 3.38Å; R756-G759 WeakPolarHBondContact O-CA 3.43Å; R756-G759 PolarHBondContact O-N 3.07Å; R756-A760 VanDerWaalsContact NH2-C 3.32Å; R756-A760 PolarHBondContact NH2-O 3.1Å; R756-G762 PolarHBondContact NE-O 3.49Å; R756-G762 PolarHBondContact NH2-O 3.37Å; R756-M763 VanDerWaalsContact CD-O 3.25Å; R756-M763 WeakPolarHBondContact CD-O 3.11Å; R756-M763 PolarHBondContact NE-O 3.15Å
757P95.5Very high95.3Very high10 Ų1044.4 Ų44.47%0.06526%0.257CS..THydrogen-bonded Turntrans-47.2131.5174.5-3238.6000112.9G759 G762 T766 F771 Y774P757-G759 PolarHBondContact O-N 2.94Å; P757-G762 WeakPolarHBondContact O-CA 3.44Å; P757-T766 HydrophobicContact CG-CG2 4.41Å; P757-F771 HydrophobicContact CG-CD2 3.74Å; P757-F771 HydrophobicContact CG-CE2 4.33Å; P757-Y774 HydrophobicContact CB-CD1 3.65Å; P757-Y774 HydrophobicContact CB-CD2 3.88Å; P757-Y774 HydrophobicContact CB-CE1 3.87Å; P757-Y774 HydrophobicContact CB-CE2 4.06Å; P757-Y774 HydrophobicContact CB-CG 3.65Å; P757-Y774 HydrophobicContact CG-CD1 3.88Å; P757-Y774 HydrophobicContact CG-CE1 4.3Å; P757-Y774 HydrophobicContact CG-CG 4.18Å
758S94.1Very high95.3Very high65 Ų6543 Ų4346%0.45525%0.251SS..THydrogen-bonded Turntrans61.714.9-174-57.10000115.7R756 A761 G762 Y774R756-S758 PolarHBondContact O-N 2.91Å; S758-A761 PolarHBondContact O-N 2.93Å; S758-G762 PolarHBondContact O-N 3.11Å; S758-Y774 PolarHBondContact N-OH 2.92Å; S758-Y774 VanDerWaalsContact N-OH 3.09Å
759G92.9Very high95.2Very high16 Ų1649.7 Ų49.717%0.16528%0.282CS..G310 helixtrans53.6-135.517700000113.9R754 R756 P757 A761 G762R754-G759 VanDerWaalsContact O-CA 3.26Å; R754-G759 WeakPolarHBondContact O-CA 3.34Å; R756-G759 WeakPolarHBondContact CG-O 3.48Å; R756-G759 PolarHBondContact NE-O 3.31Å; R756-G759 VanDerWaalsContact NE-O 3.15Å; R756-G759 PolarHBondContact NH1-O 2.99Å; R756-G759 PolarHBondContact NH2-O 3.38Å; R756-G759 WeakPolarHBondContact O-CA 3.43Å; R756-G759 PolarHBondContact O-N 3.07Å; P757-G759 PolarHBondContact O-N 2.94Å; G759-A761 PolarHBondContact O-N 2.7Å; G759-G762 PolarHBondContact O-N 3.05Å; G759-G762 VanDerWaalsContact O-N 3.08Å
760A89.7Confident95.2Very high82 Ų8251.4 Ų51.468%0.67830%0.298SS*.G310 helixtrans-62.4-22.7-179.100000114R756R756-A760 VanDerWaalsContact NH2-C 3.32Å; R756-A760 PolarHBondContact NH2-O 3.1Å
761A91.8Very high95.2Very high99 Ų9946.6 Ų46.682%0.81828%0.276SS*.G310 helixtrans-84.6-16.9177.500000113S758 G759S758-A761 PolarHBondContact O-N 2.93Å; G759-A761 PolarHBondContact O-N 2.7Å
762G91.8Very high95.3Very high14 Ų1446 Ų4614%0.14427%0.273CS..SBendtrans-75.9160.8178.100000113.7R756 P757 S758 G759R756-G762 PolarHBondContact NE-O 3.49Å; R756-G762 PolarHBondContact NH2-O 3.37Å; P757-G762 WeakPolarHBondContact O-CA 3.44Å; S758-G762 PolarHBondContact O-N 3.11Å; G759-G762 PolarHBondContact O-N 3.05Å; G759-G762 VanDerWaalsContact O-N 3.08Å
763M94.2Very high95.3Very high130 Ų13049.1 Ų49.164%0.6429%0.29SS*.  trans-57.2140.5171.9-67.2-67.7-100.800110.2L729 R756 V765L729-M763 HydrophobicContact CD2-CE 4.47Å; R756-M763 VanDerWaalsContact CD-O 3.25Å; R756-M763 WeakPolarHBondContact CD-O 3.11Å; R756-M763 PolarHBondContact NE-O 3.15Å; M763-V765 WeakPolarHBondContact CB-O 3.36Å; M763-V765 PolarHBondContact O-N 2.87Å
764L96.5Very high95.4Very high32 Ų3249.8 Ų49.817%0.16829%0.29CS..SBendtrans-62.5-28.6-179.7-175.762.6000112F706 L729 A732 Q733 M736 A753F706-L764 HydrophobicContact CD2-CD1 4.08Å; F706-L764 HydrophobicContact CD2-CG 4.04Å; F706-L764 WeakPolarHBondContact CD2-O 3.28Å; F706-L764 HydrophobicContact CE2-CD1 4.08Å; F706-L764 HydrophobicContact CE2-CG 4.34Å; L729-L764 HydrophobicContact CD1-CB 3.91Å; A732-L764 HydrophobicContact CB-CD2 3.8Å; A732-L764 HydrophobicContact CB-CG 4.01Å; Q733-L764 HydrophobicContact CG-CD2 3.83Å; M736-L764 HydrophobicContact CG-CD1 4.48Å; M736-L764 HydrophobicContact CG-CD2 4.17Å; A753-L764 HydrophobicContact CB-CD1 4.11Å
765V97.3Very high95.6Very high9 Ų941.9 Ų41.96%0.05526%0.261CS..EExtended strand (participates in β ladder)trans-127.1139.7176.5-162.20000108.8F683 F706 H708 L729 A732 M763F683-V765 HydrophobicContact CE2-CG1 4.05Å; F683-V765 HydrophobicContact CE2-CG2 4.43Å; F706-V765 HydrophobicContact CB-CB 4.23Å; F706-V765 HydrophobicContact CB-CG1 3.9Å; F706-V765 HydrophobicContact CB-CG2 3.88Å; F706-V765 WeakPolarHBondContact O-CA 3.46Å; F706-V765 WeakPolarHBondContact O-CG1 3.41Å; H708-V765 HydrophobicContact CB-CG1 4.38Å; L729-V765 HydrophobicContact CD1-CG2 4.5Å; A732-V765 HydrophobicContact CB-CG2 3.19Å; M763-V765 WeakPolarHBondContact CB-O 3.36Å; M763-V765 PolarHBondContact O-N 2.87Å
766T97Very high95.6Very high20 Ų2043.8 Ų43.812%0.12327%0.267CS..EExtended strand (participates in β ladder)trans-122.8147179.9-49.60000110F706 L707 H708 P757 A770 F771F706-T766 PolarHBondContact O-N 2.86Å; F706-T766 VanDerWaalsContact O-N 3.11Å; L707-T766 VanDerWaalsContact CA-O 3.28Å; L707-T766 WeakPolarHBondContact CA-O 3.31Å; H708-T766 PolarHBondContact N-O 3.49Å; P757-T766 HydrophobicContact CG-CG2 4.41Å; T766-A770 HydrophobicContact CG2-CB 3.75Å; T766-F771 HydrophobicContact CG2-CB 4.16Å
767S97.2Very high95.7Very high12 Ų1247.9 Ų47.98%0.08429%0.291CS..EExtended strand (participates in β ladder)trans-68.3147.9169.669.30000110.3H708 E769 A770 F771H708-S767 CarbonylContact O-C 3.53Å; H708-S767 WeakPolarHBondContact O-CA 3.34Å; S767-E769 PolarHBondContact O-N 3.45Å; S767-A770 PolarHBondContact O-N 2.8Å; S767-A770 VanDerWaalsContact O-N 3.11Å; S767-A770 VanDerWaalsContact OG-CB 3.23Å; S767-A770 WeakPolarHBondContact OG-CB 3.26Å; S767-A770 PolarHBondContact OG-N 3.37Å; S767-A770 VanDerWaalsContact OG-N 3.14Å; S767-F771 WeakPolarHBondContact O-CB 3.34Å; S767-F771 PolarHBondContact O-N 3.38Å
768A96.7Very high95.8Very high4 Ų453 Ų533%0.03331%0.314CS..Hα-helixtrans-55.9-36.5177.800000112.4H708 F771 A772 L799H708-A768 PolarHBondContact O-N 3.36Å; A768-F771 PolarHBondContact O-N 2.99Å; A768-A772 WeakPolarHBondContact O-CB 3.34Å; A768-A772 PolarHBondContact O-N 2.86Å; A768-L799 HydrophobicContact CB-CD1 3.85Å
769E95.9Very high95.9Very high140 Ų14050.8 Ų50.865%0.65430%0.3SS*.Hα-helixtrans-66.1-46.3174.7-66.3178.817300112.8S767 F771 A772 D773S767-E769 PolarHBondContact O-N 3.45Å; E769-F771 VanDerWaalsContact C-N 3.3Å; E769-F771 PolarHBondContact O-N 2.82Å; E769-A772 WeakPolarHBondContact O-CB 3.37Å; E769-A772 PolarHBondContact O-N 3.32Å; E769-D773 PolarHBondContact O-N 2.92Å
770A96.6Very high96.1Very high44 Ų4458.3 Ų58.336%0.36432%0.323SS..Hα-helixtrans-68.4-32.6178.100000111.6T766 S767 Y774T766-A770 HydrophobicContact CG2-CB 3.75Å; S767-A770 PolarHBondContact O-N 2.8Å; S767-A770 VanDerWaalsContact O-N 3.11Å; S767-A770 VanDerWaalsContact OG-CB 3.23Å; S767-A770 WeakPolarHBondContact OG-CB 3.26Å; S767-A770 PolarHBondContact OG-N 3.37Å; S767-A770 VanDerWaalsContact OG-N 3.14Å; A770-Y774 VanDerWaalsContact O-CB 3.32Å; A770-Y774 WeakPolarHBondContact O-CB 3.46Å; A770-Y774 PolarHBondContact O-N 2.96Å
771F97.8Very high96.4Very high1 Ų155.8 Ų55.80%0.00430%0.299CS..Hα-helixtrans-63.3-44.7171.2176.7-95.8000111.1I705 L707 P757 T766 S767 A768 E769 Q775 L787 F803 V806I705-F771 HydrophobicContact CD1-CD2 4.21Å; I705-F771 HydrophobicContact CD1-CE2 3.61Å; I705-F771 HydrophobicContact CD1-CZ 4.27Å; L707-F771 HydrophobicContact CD2-CB 3.87Å; L707-F771 HydrophobicContact CD2-CD2 3.97Å; L707-F771 HydrophobicContact CD2-CG 3.92Å; P757-F771 HydrophobicContact CG-CD2 3.74Å; P757-F771 HydrophobicContact CG-CE2 4.33Å; T766-F771 HydrophobicContact CG2-CB 4.16Å; S767-F771 WeakPolarHBondContact O-CB 3.34Å; S767-F771 PolarHBondContact O-N 3.38Å; A768-F771 PolarHBondContact O-N 2.99Å; E769-F771 VanDerWaalsContact C-N 3.3Å; E769-F771 PolarHBondContact O-N 2.82Å; F771-Q775 HydrophobicContact CD1-CG 4.32Å; F771-Q775 HydrophobicContact CD2-CG 4.42Å; F771-Q775 HydrophobicContact CE1-CG 3.93Å; F771-Q775 HydrophobicContact CE2-CG 4.04Å; F771-Q775 HydrophobicContact CZ-CG 3.78Å; F771-Q775 WeakPolarHBondContact O-CB 3.39Å; F771-Q775 VanDerWaalsContact O-CG 3.23Å; F771-Q775 WeakPolarHBondContact O-CG 3.47Å; F771-Q775 PolarHBondContact O-N 2.93Å; F771-L787 HydrophobicContact CE1-CD1 4.48Å; F771-L787 HydrophobicContact CZ-CD1 3.89Å; F771-F803 HydrophobicContact CE1-CD2 4.05Å; F771-F803 AromaticContact CE1-CE2 3.84Å; F771-F803 HydrophobicContact CE1-CE2 3.84Å; F771-F803 AromaticContact CZ-CE2 3.94Å; F771-F803 HydrophobicContact CZ-CE2 3.94Å; F771-V806 HydrophobicContact CD1-CG1 3.96Å; F771-V806 HydrophobicContact CE1-CG1 4Å
772A97.5Very high96.7Very high11 Ų1155.7 Ų55.79%0.09128%0.278CS..Hα-helixtrans-62.9-44.2176.300000112.3A768 E769 Q775 K776 V806A768-A772 WeakPolarHBondContact O-CB 3.34Å; A768-A772 PolarHBondContact O-N 2.86Å; E769-A772 WeakPolarHBondContact O-CB 3.37Å; E769-A772 PolarHBondContact O-N 3.32Å; A772-Q775 PolarHBondContact O-N 3.38Å; A772-K776 VanDerWaalsContact O-CG 3.27Å; A772-K776 WeakPolarHBondContact O-CG 3.28Å; A772-K776 PolarHBondContact O-N 2.74Å; A772-K776 VanDerWaalsContact O-N 3.12Å; A772-V806 HydrophobicContact CB-CB 4.36Å; A772-V806 HydrophobicContact CB-CG1 3.7Å; A772-V806 HydrophobicContact CB-CG2 3.64Å
773D97.6Very high96.9Very high91 Ų9155.7 Ų55.749%0.48727%0.274SS..Hα-helixtrans-61.6-49178-170.557.4000111.7E769 Q775 K776 N777E769-D773 PolarHBondContact O-N 2.92Å; D773-Q775 PolarHBondContact O-N 2.89Å; D773-K776 PolarHBondContact O-N 2.81Å; D773-N777 WeakPolarHBondContact O-CB 3.43Å; D773-N777 PolarHBondContact O-N 3.24Å; D773-N777 PolarHBondContact O-ND2 3.46Å; D773-N777 PolarHBondContact OD1-ND2 3.47Å
774Y98.1Very high97.1Very high22 Ų2250.1 Ų50.19%0.08625%0.247CC..Hα-helixtrans-57.3-48175.5176.2-91.4000111.9P757 S758 A770 K776 N777 E778 A779 E783P757-Y774 HydrophobicContact CB-CD1 3.65Å; P757-Y774 HydrophobicContact CB-CD2 3.88Å; P757-Y774 HydrophobicContact CB-CE1 3.87Å; P757-Y774 HydrophobicContact CB-CE2 4.06Å; P757-Y774 HydrophobicContact CB-CG 3.65Å; P757-Y774 HydrophobicContact CG-CD1 3.88Å; P757-Y774 HydrophobicContact CG-CE1 4.3Å; P757-Y774 HydrophobicContact CG-CG 4.18Å; S758-Y774 PolarHBondContact N-OH 2.92Å; S758-Y774 VanDerWaalsContact N-OH 3.09Å; A770-Y774 VanDerWaalsContact O-CB 3.32Å; A770-Y774 WeakPolarHBondContact O-CB 3.46Å; A770-Y774 PolarHBondContact O-N 2.96Å; Y774-K776 PolarHBondContact O-N 2.69Å; Y774-N777 PolarHBondContact O-N 3.12Å; Y774-E778 HydrophobicContact CD2-CB 3.73Å; Y774-E778 HydrophobicContact CD2-CG 4.35Å; Y774-E778 HydrophobicContact CE2-CB 3.85Å; Y774-E778 HydrophobicContact CG-CB 4.36Å; Y774-E778 PolarHBondContact O-N 2.92Å; Y774-A779 HydrophobicContact CD1-CB 4.2Å; Y774-A779 HydrophobicContact CE1-CB 3.91Å; Y774-A779 PolarHBondContact O-N 2.89Å; Y774-E783 WeakPolarHBondContact CE1-OE1 3.33Å; Y774-E783 PolarHBondContact OH-OE1 2.87Å; Y774-E783 PolarHBondContact OH-OE2 3.29Å
775Q97.8Very high97.2Very high3 Ų348.9 Ų48.91%0.01424%0.24CC..Hα-helixtrans-64.7-28.3-178-71.3-68.6-1900113F771 A772 D773 H784 I810F771-Q775 HydrophobicContact CD1-CG 4.32Å; F771-Q775 HydrophobicContact CD2-CG 4.42Å; F771-Q775 HydrophobicContact CE1-CG 3.93Å; F771-Q775 HydrophobicContact CE2-CG 4.04Å; F771-Q775 HydrophobicContact CZ-CG 3.78Å; F771-Q775 WeakPolarHBondContact O-CB 3.39Å; F771-Q775 VanDerWaalsContact O-CG 3.23Å; F771-Q775 WeakPolarHBondContact O-CG 3.47Å; F771-Q775 PolarHBondContact O-N 2.93Å; A772-Q775 PolarHBondContact O-N 3.38Å; D773-Q775 PolarHBondContact O-N 2.89Å; Q775-H784 PolarHBondContact O-NE2 3.48Å; Q775-H784 PolarHBondContact OE1-CD2 2.77Å; Q775-I810 HydrophobicContact CB-CD1 3.62Å; Q775-I810 HydrophobicContact CB-CG1 3.78Å
776K96.5Very high97.2Very high85 Ų8549.5 Ų49.537%0.3725%0.246SC..Hα-helixtrans-82-38177.7-70174.8-164.4-169.90112.9A772 D773 Y774 E809 I810A772-K776 VanDerWaalsContact O-CG 3.27Å; A772-K776 WeakPolarHBondContact O-CG 3.28Å; A772-K776 PolarHBondContact O-N 2.74Å; A772-K776 VanDerWaalsContact O-N 3.12Å; D773-K776 PolarHBondContact O-N 2.81Å; Y774-K776 PolarHBondContact O-N 2.69Å; K776-E809 VanDerWaalsContact CE-OE1 3.23Å; K776-E809 WeakPolarHBondContact CE-OE1 3.24Å; K776-E809 WeakPolarHBondContact CE-OE2 3.26Å; K776-E809 IonicContact NZ-OE1 3.75Å; K776-E809 PolarHBondContact NZ-OE1 2.98Å; K776-E809 IonicContact NZ-OE2 3.34Å; K776-E809 PolarHBondContact NZ-OE2 3.5Å; K776-I810 HydrophobicContact CB-CD1 4.48Å; K776-I810 HydrophobicContact CG-CD1 3.61Å
777N97.1Very high97.3Very high115 Ų11548.5 Ų48.562%0.61524%0.24SC*.Hα-helixtrans-111.1-25.6-163.5-62.8-46.9000114.4D773 Y774D773-N777 WeakPolarHBondContact O-CB 3.43Å; D773-N777 PolarHBondContact O-N 3.24Å; D773-N777 PolarHBondContact O-ND2 3.46Å; D773-N777 PolarHBondContact OD1-ND2 3.47Å; Y774-N777 PolarHBondContact O-N 3.12Å
778E96.8Very high97.3Very high118 Ų11848 Ų4855%0.55124%0.236SC*.THydrogen-bonded Turntrans-122.2-29.9-172.5-65-173.5-141.800113.6Y774Y774-E778 HydrophobicContact CD2-CB 3.73Å; Y774-E778 HydrophobicContact CD2-CG 4.35Å; Y774-E778 HydrophobicContact CE2-CB 3.85Å; Y774-E778 HydrophobicContact CG-CB 4.36Å; Y774-E778 PolarHBondContact O-N 2.92Å
779A96.8Very high97.3Very high18 Ų1848.1 Ų48.115%0.14924%0.236CC..  trans-65.9136.2-172.500000113Y774 E783Y774-A779 HydrophobicContact CD1-CB 4.2Å; Y774-A779 HydrophobicContact CE1-CB 3.91Å; Y774-A779 PolarHBondContact O-N 2.89Å; A779-E783 VanDerWaalsContact CA-OE2 3.22Å; A779-E783 WeakPolarHBondContact CA-OE2 3.47Å; A779-E783 HydrophobicContact CB-CB 4.12Å
780W97.1Very high97.5Very high175 Ų17541.4 Ų41.466%0.66320%0.204SC*.  trans-76.3160.9175.3-54.596000111.5W782 E783 H784W780-W782 HydrophobicContact CB-CG 4.25Å; W780-W782 AromaticContact CD1-NE1 3.52Å; W780-W782 AromaticContact CG-CD1 3.99Å; W780-W782 AromaticContact CG-NE1 3.55Å; W780-W782 PolarHBondContact O-N 3.05Å; W780-W782 VanDerWaalsContact O-N 3.14Å; W780-E783 PolarHBondContact N-OE2 3.15Å; W780-E783 WeakPolarHBondContact O-CA 3.4Å; W780-E783 WeakPolarHBondContact O-CB 3.47Å; W780-E783 PolarHBondContact O-N 3.16Å; W780-H784 PolarHBondContact O-N 2.73Å; W780-H784 VanDerWaalsContact O-N 3.15Å
781T97.3Very high97.5Very high28 Ų2840.9 Ų40.917%0.17219%0.193CC..Hα-helixtrans-54.1-35.8175.1-58.70000113.1E783 H784 Q785 L820 E823T781-E783 VanDerWaalsContact C-N 3.32Å; T781-E783 PolarHBondContact O-N 3.39Å; T781-H784 WeakPolarHBondContact O-CB 3.29Å; T781-H784 PolarHBondContact O-N 2.89Å; T781-Q785 WeakPolarHBondContact O-CG 3.25Å; T781-Q785 PolarHBondContact O-N 2.93Å; T781-L820 HydrophobicContact CG2-CD1 3.48Å; T781-L820 VanDerWaalsContact CG2-CD1 3.48Å; T781-E823 VanDerWaalsContact CB-OE2 3.31Å; T781-E823 WeakPolarHBondContact CB-OE2 3.49Å; T781-E823 HydrophobicContact CG2-CB 4.32Å; T781-E823 WeakPolarHBondContact CG2-OE2 3.4Å; T781-E823 PolarHBondContact OG1-OE2 3.42Å
782W96.5Very high97.6Very high98 Ų9842 Ų4237%0.37120%0.2SC..Hα-helixtrans-68.8-28.3176.973.8-96.5000113.1L755 W780 Q785 A786 M827L755-W782 HydrophobicContact CD2-CZ3 3.91Å; W780-W782 HydrophobicContact CB-CG 4.25Å; W780-W782 AromaticContact CD1-NE1 3.52Å; W780-W782 AromaticContact CG-CD1 3.99Å; W780-W782 AromaticContact CG-NE1 3.55Å; W780-W782 PolarHBondContact O-N 3.05Å; W780-W782 VanDerWaalsContact O-N 3.14Å; W782-Q785 WeakPolarHBondContact O-CB 3.32Å; W782-Q785 PolarHBondContact O-N 3.05Å; W782-A786 PolarHBondContact O-N 3.32Å; W782-M827 HydrophobicContact CB-CE 3.96Å; W782-M827 HydrophobicContact CB-CG 4.26Å; W782-M827 HydrophobicContact CG-CE 4.08Å
783E97.1Very high97.6Very high13 Ų1342.3 Ų42.36%0.06120%0.2CC..Hα-helixtrans-71.9-38.2172.6-68.8177101.300110.2Y774 A779 W780 T781 Q785 A786 L787Y774-E783 WeakPolarHBondContact CE1-OE1 3.33Å; Y774-E783 PolarHBondContact OH-OE1 2.87Å; Y774-E783 PolarHBondContact OH-OE2 3.29Å; A779-E783 VanDerWaalsContact CA-OE2 3.22Å; A779-E783 WeakPolarHBondContact CA-OE2 3.47Å; A779-E783 HydrophobicContact CB-CB 4.12Å; W780-E783 PolarHBondContact N-OE2 3.15Å; W780-E783 WeakPolarHBondContact O-CA 3.4Å; W780-E783 WeakPolarHBondContact O-CB 3.47Å; W780-E783 PolarHBondContact O-N 3.16Å; T781-E783 VanDerWaalsContact C-N 3.32Å; T781-E783 PolarHBondContact O-N 3.39Å; E783-Q785 VanDerWaalsContact C-N 3.32Å; E783-A786 PolarHBondContact O-N 3.49Å; E783-L787 WeakPolarHBondContact O-CB 3.49Å; E783-L787 PolarHBondContact O-N 2.96Å
784H98.3Very high97.6Very high14 Ų1439.3 Ų39.37%0.06518%0.183CC..Hα-helixtrans-64.2-37.5171-66.1179.3000111.6Q775 W780 T781 L787 V788 I810 R815 L864Q775-H784 PolarHBondContact O-NE2 3.48Å; Q775-H784 PolarHBondContact OE1-CD2 2.77Å; W780-H784 PolarHBondContact O-N 2.73Å; W780-H784 VanDerWaalsContact O-N 3.15Å; T781-H784 WeakPolarHBondContact O-CB 3.29Å; T781-H784 PolarHBondContact O-N 2.89Å; H784-L787 WeakPolarHBondContact O-CB 3.26Å; H784-L787 PolarHBondContact O-N 3.42Å; H784-V788 PolarHBondContact O-N 3.36Å; H784-V788 VanDerWaalsContact O-N 3.16Å; H784-I810 HydrophobicContact CB-CG2 4.4Å; H784-I810 VanDerWaalsContact CD2-CG2 3.47Å; H784-I810 WeakPolarHBondContact CD2-CG2 3.32Å; H784-R815 PolarHBondContact ND1-NH2 3.26Å; H784-L864 HydrophobicContact CB-CD1 4.18Å; H784-L864 HydrophobicContact CB-CD2 3.97Å
785Q98.1Very high97.6Very high6 Ų639.7 Ų39.73%0.02819%0.193CC..Hα-helixtrans-59.4-46171.9-75.8-175.1-100.300111.4T781 W782 E783 L787 V788 V824 Q860 L864T781-Q785 WeakPolarHBondContact O-CG 3.25Å; T781-Q785 PolarHBondContact O-N 2.93Å; W782-Q785 WeakPolarHBondContact O-CB 3.32Å; W782-Q785 PolarHBondContact O-N 3.05Å; E783-Q785 VanDerWaalsContact C-N 3.32Å; Q785-L787 VanDerWaalsContact C-N 3.3Å; Q785-L787 PolarHBondContact O-N 3.37Å; Q785-V788 VanDerWaalsContact O-CB 3.31Å; Q785-V788 WeakPolarHBondContact O-CB 3.39Å; Q785-V788 PolarHBondContact O-N 3.38Å; Q785-V824 HydrophobicContact CG-CG2 4.37Å; Q785-Q860 HydrophobicContact CB-CB 4.34Å; Q785-Q860 HydrophobicContact CG-CB 4.23Å; Q785-L864 HydrophobicContact CB-CD1 4.43Å; Q785-L864 HydrophobicContact CG-CD1 3.69Å
786A97.6Very high97.5Very high21 Ų2140.3 Ų40.317%0.17420%0.196CC..Hα-helixtrans-63.1-37.3176.300000112.1Y688 W782 E783 V788 R789Y688-A786 HydrophobicContact CD1-CB 4.09Å; Y688-A786 HydrophobicContact CE1-CB 4.23Å; W782-A786 PolarHBondContact O-N 3.32Å; E783-A786 PolarHBondContact O-N 3.49Å; A786-V788 VanDerWaalsContact C-N 3.26Å; A786-V788 PolarHBondContact O-N 3.31Å; A786-R789 PolarHBondContact O-N 2.9Å; A786-R789 VanDerWaalsContact O-N 3.08Å
787L98.1Very high97.5Very high0 Ų041.6 Ų41.60%021%0.213CC..Hα-helixtrans-65.6-24.6177.6-171.368.5000113.1Y688 F771 E783 H784 Q785 R789 A790 F803 R807 I810 M811Y688-L787 HydrophobicContact CE1-CD1 4.41Å; Y688-L787 WeakPolarHBondContact OH-CD1 3.33Å; F771-L787 HydrophobicContact CE1-CD1 4.48Å; F771-L787 HydrophobicContact CZ-CD1 3.89Å; E783-L787 WeakPolarHBondContact O-CB 3.49Å; E783-L787 PolarHBondContact O-N 2.96Å; H784-L787 WeakPolarHBondContact O-CB 3.26Å; H784-L787 PolarHBondContact O-N 3.42Å; Q785-L787 VanDerWaalsContact C-N 3.3Å; Q785-L787 PolarHBondContact O-N 3.37Å; L787-R789 PolarHBondContact O-N 3.27Å; L787-A790 HydrophobicContact CD1-CB 3.88Å; L787-A790 WeakPolarHBondContact O-CB 3.42Å; L787-A790 PolarHBondContact O-N 3.49Å; L787-F803 HydrophobicContact CD1-CE2 4.24Å; L787-F803 HydrophobicContact CD1-CZ 4.08Å; L787-R807 HydrophobicContact CD1-CG 4.47Å; L787-R807 HydrophobicContact CG-CG 4.12Å; L787-R807 WeakPolarHBondContact O-CD 3.27Å; L787-R807 PolarHBondContact O-NE 2.89Å; L787-I810 HydrophobicContact CD2-CB 3.88Å; L787-I810 HydrophobicContact CD2-CG1 4.17Å; L787-I810 HydrophobicContact CD2-CG2 3.74Å; L787-M811 HydrophobicContact CB-CE 3.94Å; L787-M811 HydrophobicContact CD2-CE 3.81Å; L787-M811 HydrophobicContact CG-CE 3.92Å
788V98.2Very high97.4Very high1 Ų142.4 Ų42.41%0.00621%0.214CC..Hα-helixtrans-56-39.2170.7176.80000110.3H784 Q785 A786 R807 M811 Q860 V863 L864 S877 I882H784-V788 PolarHBondContact O-N 3.36Å; H784-V788 VanDerWaalsContact O-N 3.16Å; Q785-V788 VanDerWaalsContact O-CB 3.31Å; Q785-V788 WeakPolarHBondContact O-CB 3.39Å; Q785-V788 PolarHBondContact O-N 3.38Å; A786-V788 VanDerWaalsContact C-N 3.26Å; A786-V788 PolarHBondContact O-N 3.31Å; V788-R807 PolarHBondContact O-NH2 2.9Å; V788-M811 HydrophobicContact CB-SD 4.24Å; V788-M811 HydrophobicContact CG2-CE 4.29Å; V788-M811 HydrophobicContact CG2-SD 3.48Å; V788-M811 WeakPolarHBondContact CG2-SD 3.38Å; V788-Q860 HydrophobicContact CB-CG 4.04Å; V788-Q860 HydrophobicContact CG1-CG 4.2Å; V788-Q860 HydrophobicContact CG2-CB 4.27Å; V788-Q860 HydrophobicContact CG2-CG 4.25Å; V788-V863 HydrophobicContact CG1-CB 4.27Å; V788-V863 HydrophobicContact CG1-CG1 4.25Å; V788-V863 HydrophobicContact CG1-CG2 4.29Å; V788-V863 HydrophobicContact CG2-CB 4.41Å; V788-V863 HydrophobicContact CG2-CG1 4.2Å; V788-L864 HydrophobicContact CG2-CD2 4.02Å; V788-L864 HydrophobicContact CG2-CG 4.06Å; V788-S877 WeakPolarHBondContact O-CA 3.09Å; V788-S877 WeakPolarHBondContact O-CB 3.4Å; V788-I882 HydrophobicContact CG1-CD1 3.79Å
789R97.5Very high97.4Very high6 Ų636.8 Ų36.82%0.02319%0.187CC..THydrogen-bonded Turntrans-85.2-4.5179.1-68.9-163131.3-146.3-12.2114.1G692 E695 A786 L787 E856 N879G692-R789 CarbonylContact C-O 3.58Å; G692-R789 WeakPolarHBondContact CA-O 3.39Å; E695-R789 IonicContact OE2-CZ 2.91Å; E695-R789 IonicContact OE2-NH1 3.41Å; E695-R789 PolarHBondContact OE2-NH1 2.93Å; E695-R789 IonicContact OE2-NH2 3.3Å; E695-R789 PolarHBondContact OE2-NH2 3.38Å; A786-R789 PolarHBondContact O-N 2.9Å; A786-R789 VanDerWaalsContact O-N 3.08Å; L787-R789 PolarHBondContact O-N 3.27Å; R789-E856 IonicContact CZ-OE1 2.88Å; R789-E856 IonicContact NE-OE1 2.94Å; R789-E856 IonicContact NH1-OE1 2.63Å; R789-E856 PolarHBondContact NH1-OE1 2.95Å; R789-E856 IonicContact NH2-OE1 3.46Å; R789-N879 PolarHBondContact NE-OD1 3.09Å; R789-N879 VanDerWaalsContact NH2-CG 3.26Å; R789-N879 PolarHBondContact NH2-ND2 2.88Å; R789-N879 PolarHBondContact NH2-OD1 3.44Å; R789-N879 VanDerWaalsContact NH2-OD1 3.11Å
790A98.3Very high97.4Very high0 Ų037.6 Ų37.60%019%0.19CC..  trans-80.8139.1-175.700000112.8V686 G687 Y688 L787 F803 R807V686-A790 HydrophobicContact CG1-CB 3.95Å; G687-A790 VanDerWaalsContact O-CA 3.31Å; G687-A790 WeakPolarHBondContact O-CA 3.5Å; Y688-A790 HydrophobicContact CD1-CB 4Å; Y688-A790 HydrophobicContact CD2-CB 3.82Å; Y688-A790 HydrophobicContact CE1-CB 3.79Å; Y688-A790 HydrophobicContact CE2-CB 3.55Å; Y688-A790 HydrophobicContact CG-CB 4.04Å; L787-A790 HydrophobicContact CD1-CB 3.88Å; L787-A790 WeakPolarHBondContact O-CB 3.42Å; L787-A790 PolarHBondContact O-N 3.49Å; A790-F803 HydrophobicContact CB-CZ 3.92Å; A790-R807 VanDerWaalsContact O-CD 3.29Å; A790-R807 WeakPolarHBondContact O-CD 3.34Å; A790-R807 PolarHBondContact O-NE 3.14Å; A790-R807 VanDerWaalsContact O-NE 3.11Å
791R98.3Very high97.4Very high33 Ų3332.1 Ų32.113%0.12518%0.182CC..EExtended strand (participates in β ladder)trans-149156.5171.266.7-175.9177.787.33111.2E651 V686 G687 L691 G692 W694 V793E651-R791 IonicContact OE1-CZ 2.65Å; E651-R791 IonicContact OE1-NH1 2.72Å; E651-R791 PolarHBondContact OE1-NH1 3.45Å; E651-R791 IonicContact OE1-NH2 3.99Å; E651-R791 PolarHBondContact OE1-NH2 2.81Å; V686-R791 CarbonylContact C-O 3.5Å; V686-R791 WeakPolarHBondContact CA-O 3.05Å; V686-R791 WeakPolarHBondContact CG1-O 3.47Å; G687-R791 PolarHBondContact N-O 3.44Å; G687-R791 PolarHBondContact O-N 2.98Å; L691-R791 PolarHBondContact O-NE 3.22Å; L691-R791 PolarHBondContact O-NH2 3.38Å; G692-R791 WeakPolarHBondContact O-CD 3.49Å; G692-R791 PolarHBondContact O-NE 2.89Å; W694-R791 VanDerWaalsContact NE1-NE 3.11Å; R791-V793 HydrophobicContact CG-CG1 4.37Å; R791-V793 PolarHBondContact O-N 2.91Å
792V98.5Very high97.4Very high25 Ų2533.8 Ų33.815%0.15219%0.188CC..EExtended strand (participates in β ladder)trans-69.8127.4172.5-1750000109.4A684 V686 Y794 T800 F803A684-V792 HydrophobicContact CB-CG1 4.45Å; V686-V792 HydrophobicContact CG2-CG2 4.43Å; V792-Y794 WeakPolarHBondContact CG1-O 3.13Å; V792-T800 HydrophobicContact CB-CG2 4.05Å; V792-T800 HydrophobicContact CG1-CG2 4.35Å; V792-T800 HydrophobicContact CG2-CG2 4.05Å; V792-F803 HydrophobicContact CG2-CB 3.92Å; V792-F803 HydrophobicContact CG2-CD1 3.46Å; V792-F803 VanDerWaalsContact CG2-CD1 3.46Å; V792-F803 HydrophobicContact CG2-CE1 4.24Å; V792-F803 HydrophobicContact CG2-CG 3.84Å
793V98.4Very high97.5Very high16 Ų1629.3 Ų29.310%0.09717%0.171CC..EExtended strand (participates in β ladder)trans-110.5-14.5176.1-65.90000111.9E651 I654 V685 L691 L704 R791E651-V793 HydrophobicContact CG-CB 4.2Å; E651-V793 HydrophobicContact CG-CG1 4.34Å; I654-V793 HydrophobicContact CD1-CB 4.4Å; I654-V793 HydrophobicContact CD1-CG2 3.88Å; V685-V793 HydrophobicContact CB-CG2 3.98Å; V685-V793 HydrophobicContact CG1-CG2 3.8Å; V685-V793 VanDerWaalsContact O-CG2 3.32Å; V685-V793 WeakPolarHBondContact O-CG2 3.34Å; V685-V793 PolarHBondContact O-N 3.22Å; L691-V793 HydrophobicContact CD1-CG1 4.44Å; L691-V793 HydrophobicContact CD2-CG1 4.08Å; L691-V793 HydrophobicContact CD2-CG2 4.29Å; L691-V793 HydrophobicContact CG-CG1 4.08Å; L704-V793 HydrophobicContact CD2-CG2 4.49Å; R791-V793 HydrophobicContact CG-CG1 4.37Å; R791-V793 PolarHBondContact O-N 2.91Å
794Y98.4Very high97.6Very high29 Ų2932.2 Ų32.211%0.11419%0.187CC..EExtended strand (participates in β ladder)trans-152.8133.4170.4177.3-84.7000108.5D655 V658 R681 F683 A684 V685 V792D655-Y794 WeakPolarHBondContact OD1-CE2 3.11Å; V658-Y794 HydrophobicContact CB-CD1 4.43Å; V658-Y794 HydrophobicContact CB-CD2 4.25Å; V658-Y794 HydrophobicContact CB-CE1 4.11Å; V658-Y794 HydrophobicContact CB-CE2 3.88Å; V658-Y794 HydrophobicContact CB-CG 4.5Å; V658-Y794 HydrophobicContact CG1-CD1 4.12Å; V658-Y794 HydrophobicContact CG1-CE1 3.46Å; V658-Y794 VanDerWaalsContact CG1-CE1 3.46Å; V658-Y794 HydrophobicContact CG1-CE2 4Å; V658-Y794 WeakPolarHBondContact CG1-OH 3.31Å; V658-Y794 HydrophobicContact CG2-CD1 4.2Å; V658-Y794 HydrophobicContact CG2-CD2 4.3Å; V658-Y794 HydrophobicContact CG2-CE1 4.35Å; V658-Y794 HydrophobicContact CG2-CE2 4.42Å; V658-Y794 HydrophobicContact CG2-CG 4.18Å; R681-Y794 VanDerWaalsContact CD-OH 3.22Å; R681-Y794 WeakPolarHBondContact CD-OH 3.46Å; R681-Y794 PolarHBondContact NH1-OH 2.98Å; F683-Y794 HydrophobicContact CD1-CD1 4.43Å; F683-Y794 HydrophobicContact CD1-CE1 4.32Å; A684-Y794 CarbonylContact C-O 3.39Å; A684-Y794 WeakPolarHBondContact CA-O 3.29Å; A684-Y794 WeakPolarHBondContact CB-O 3.41Å; V685-Y794 HydrophobicContact CG2-CD1 4.15Å; V685-Y794 HydrophobicContact CG2-CG 4.29Å; V685-Y794 PolarHBondContact N-O 3.47Å; V685-Y794 PolarHBondContact O-N 3.3Å; V792-Y794 WeakPolarHBondContact CG1-O 3.13Å
795G96.7Very high97.5Very high30 Ų3034.4 Ų34.431%0.30921%0.208SC..  trans166.8156.6176.100000111.8
796D96.3Very high97.5Very high15 Ų1534.4 Ų34.48%0.0821%0.208CC..  trans-74.9160.8170.463.552.5000111.5R678 G680 R681 G682 Q798 L799 T800R678-D796 IonicContact CZ-OD1 3.21Å; R678-D796 IonicContact CZ-OD2 3.46Å; R678-D796 IonicContact NE-OD1 2.82Å; R678-D796 IonicContact NE-OD2 2.76Å; R678-D796 PolarHBondContact NE-OD2 3.29Å; R678-D796 VanDerWaalsContact NH2-CG 3.35Å; R678-D796 IonicContact NH2-OD1 3.91Å; R678-D796 PolarHBondContact NH2-OD1 3.05Å; R678-D796 IonicContact NH2-OD2 2.88Å; R678-D796 PolarHBondContact NH2-OD2 3.44Å; G680-D796 WeakPolarHBondContact CA-OD2 3.13Å; R681-D796 PolarHBondContact N-OD2 2.97Å; G682-D796 PolarHBondContact N-OD2 3.24Å; D796-Q798 PolarHBondContact O-N 3.4Å; D796-Q798 VanDerWaalsContact O-N 3.16Å; D796-Q798 PolarHBondContact OD1-N 3Å; D796-L799 PolarHBondContact O-N 3.01Å; D796-L799 PolarHBondContact OD1-N 2.99Å; D796-T800 VanDerWaalsContact O-CB 3.32Å; D796-T800 WeakPolarHBondContact O-CB 3.25Å; D796-T800 PolarHBondContact O-N 3.48Å; D796-T800 PolarHBondContact O-OG1 3.42Å
797P96.1Very high97.6Very high112 Ų11234.1 Ų34.173%0.72720%0.203SC*.Hα-helixtrans-57.2-32.4-175.7-28.536.3000114.1A801P797-A801 VanDerWaalsContact O-CB 3.3Å; P797-A801 WeakPolarHBondContact O-CB 3.27Å; P797-A801 PolarHBondContact O-N 3Å
798Q95.5Very high97.6Very high133 Ų13340.5 Ų40.562%0.62123%0.227SC*.Hα-helixtrans-73.4-47.7-177.2-178.9151.6-5.200112D796 T800 A801 H802D796-Q798 PolarHBondContact O-N 3.4Å; D796-Q798 VanDerWaalsContact O-N 3.16Å; D796-Q798 PolarHBondContact OD1-N 3Å; Q798-T800 VanDerWaalsContact C-N 3.3Å; Q798-T800 PolarHBondContact O-N 2.91Å; Q798-A801 PolarHBondContact O-N 3.5Å; Q798-H802 PolarHBondContact O-N 3.33Å
799L96.2Very high97.6Very high0 Ų044.4 Ų44.40%025%0.245CC..Hα-helixtrans-70.2-31.8177.2-16954000111.5F683 A684 D709 A768 D796 H802 F803F683-L799 VanDerWaalsContact C-CD2 3.47Å; A684-L799 HydrophobicContact CB-CB 4.46Å; A684-L799 HydrophobicContact CB-CD2 3.48Å; A684-L799 VanDerWaalsContact CB-CD2 3.48Å; A684-L799 HydrophobicContact CB-CG 3.73Å; D709-L799 HydrophobicContact CB-CD1 3.93Å; A768-L799 HydrophobicContact CB-CD1 3.85Å; D796-L799 PolarHBondContact O-N 3.01Å; D796-L799 PolarHBondContact OD1-N 2.99Å; L799-H802 PolarHBondContact O-N 3.45Å; L799-F803 PolarHBondContact O-N 3.25Å
800T97.7Very high97.6Very high34 Ų3444.1 Ų44.121%0.20924%0.244CC..Hα-helixtrans-61.4-50.6172-56.40000111.3V792 D796 Q798 H802 F803 D804V792-T800 HydrophobicContact CB-CG2 4.05Å; V792-T800 HydrophobicContact CG1-CG2 4.35Å; V792-T800 HydrophobicContact CG2-CG2 4.05Å; D796-T800 VanDerWaalsContact O-CB 3.32Å; D796-T800 WeakPolarHBondContact O-CB 3.25Å; D796-T800 PolarHBondContact O-N 3.48Å; D796-T800 PolarHBondContact O-OG1 3.42Å; Q798-T800 VanDerWaalsContact C-N 3.3Å; Q798-T800 PolarHBondContact O-N 2.91Å; T800-H802 VanDerWaalsContact C-N 3.28Å; T800-H802 PolarHBondContact O-N 2.95Å; T800-F803 PolarHBondContact O-N 3.49Å; T800-D804 WeakPolarHBondContact O-CB 3.49Å; T800-D804 PolarHBondContact O-N 3.45Å
801A97.2Very high97.6Very high60 Ų6044.1 Ų44.150%0.49624%0.244SC..Hα-helixtrans-61.2-36.717700000112.4P797 Q798 A805P797-A801 VanDerWaalsContact O-CB 3.3Å; P797-A801 WeakPolarHBondContact O-CB 3.27Å; P797-A801 PolarHBondContact O-N 3Å; Q798-A801 PolarHBondContact O-N 3.5Å; A801-A805 VanDerWaalsContact O-CB 3.29Å; A801-A805 WeakPolarHBondContact O-CB 3.36Å; A801-A805 PolarHBondContact O-N 2.77Å
802H97.2Very high97.6Very high64 Ų6444 Ų4430%0.29625%0.247SC..Hα-helixtrans-63.8-50.3175.8-162.9158.8000110.8Q798 L799 T800 D804 A805 V806Q798-H802 PolarHBondContact O-N 3.33Å; L799-H802 PolarHBondContact O-N 3.45Å; T800-H802 VanDerWaalsContact C-N 3.28Å; T800-H802 PolarHBondContact O-N 2.95Å; H802-D804 PolarHBondContact O-N 3.47Å; H802-A805 PolarHBondContact O-N 2.96Å; H802-V806 WeakPolarHBondContact O-CG2 3.41Å; H802-V806 PolarHBondContact O-N 2.65Å
803F98.2Very high97.5Very high3 Ų345.3 Ų45.31%0.01325%0.253CS..Hα-helixtrans-58.8-47.1176.5174.7-94.5000112V686 L707 F771 L787 A790 V792 L799 T800 A805 V806 R807V686-F803 HydrophobicContact CB-CE2 4.34Å; V686-F803 HydrophobicContact CB-CZ 4.43Å; V686-F803 HydrophobicContact CG1-CD2 4.47Å; V686-F803 HydrophobicContact CG1-CE1 3.96Å; V686-F803 HydrophobicContact CG1-CE2 3.67Å; V686-F803 HydrophobicContact CG1-CZ 3.37Å; V686-F803 HydrophobicContact CG2-CD2 3.81Å; V686-F803 HydrophobicContact CG2-CE2 3.8Å; V686-F803 HydrophobicContact CG2-CG 4.21Å; V686-F803 HydrophobicContact CG2-CZ 4.2Å; L707-F803 HydrophobicContact CD1-CB 4.46Å; L707-F803 HydrophobicContact CD1-CD2 3.62Å; L707-F803 HydrophobicContact CD1-CE2 4.38Å; L707-F803 HydrophobicContact CD1-CG 4.41Å; F771-F803 HydrophobicContact CE1-CD2 4.05Å; F771-F803 AromaticContact CE1-CE2 3.84Å; F771-F803 HydrophobicContact CE1-CE2 3.84Å; F771-F803 AromaticContact CZ-CE2 3.94Å; F771-F803 HydrophobicContact CZ-CE2 3.94Å; L787-F803 HydrophobicContact CD1-CE2 4.24Å; L787-F803 HydrophobicContact CD1-CZ 4.08Å; A790-F803 HydrophobicContact CB-CZ 3.92Å; V792-F803 HydrophobicContact CG2-CB 3.92Å; V792-F803 HydrophobicContact CG2-CD1 3.46Å; V792-F803 VanDerWaalsContact CG2-CD1 3.46Å; V792-F803 HydrophobicContact CG2-CE1 4.24Å; V792-F803 HydrophobicContact CG2-CG 3.84Å; L799-F803 PolarHBondContact O-N 3.25Å; T800-F803 PolarHBondContact O-N 3.49Å; F803-A805 VanDerWaalsContact C-N 3.31Å; F803-A805 PolarHBondContact O-N 2.66Å; F803-V806 PolarHBondContact O-N 2.88Å; F803-R807 HydrophobicContact CE1-CB 4.23Å; F803-R807 HydrophobicContact CZ-CB 4.31Å; F803-R807 WeakPolarHBondContact O-CB 3.5Å; F803-R807 PolarHBondContact O-N 3.01Å
804D98.1Very high97.5Very high75 Ų7549.1 Ų49.140%0.40128%0.278SS..Hα-helixtrans-62.9-38.2-178.9-74.4-18.8000112T800 H802 R808T800-D804 WeakPolarHBondContact O-CB 3.49Å; T800-D804 PolarHBondContact O-N 3.45Å; H802-D804 PolarHBondContact O-N 3.47Å; D804-R808 WeakPolarHBondContact O-CB 3.18Å; D804-R808 PolarHBondContact O-N 2.99Å
805A98Very high97.4Very high60 Ų6050.1 Ų50.150%0.49628%0.281SS..Hα-helixtrans-64.2-46174.600000111.7A801 H802 F803 R808 E809A801-A805 VanDerWaalsContact O-CB 3.29Å; A801-A805 WeakPolarHBondContact O-CB 3.36Å; A801-A805 PolarHBondContact O-N 2.77Å; H802-A805 PolarHBondContact O-N 2.96Å; F803-A805 VanDerWaalsContact C-N 3.31Å; F803-A805 PolarHBondContact O-N 2.66Å; A805-R808 PolarHBondContact O-N 3.24Å; A805-E809 WeakPolarHBondContact O-CB 3.35Å; A805-E809 PolarHBondContact O-N 2.87Å
806V97.9Very high97.4Very high6 Ų655.2 Ų55.24%0.03630%0.297CS..Hα-helixtrans-63.1-51.1177.3172.10000110.6F771 A772 H802 F803 R808 E809 I810F771-V806 HydrophobicContact CD1-CG1 3.96Å; F771-V806 HydrophobicContact CE1-CG1 4Å; A772-V806 HydrophobicContact CB-CB 4.36Å; A772-V806 HydrophobicContact CB-CG1 3.7Å; A772-V806 HydrophobicContact CB-CG2 3.64Å; H802-V806 WeakPolarHBondContact O-CG2 3.41Å; H802-V806 PolarHBondContact O-N 2.65Å; F803-V806 PolarHBondContact O-N 2.88Å; V806-R808 VanDerWaalsContact C-N 3.3Å; V806-R808 PolarHBondContact O-N 2.76Å; V806-E809 WeakPolarHBondContact O-CB 3.45Å; V806-E809 PolarHBondContact O-N 3.47Å; V806-E809 VanDerWaalsContact O-N 3.13Å; V806-I810 HydrophobicContact CG1-CG1 4.45Å; V806-I810 WeakPolarHBondContact O-CG1 3.34Å; V806-I810 PolarHBondContact O-N 2.68Å
807R98.1Very high97.3Very high14 Ų1455.5 Ų55.55%0.05330%0.304CS..Hα-helixtrans-55.4-47.5177172.5171.8172.4-82.52.2110.7L787 V788 A790 F803 E809 I810 M811 T874 W876L787-R807 HydrophobicContact CD1-CG 4.47Å; L787-R807 HydrophobicContact CG-CG 4.12Å; L787-R807 WeakPolarHBondContact O-CD 3.27Å; L787-R807 PolarHBondContact O-NE 2.89Å; V788-R807 PolarHBondContact O-NH2 2.9Å; A790-R807 VanDerWaalsContact O-CD 3.29Å; A790-R807 WeakPolarHBondContact O-CD 3.34Å; A790-R807 PolarHBondContact O-NE 3.14Å; A790-R807 VanDerWaalsContact O-NE 3.11Å; F803-R807 HydrophobicContact CE1-CB 4.23Å; F803-R807 HydrophobicContact CZ-CB 4.31Å; F803-R807 WeakPolarHBondContact O-CB 3.5Å; F803-R807 PolarHBondContact O-N 3.01Å; R807-E809 VanDerWaalsContact C-N 3.34Å; R807-E809 PolarHBondContact O-N 2.92Å; R807-I810 PolarHBondContact O-N 2.66Å; R807-M811 HydrophobicContact CG-CG 4.28Å; R807-M811 VanDerWaalsContact O-CG 3.27Å; R807-M811 WeakPolarHBondContact O-CG 3.35Å; R807-M811 PolarHBondContact O-N 2.86Å; R807-T874 PolarHBondContact NH1-O 3.17Å; R807-W876 PolarHBondContact NH2-O 3.26Å; R807-W876 VanDerWaalsContact NH2-O 3.12Å
808R98.2Very high97.3Very high134 Ų13455.9 Ų55.951%0.50629%0.294SS..Hα-helixtrans-59.1-45.3177.8179.3174.4176.6-168.5-4.5111.6D804 A805 V806 I810 M811 T812 T874D804-R808 WeakPolarHBondContact O-CB 3.18Å; D804-R808 PolarHBondContact O-N 2.99Å; A805-R808 PolarHBondContact O-N 3.24Å; V806-R808 VanDerWaalsContact C-N 3.3Å; V806-R808 PolarHBondContact O-N 2.76Å; R808-I810 PolarHBondContact O-N 3.24Å; R808-M811 PolarHBondContact O-N 3.43Å; R808-T812 HydrophobicContact CG-CG2 4.4Å; R808-T812 WeakPolarHBondContact O-CB 3.48Å; R808-T812 VanDerWaalsContact O-CG2 3.29Å; R808-T812 WeakPolarHBondContact O-CG2 3.34Å; R808-T812 PolarHBondContact O-N 3.49Å; R808-T812 PolarHBondContact O-OG1 3.02Å; R808-T874 HydrophobicContact CG-CG2 4.39Å
809E98Very high97.4Very high83 Ų8352.4 Ų52.439%0.38828%0.282SS..Hα-helixtrans-56.5-49.7176.9-170.6-179.3177.800111.2K776 A805 V806 R807 M811 T812 L813K776-E809 VanDerWaalsContact CE-OE1 3.23Å; K776-E809 WeakPolarHBondContact CE-OE1 3.24Å; K776-E809 WeakPolarHBondContact CE-OE2 3.26Å; K776-E809 IonicContact NZ-OE1 3.75Å; K776-E809 PolarHBondContact NZ-OE1 2.98Å; K776-E809 IonicContact NZ-OE2 3.34Å; K776-E809 PolarHBondContact NZ-OE2 3.5Å; A805-E809 WeakPolarHBondContact O-CB 3.35Å; A805-E809 PolarHBondContact O-N 2.87Å; V806-E809 WeakPolarHBondContact O-CB 3.45Å; V806-E809 PolarHBondContact O-N 3.47Å; V806-E809 VanDerWaalsContact O-N 3.13Å; R807-E809 VanDerWaalsContact C-N 3.34Å; R807-E809 PolarHBondContact O-N 2.92Å; E809-M811 PolarHBondContact O-N 2.92Å; E809-T812 CarbonylContact O-C 3.6Å; E809-T812 PolarHBondContact O-N 3.42Å; E809-T812 VanDerWaalsContact O-N 3.17Å; E809-T812 PolarHBondContact O-OG1 3.49Å; E809-L813 PolarHBondContact O-N 3.38Å
810I98.1Very high97.4Very high0 Ų052.6 Ų52.60%028%0.283CS..Hα-helixtrans-61.4-45.6178.2-60-58.6000111.8Q775 K776 H784 L787 V806 R807 R808 T812 L813 R815Q775-I810 HydrophobicContact CB-CD1 3.62Å; Q775-I810 HydrophobicContact CB-CG1 3.78Å; K776-I810 HydrophobicContact CB-CD1 4.48Å; K776-I810 HydrophobicContact CG-CD1 3.61Å; H784-I810 HydrophobicContact CB-CG2 4.4Å; H784-I810 VanDerWaalsContact CD2-CG2 3.47Å; H784-I810 WeakPolarHBondContact CD2-CG2 3.32Å; L787-I810 HydrophobicContact CD2-CB 3.88Å; L787-I810 HydrophobicContact CD2-CG1 4.17Å; L787-I810 HydrophobicContact CD2-CG2 3.74Å; V806-I810 HydrophobicContact CG1-CG1 4.45Å; V806-I810 WeakPolarHBondContact O-CG1 3.34Å; V806-I810 PolarHBondContact O-N 2.68Å; R807-I810 PolarHBondContact O-N 2.66Å; R808-I810 PolarHBondContact O-N 3.24Å; I810-T812 PolarHBondContact O-N 2.83Å; I810-L813 HydrophobicContact CD1-CD1 4.2Å; I810-L813 HydrophobicContact CG2-CD1 4.47Å; I810-L813 WeakPolarHBondContact O-CG 3.33Å; I810-L813 PolarHBondContact O-N 3.03Å; I810-R815 PolarHBondContact O-NH1 3.35Å; I810-R815 PolarHBondContact O-NH2 3.04Å
811M98.1Very high97.4Very high0 Ų051.2 Ų51.20%027%0.274CS..Hα-helixtrans-59.4-39.6177.2-66.3-55.198.500110.9L787 V788 R807 R808 E809 L813 R815 V863 L864 A867 T874L787-M811 HydrophobicContact CB-CE 3.94Å; L787-M811 HydrophobicContact CD2-CE 3.81Å; L787-M811 HydrophobicContact CG-CE 3.92Å; V788-M811 HydrophobicContact CB-SD 4.24Å; V788-M811 HydrophobicContact CG2-CE 4.29Å; V788-M811 HydrophobicContact CG2-SD 3.48Å; V788-M811 WeakPolarHBondContact CG2-SD 3.38Å; R807-M811 HydrophobicContact CG-CG 4.28Å; R807-M811 VanDerWaalsContact O-CG 3.27Å; R807-M811 WeakPolarHBondContact O-CG 3.35Å; R807-M811 PolarHBondContact O-N 2.86Å; R808-M811 PolarHBondContact O-N 3.43Å; E809-M811 PolarHBondContact O-N 2.92Å; M811-L813 VanDerWaalsContact C-N 3.34Å; M811-L813 PolarHBondContact O-N 3.32Å; M811-R815 PolarHBondContact O-NH1 3.46Å; M811-V863 HydrophobicContact CG-CG1 4.42Å; M811-V863 HydrophobicContact SD-CG1 3.99Å; M811-L864 HydrophobicContact CE-CD2 3.81Å; M811-L864 HydrophobicContact SD-CD2 3.72Å; M811-A867 HydrophobicContact CB-CB 4.23Å; M811-T874 HydrophobicContact CB-CG2 3.5Å; M811-T874 VanDerWaalsContact CB-CG2 3.5Å; M811-T874 HydrophobicContact CG-CG2 4.06Å
812T98.2Very high97.4Very high31 Ų3150.1 Ų50.119%0.1926%0.261CS..THydrogen-bonded Turntrans-86.39.3-177.363.40000115.5R808 E809 I810 A867 H868 P871 T874R808-T812 HydrophobicContact CG-CG2 4.4Å; R808-T812 WeakPolarHBondContact O-CB 3.48Å; R808-T812 VanDerWaalsContact O-CG2 3.29Å; R808-T812 WeakPolarHBondContact O-CG2 3.34Å; R808-T812 PolarHBondContact O-N 3.49Å; R808-T812 PolarHBondContact O-OG1 3.02Å; E809-T812 CarbonylContact O-C 3.6Å; E809-T812 PolarHBondContact O-N 3.42Å; E809-T812 VanDerWaalsContact O-N 3.17Å; E809-T812 PolarHBondContact O-OG1 3.49Å; I810-T812 PolarHBondContact O-N 2.83Å; T812-A867 HydrophobicContact CG2-CB 4.23Å; T812-A867 WeakPolarHBondContact CG2-O 3.28Å; T812-H868 WeakPolarHBondContact O-CB 3.46Å; T812-H868 PolarHBondContact O-ND1 3.48Å; T812-P871 HydrophobicContact CG2-CB 4.09Å; T812-P871 HydrophobicContact CG2-CG 4.41Å; T812-T874 HydrophobicContact CG2-CG2 4.13Å
813L97.8Very high97.4Very high52 Ų5250.9 Ų50.927%0.27227%0.265SS..SBendtrans-59.8137.1171.9-70.2173.4000110.4E809 I810 M811 R815E809-L813 PolarHBondContact O-N 3.38Å; I810-L813 HydrophobicContact CD1-CD1 4.2Å; I810-L813 HydrophobicContact CG2-CD1 4.47Å; I810-L813 WeakPolarHBondContact O-CG 3.33Å; I810-L813 PolarHBondContact O-N 3.03Å; M811-L813 VanDerWaalsContact C-N 3.34Å; M811-L813 PolarHBondContact O-N 3.32Å; L813-R815 PolarHBondContact O-N 3.2Å; L813-R815 PolarHBondContact O-NH1 3.08Å
814P97.4Very high97.4Very high96 Ų9650.8 Ų50.862%0.62326%0.264SS*.  trans-67.8125.5174.328.6-33.1000109.4
815R96.9Very high97.3Very high50 Ų5049.6 Ų49.619%0.18925%0.254CS..  trans-123.6143.6179.8-65.6-178.1-178.578.34.1110.4H784 I810 M811 L813 G817 L820 L864H784-R815 PolarHBondContact ND1-NH2 3.26Å; I810-R815 PolarHBondContact O-NH1 3.35Å; I810-R815 PolarHBondContact O-NH2 3.04Å; M811-R815 PolarHBondContact O-NH1 3.46Å; L813-R815 PolarHBondContact O-N 3.2Å; L813-R815 PolarHBondContact O-NH1 3.08Å; R815-G817 PolarHBondContact O-N 2.82Å; R815-L820 HydrophobicContact CB-CD2 4.27Å; R815-L864 PolarHBondContact NH1-O 2.91Å; R815-L864 VanDerWaalsContact NH1-O 3.07Å
816E96.8Very high97.3Very high137 Ų13752.3 Ų52.364%0.6426%0.257SS*.  trans-72.2112.8170.8-174-174-175.200109.2K818 T819 L820E816-K818 VanDerWaalsContact C-N 3.31Å; E816-K818 PolarHBondContact O-N 2.71Å; E816-T819 PolarHBondContact O-N 3.43Å; E816-T819 VanDerWaalsContact O-N 3.17Å; E816-T819 PolarHBondContact OE2-OG1 3.34Å; E816-L820 PolarHBondContact O-N 3.21Å
817G94Very high97.2Very high21 Ų2154.5 Ų54.522%0.21627%0.267CS..Hα-helixtrans-56.4-38.3-167.600000115R815 Q821R815-G817 PolarHBondContact O-N 2.82Å; G817-Q821 WeakPolarHBondContact O-CB 3.42Å; G817-Q821 PolarHBondContact O-N 3.18Å
818K95.4Very high97.1Very high121 Ų12154 Ų5453%0.52627%0.265SS..Hα-helixtrans-74.6-39.1-180-170.3178.7-166.21220113E816 Q821 T822 E946E816-K818 VanDerWaalsContact C-N 3.31Å; E816-K818 PolarHBondContact O-N 2.71Å; K818-Q821 PolarHBondContact O-N 3.12Å; K818-T822 WeakPolarHBondContact O-CB 3.25Å; K818-T822 PolarHBondContact O-N 3Å; K818-T822 PolarHBondContact O-OG1 3.03Å; K818-E946 VanDerWaalsContact CD-OE1 3.31Å; K818-E946 WeakPolarHBondContact CD-OE1 3.23Å; K818-E946 VanDerWaalsContact CE-OE1 3.31Å; K818-E946 WeakPolarHBondContact CE-OE1 3.17Å; K818-E946 WeakPolarHBondContact CG-OE1 3.15Å; K818-E946 IonicContact NZ-OE1 2.78Å; K818-E946 PolarHBondContact NZ-OE1 3.06Å
819T96.9Very high96.9Very high60 Ų6052.6 Ų52.637%0.36826%0.264SS..Hα-helixtrans-62.9-50175.1-59.60000109.6E816 Q821 T822 E823E816-T819 PolarHBondContact O-N 3.43Å; E816-T819 VanDerWaalsContact O-N 3.17Å; E816-T819 PolarHBondContact OE2-OG1 3.34Å; T819-Q821 VanDerWaalsContact C-N 3.34Å; T819-Q821 PolarHBondContact O-N 2.98Å; T819-T822 WeakPolarHBondContact O-CB 3.45Å; T819-T822 PolarHBondContact O-N 3.08Å; T819-T822 VanDerWaalsContact O-N 3.15Å; T819-E823 WeakPolarHBondContact O-CG 3.47Å; T819-E823 PolarHBondContact O-N 3.46Å
820L97.6Very high96.8Very high3 Ų354.7 Ų54.72%0.01627%0.272CS..Hα-helixtrans-57.6-44.9174.617563.6000112.2T781 R815 E816 T822 E823 V824 Y861 L864 R865T781-L820 HydrophobicContact CG2-CD1 3.48Å; T781-L820 VanDerWaalsContact CG2-CD1 3.48Å; R815-L820 HydrophobicContact CB-CD2 4.27Å; E816-L820 PolarHBondContact O-N 3.21Å; L820-T822 VanDerWaalsContact C-N 3.28Å; L820-T822 PolarHBondContact O-N 3.25Å; L820-E823 PolarHBondContact O-N 3.37Å; L820-V824 HydrophobicContact CD1-CG2 3.95Å; L820-V824 HydrophobicContact CG-CG2 4.46Å; L820-V824 VanDerWaalsContact O-CG2 3.3Å; L820-V824 WeakPolarHBondContact O-CG2 3.32Å; L820-V824 PolarHBondContact O-N 2.96Å; L820-Y861 HydrophobicContact CD2-CD2 4.19Å; L820-Y861 HydrophobicContact CD2-CE2 4.2Å; L820-Y861 HydrophobicContact CG-CD2 3.98Å; L820-Y861 HydrophobicContact CG-CE2 4.01Å; L820-L864 HydrophobicContact CD1-CB 4.27Å; L820-L864 HydrophobicContact CD1-CD1 4.27Å; L820-L864 HydrophobicContact CD2-CB 3.85Å; L820-R865 HydrophobicContact CD2-CB 3.78Å
821Q97.4Very high96.6Very high5 Ų557.7 Ų57.72%0.02329%0.287CS..Hα-helixtrans-58.4-43.4177.8-168.8-1685400111.6G817 K818 T819 R825 Y861 W942 L943 E945G817-Q821 WeakPolarHBondContact O-CB 3.42Å; G817-Q821 PolarHBondContact O-N 3.18Å; K818-Q821 PolarHBondContact O-N 3.12Å; T819-Q821 VanDerWaalsContact C-N 3.34Å; T819-Q821 PolarHBondContact O-N 2.98Å; Q821-R825 WeakPolarHBondContact O-CB 3.35Å; Q821-R825 PolarHBondContact O-N 3.32Å; Q821-Y861 VanDerWaalsContact CA-CE2 3.45Å; Q821-Y861 HydrophobicContact CB-CE2 3.72Å; Q821-Y861 WeakPolarHBondContact CB-OH 3.48Å; Q821-Y861 HydrophobicContact CG-CE2 4.13Å; Q821-W942 PolarHBondContact NE2-O 2.7Å; Q821-L943 HydrophobicContact CG-CD1 4.17Å; Q821-E945 PolarHBondContact NE2-O 3.06Å
822T97.3Very high96.3Very high37 Ų3759.6 Ų59.623%0.22729%0.294CS..Hα-helixtrans-65.4-47.6179.4-59.40000111K818 T819 L820 V824 R825 E826K818-T822 WeakPolarHBondContact O-CB 3.25Å; K818-T822 PolarHBondContact O-N 3Å; K818-T822 PolarHBondContact O-OG1 3.03Å; T819-T822 WeakPolarHBondContact O-CB 3.45Å; T819-T822 PolarHBondContact O-N 3.08Å; T819-T822 VanDerWaalsContact O-N 3.15Å; L820-T822 VanDerWaalsContact C-N 3.28Å; L820-T822 PolarHBondContact O-N 3.25Å; T822-V824 PolarHBondContact O-N 2.87Å; T822-R825 PolarHBondContact O-N 3.2Å; T822-E826 HydrophobicContact CG2-CG 4.29Å; T822-E826 VanDerWaalsContact CG2-OE1 3.26Å; T822-E826 WeakPolarHBondContact CG2-OE1 3.38Å; T822-E826 WeakPolarHBondContact O-CB 3.32Å; T822-E826 WeakPolarHBondContact O-CG 3.43Å; T822-E826 PolarHBondContact O-N 3.34Å
823E97.7Very high96Very high81 Ų8162.2 Ų62.238%0.37932%0.319SS..Hα-helixtrans-59.1-44.5177.9-70.4-178.8146.600112.4T781 T819 L820 M827T781-E823 VanDerWaalsContact CB-OE2 3.31Å; T781-E823 WeakPolarHBondContact CB-OE2 3.49Å; T781-E823 HydrophobicContact CG2-CB 4.32Å; T781-E823 WeakPolarHBondContact CG2-OE2 3.4Å; T781-E823 PolarHBondContact OG1-OE2 3.42Å; T819-E823 WeakPolarHBondContact O-CG 3.47Å; T819-E823 PolarHBondContact O-N 3.46Å; L820-E823 PolarHBondContact O-N 3.37Å; E823-M827 VanDerWaalsContact O-CB 3.27Å; E823-M827 WeakPolarHBondContact O-CB 3.11Å; E823-M827 PolarHBondContact O-N 3.35Å
824V97.4Very high95.7Very high0 Ų067 Ų670%034%0.34CS..Hα-helixtrans-67-43.7179.5175.90000111.3Q785 L820 T822 M827 R828 F857 Y861 L943Q785-V824 HydrophobicContact CG-CG2 4.37Å; L820-V824 HydrophobicContact CD1-CG2 3.95Å; L820-V824 HydrophobicContact CG-CG2 4.46Å; L820-V824 VanDerWaalsContact O-CG2 3.3Å; L820-V824 WeakPolarHBondContact O-CG2 3.32Å; L820-V824 PolarHBondContact O-N 2.96Å; T822-V824 PolarHBondContact O-N 2.87Å; V824-M827 PolarHBondContact O-N 3.45Å; V824-R828 WeakPolarHBondContact O-CB 3.49Å; V824-R828 PolarHBondContact O-N 2.93Å; V824-F857 HydrophobicContact CG1-CB 4.34Å; V824-F857 HydrophobicContact CG1-CD1 3.61Å; V824-F857 HydrophobicContact CG1-CE1 4.37Å; V824-F857 HydrophobicContact CG1-CG 4.4Å; V824-Y861 HydrophobicContact CB-CD2 4.48Å; V824-Y861 HydrophobicContact CG2-CD2 4.2Å; V824-L943 HydrophobicContact CB-CD1 3.98Å; V824-L943 HydrophobicContact CG1-CD1 3.76Å
825R96.9Very high95.1Very high51 Ų5167.7 Ų67.719%0.19234%0.338CS..Hα-helixtrans-63.1-49.5178179.7179.759.6-118.9-4.3111.5Q821 T822 M827 R828 E829 W939 L943Q821-R825 WeakPolarHBondContact O-CB 3.35Å; Q821-R825 PolarHBondContact O-N 3.32Å; T822-R825 PolarHBondContact O-N 3.2Å; R825-M827 VanDerWaalsContact C-N 3.31Å; R825-M827 PolarHBondContact O-N 2.98Å; R825-R828 PolarHBondContact O-N 3.22Å; R825-R828 VanDerWaalsContact O-N 3.15Å; R825-E829 WeakPolarHBondContact O-CG 3.42Å; R825-E829 PolarHBondContact O-N 3.15Å; R825-W939 HydrophobicContact CG-CZ2 4.35Å; R825-L943 WeakPolarHBondContact CD-O 3.22Å; R825-L943 PolarHBondContact NH1-O 2.84Å
826E96.6Very high94.1Very high116 Ų11666.1 Ų66.154%0.54234%0.337SS..Hα-helixtrans-61.3-41.1179.2-73.5179.9-174.100111.6T822 E829 K830T822-E826 HydrophobicContact CG2-CG 4.29Å; T822-E826 VanDerWaalsContact CG2-OE1 3.26Å; T822-E826 WeakPolarHBondContact CG2-OE1 3.38Å; T822-E826 WeakPolarHBondContact O-CB 3.32Å; T822-E826 WeakPolarHBondContact O-CG 3.43Å; T822-E826 PolarHBondContact O-N 3.34Å; E826-E829 PolarHBondContact O-N 3.37Å; E826-K830 WeakPolarHBondContact O-CB 3.42Å; E826-K830 PolarHBondContact O-N 3.32Å
827M96.1Very high93.2Very high53 Ų5361.2 Ų61.226%0.26132%0.315SS..Hα-helixtrans-63.5-41.7175.6-17158.468.400111.5W782 E823 V824 R825 K830 M831 F857W782-M827 HydrophobicContact CB-CE 3.96Å; W782-M827 HydrophobicContact CB-CG 4.26Å; W782-M827 HydrophobicContact CG-CE 4.08Å; E823-M827 VanDerWaalsContact O-CB 3.27Å; E823-M827 WeakPolarHBondContact O-CB 3.11Å; E823-M827 PolarHBondContact O-N 3.35Å; V824-M827 PolarHBondContact O-N 3.45Å; R825-M827 VanDerWaalsContact C-N 3.31Å; R825-M827 PolarHBondContact O-N 2.98Å; M827-K830 PolarHBondContact O-N 3.05Å; M827-M831 HydrophobicContact CG-SD 4.45Å; M827-M831 WeakPolarHBondContact O-CG 3.42Å; M827-M831 PolarHBondContact O-N 2.82Å; M827-F857 HydrophobicContact CB-CE1 4.35Å; M827-F857 HydrophobicContact CG-CE1 4.35Å
828R96.4Very high92.6Very high3 Ų369.9 Ų69.91%0.01135%0.347CS..Hα-helixtrans-64.1-45.8178.3-178.159.9-174.798.22.3112.3V824 R825 K830 M831 R832 A847 D848 D854 F857 W939V824-R828 WeakPolarHBondContact O-CB 3.49Å; V824-R828 PolarHBondContact O-N 2.93Å; R825-R828 PolarHBondContact O-N 3.22Å; R825-R828 VanDerWaalsContact O-N 3.15Å; R828-K830 VanDerWaalsContact C-N 3.33Å; R828-M831 PolarHBondContact O-N 3.15Å; R828-R832 VanDerWaalsContact NH1-CB 3.32Å; R828-R832 WeakPolarHBondContact O-CB 3.31Å; R828-R832 PolarHBondContact O-N 3.34Å; R828-A847 PolarHBondContact NH1-O 2.63Å; R828-A847 PolarHBondContact NH2-O 3.36Å; R828-D848 PolarHBondContact NH2-O 2.86Å; R828-D854 IonicContact CZ-OD1 3.43Å; R828-D854 IonicContact NE-OD1 2.71Å; R828-D854 PolarHBondContact NE-OD1 2.97Å; R828-D854 IonicContact NH2-OD1 3.2Å; R828-D854 PolarHBondContact NH2-OD1 3.39Å; R828-F857 HydrophobicContact CB-CD1 3.58Å; R828-F857 HydrophobicContact CB-CE1 3.73Å; R828-F857 HydrophobicContact CB-CG 4.38Å; R828-F857 HydrophobicContact CG-CD1 4.17Å; R828-W939 HydrophobicContact CB-CH2 3.48Å; R828-W939 VanDerWaalsContact CB-CH2 3.48Å; R828-W939 HydrophobicContact CB-CZ2 3.92Å; R828-W939 HydrophobicContact CB-CZ3 4.46Å; R828-W939 HydrophobicContact CG-CH2 3.4Å; R828-W939 VanDerWaalsContact CG-CH2 3.4Å; R828-W939 HydrophobicContact CG-CZ2 3.83Å; R828-W939 HydrophobicContact CG-CZ3 4.06Å
829E94.4Very high92.1Very high104 Ų10469.7 Ų69.749%0.48635%0.347SS..Hα-helixtrans-62-43.4178.3-73.4177-169.400110.9R825 E826 M831 R832 A833R825-E829 WeakPolarHBondContact O-CG 3.42Å; R825-E829 PolarHBondContact O-N 3.15Å; E826-E829 PolarHBondContact O-N 3.37Å; E829-M831 PolarHBondContact O-N 3.27Å; E829-R832 PolarHBondContact O-N 3.43Å; E829-A833 PolarHBondContact O-N 3.24Å
830K94.6Very high91.5Very high128 Ų12878 Ų7856%0.55737%0.372SS*.Hα-helixtrans-58.5-46.1173.3-177.4179.2178.5-177.80111.6E826 M827 R828 A833 H834E826-K830 WeakPolarHBondContact O-CB 3.42Å; E826-K830 PolarHBondContact O-N 3.32Å; M827-K830 PolarHBondContact O-N 3.05Å; R828-K830 VanDerWaalsContact C-N 3.33Å; K830-A833 PolarHBondContact O-N 2.92Å; K830-H834 PolarHBondContact O-CD2 3.03Å; K830-H834 PolarHBondContact O-N 3.22Å
831M93.8Very high91.3Very high63 Ų6382.2 Ų82.231%0.3140%0.395SS..Hα-helixtrans-63.7-42.8176.4-76.3179.263.400112M827 R828 E829 A833 H834 L835 F857M827-M831 HydrophobicContact CG-SD 4.45Å; M827-M831 WeakPolarHBondContact O-CG 3.42Å; M827-M831 PolarHBondContact O-N 2.82Å; R828-M831 PolarHBondContact O-N 3.15Å; E829-M831 PolarHBondContact O-N 3.27Å; M831-A833 VanDerWaalsContact C-N 3.3Å; M831-A833 PolarHBondContact O-N 3.4Å; M831-H834 PolarHBondContact O-N 2.86Å; M831-H834 VanDerWaalsContact O-N 3.12Å; M831-L835 HydrophobicContact CB-CD1 4.34Å; M831-L835 HydrophobicContact CE-CD1 4.04Å; M831-L835 WeakPolarHBondContact O-CB 3.17Å; M831-L835 PolarHBondContact O-N 2.91Å; M831-F857 HydrophobicContact CE-CE2 4.36Å; M831-F857 HydrophobicContact CE-CZ 4.33Å; M831-F857 HydrophobicContact SD-CE1 4.47Å; M831-F857 HydrophobicContact SD-CE2 4.11Å; M831-F857 HydrophobicContact SD-CZ 3.51Å; M831-F857 VanDerWaalsContact SD-CZ 3.51Å
832R93.2Very high91.1Very high40 Ų4086 Ų8615%0.15141%0.409CS..Hα-helixtrans-59-42.4177.6-162.5173.7-68.9159.81.2111.2R828 E829 H834 G836 E849 D854R828-R832 VanDerWaalsContact NH1-CB 3.32Å; R828-R832 WeakPolarHBondContact O-CB 3.31Å; R828-R832 PolarHBondContact O-N 3.34Å; E829-R832 PolarHBondContact O-N 3.43Å; R832-H834 PolarHBondContact O-N 2.64Å; R832-G836 WeakPolarHBondContact O-CA 3.42Å; R832-G836 PolarHBondContact O-N 2.79Å; R832-E849 IonicContact CZ-OE1 3.88Å; R832-E849 VanDerWaalsContact NH1-CD 3.26Å; R832-E849 IonicContact NH1-OE1 2.68Å; R832-E849 PolarHBondContact NH1-OE1 3.08Å; R832-D854 IonicContact CZ-OD1 2.66Å; R832-D854 IonicContact NH2-OD1 3.98Å; R832-D854 PolarHBondContact NH2-OD1 3.39Å; R832-D854 IonicContact NH2-OD2 3.05Å; R832-D854 PolarHBondContact NH2-OD2 3.15Å
833A91.9Very high91Very high86 Ų8684.2 Ų84.271%0.71140%0.398SS*.Hα-helixtrans-63.6-26178.300000114E829 K830 M831E829-A833 PolarHBondContact O-N 3.24Å; K830-A833 PolarHBondContact O-N 2.92Å; M831-A833 VanDerWaalsContact C-N 3.3Å; M831-A833 PolarHBondContact O-N 3.4Å
834H90.2Very high90.9Very high152 Ų15281.9 Ų81.970%0.70439%0.388SS*.Hα-helixtrans-98.6-30-179.8-73.6-64.4000114.4K830 M831 R832K830-H834 PolarHBondContact O-CD2 3.03Å; K830-H834 PolarHBondContact O-N 3.22Å; M831-H834 PolarHBondContact O-N 2.86Å; M831-H834 VanDerWaalsContact O-N 3.12Å; R832-H834 PolarHBondContact O-N 2.64Å
835L85.9Confident90.9Very high111 Ų11181.9 Ų81.958%0.58139%0.388SS*.Hα-helixtrans-113.4-20.1-170.7-66.3165.1000114.2M831 A847M831-L835 HydrophobicContact CB-CD1 4.34Å; M831-L835 HydrophobicContact CE-CD1 4.04Å; M831-L835 WeakPolarHBondContact O-CB 3.17Å; M831-L835 PolarHBondContact O-N 2.91Å; L835-A847 HydrophobicContact CB-CB 4.35Å; L835-A847 WeakPolarHBondContact O-CB 3.35Å
836G75.8Confident90.7Very high17 Ų1783 Ų8318%0.17539%0.394CS..SBendtrans-64.3159.3-179.100000113.1R832 K838 D848R832-G836 WeakPolarHBondContact O-CA 3.42Å; R832-G836 PolarHBondContact O-N 2.79Å; G836-K838 PolarHBondContact O-N 3.14Å; G836-D848 WeakPolarHBondContact CA-OD1 3.47Å
837N77.2Confident90.6Very high34 Ų3478 Ų7818%0.18237%0.372CS..  trans-65.8134.9178-163-35.3000110H839 D844 D848 H922N837-H839 PolarHBondContact O-N 3.15Å; N837-H839 WeakPolarHBondContact OD1-CB 3.32Å; N837-H839 PolarHBondContact OD1-CD2 2.9Å; N837-H839 PolarHBondContact OD1-N 2.91Å; N837-D844 HydrophobicContact CB-CB 4.07Å; N837-D848 PolarHBondContact N-OD1 3.29Å; N837-D848 VanDerWaalsContact N-OD1 3.1Å; N837-H922 WeakPolarHBondContact ND2-CB 3.35Å; N837-H922 PolarHBondContact ND2-CD2 3.2Å; N837-H922 VanDerWaalsContact ND2-CG 3.26Å
838K81.4Confident90.6Very high202 Ų20276.6 Ų76.688%0.87837%0.366SS*.SBendtrans-74.7-17.3177.5-63.1-176.4-179.11740112.5G836G836-K838 PolarHBondContact O-N 3.14Å
839H85.2Confident90.5Very high117 Ų11781.1 Ų81.154%0.54239%0.387SS..  trans-94.6117.7179.9-63.4-75.1000110.1N837 D841 R842N837-H839 PolarHBondContact O-N 3.15Å; N837-H839 WeakPolarHBondContact OD1-CB 3.32Å; N837-H839 PolarHBondContact OD1-CD2 2.9Å; N837-H839 PolarHBondContact OD1-N 2.91Å; H839-D841 VanDerWaalsContact C-N 3.29Å; H839-D841 WeakPolarHBondContact CB-OD1 3.4Å; H839-D841 PolarHBondContact O-N 3.22Å; H839-R842 HydrophobicContact CB-CB 4.32Å; H839-R842 HydrophobicContact CB-CG 3.91Å; H839-R842 PolarHBondContact O-N 3.25Å
840R85.2Confident90.6Very high235 Ų23576.2 Ų76.289%0.88736%0.364SS*.THydrogen-bonded Turntrans-72-23-174.9-66.2179179.7-171.6-2.3113.6R842R840-R842 PolarHBondContact O-N 3.02Å
841D92Very high90.7Very high92 Ų9270.1 Ų70.149%0.49234%0.338SS..THydrogen-bonded Turntrans-823.4177.858.9-51.1000112.9H839 E925H839-D841 VanDerWaalsContact C-N 3.29Å; H839-D841 WeakPolarHBondContact CB-OD1 3.4Å; H839-D841 PolarHBondContact O-N 3.22Å; D841-E925 PolarHBondContact O-N 3.44Å
842R93.5Very high90.8Very high84 Ų8467.1 Ų67.132%0.31732%0.323SS..EExtended strand (participates in β ladder)trans-121.3149.5178.3-56.8-61.7-66.3-167.7-2109.5H839 R840 H922 V923H839-R842 HydrophobicContact CB-CB 4.32Å; H839-R842 HydrophobicContact CB-CG 3.91Å; H839-R842 PolarHBondContact O-N 3.25Å; R840-R842 PolarHBondContact O-N 3.02Å; R842-H922 PolarHBondContact NE-ND1 3.17Å; R842-H922 PolarHBondContact NH2-ND1 3.45Å; R842-H922 PolarHBondContact NH2-O 3.02Å; R842-V923 WeakPolarHBondContact CA-O 3.42Å; R842-V923 PolarHBondContact NE-O 3.4Å
843F95.9Very high91Very high0 Ų065.6 Ų65.60%032%0.318CS..EExtended strand (participates in β ladder)trans-111.1111.2170.6169.6-123.3000109.3I845 D848 L907 H922 V923 F928 R932F843-I845 HydrophobicContact CD1-CG1 4.13Å; F843-I845 HydrophobicContact CE1-CB 4.41Å; F843-I845 HydrophobicContact CE1-CG1 3.97Å; F843-I845 PolarHBondContact O-N 3.05Å; F843-D848 HydrophobicContact CD2-CB 3.81Å; F843-D848 HydrophobicContact CE2-CB 3.99Å; F843-L907 HydrophobicContact CE1-CD2 3.96Å; F843-L907 HydrophobicContact CZ-CD2 4.39Å; F843-H922 CarbonylContact O-C 3.42Å; F843-H922 WeakPolarHBondContact O-CA 3.47Å; F843-V923 HydrophobicContact CB-CG2 4.35Å; F843-V923 HydrophobicContact CD1-CG2 3.9Å; F843-V923 PolarHBondContact N-O 3.13Å; F843-V923 PolarHBondContact O-N 2.84Å; F843-F928 HydrophobicContact CD1-CD2 4.4Å; F843-F928 HydrophobicContact CE1-CB 4.36Å; F843-F928 HydrophobicContact CE1-CD2 4.29Å; F843-R932 HydrophobicContact CD1-CG 4.41Å; F843-R932 HydrophobicContact CD2-CG 4.42Å; F843-R932 VanDerWaalsContact CD2-NE 3.32Å; F843-R932 HydrophobicContact CE1-CG 3.83Å; F843-R932 HydrophobicContact CE2-CG 3.85Å; F843-R932 HydrophobicContact CZ-CG 3.52Å
844D96.1Very high91.2Very high31 Ų3161.6 Ų61.617%0.16629%0.285CS..EExtended strand (participates in β ladder)trans-72.1110.6165.6-163.5-68.1000109.6N837 K846 A847 D848 H922N837-D844 HydrophobicContact CB-CB 4.07Å; D844-K846 PolarHBondContact O-N 2.94Å; D844-K846 PolarHBondContact OD1-N 3.26Å; D844-A847 HydrophobicContact CB-CB 4.17Å; D844-A847 PolarHBondContact O-N 2.88Å; D844-A847 WeakPolarHBondContact OD1-CB 3.5Å; D844-A847 PolarHBondContact OD1-N 2.63Å; D844-D848 HydrophobicContact CB-CB 4.23Å; D844-D848 WeakPolarHBondContact CB-OD2 3.31Å; D844-D848 PolarHBondContact N-OD2 3.42Å; D844-D848 WeakPolarHBondContact O-CB 3.47Å; D844-D848 PolarHBondContact O-N 2.94Å; D844-D848 VanDerWaalsContact O-N 3.16Å; D844-H922 HydrophobicContact CB-CB 4.47Å
845I95.9Very high91.6Very high0 Ų054.3 Ų54.30%025%0.251CS..THydrogen-bonded Turntrans-57.5-29.4-174.1-71.3168.9000111.4F843 G851 I852 L907 E910 L911 L914 G921 V923 F928F843-I845 HydrophobicContact CD1-CG1 4.13Å; F843-I845 HydrophobicContact CE1-CB 4.41Å; F843-I845 HydrophobicContact CE1-CG1 3.97Å; F843-I845 PolarHBondContact O-N 3.05Å; I845-G851 CarbonylContact O-C 3.58Å; I845-G851 WeakPolarHBondContact O-CA 3.41Å; I845-I852 HydrophobicContact CG2-CD1 3.98Å; I845-I852 HydrophobicContact CG2-CG1 4.31Å; I845-I852 PolarHBondContact O-N 2.94Å; I845-L907 HydrophobicContact CG2-CB 3.78Å; I845-L907 HydrophobicContact CG2-CD2 4.11Å; I845-L907 HydrophobicContact CG2-CG 4.43Å; I845-L907 WeakPolarHBondContact CG2-O 3.48Å; I845-E910 HydrophobicContact CD1-CB 4.17Å; I845-E910 HydrophobicContact CD1-CG 3.58Å; I845-L911 HydrophobicContact CB-CD2 3.99Å; I845-L911 HydrophobicContact CB-CG 4.37Å; I845-L911 HydrophobicContact CD1-CD2 4.17Å; I845-L911 HydrophobicContact CG2-CD1 4.22Å; I845-L911 HydrophobicContact CG2-CD2 4.05Å; I845-L911 HydrophobicContact CG2-CG 3.85Å; I845-L914 HydrophobicContact CD1-CD1 3.61Å; I845-G921 PolarHBondContact N-O 2.98Å; I845-G921 VanDerWaalsContact N-O 3.17Å; I845-V923 HydrophobicContact CD1-CG1 3.87Å; I845-V923 HydrophobicContact CD1-CG2 4.19Å; I845-V923 HydrophobicContact CG1-CG2 4.08Å; I845-F928 HydrophobicContact CD1-CE2 4.3Å
846K94.4Very high92.2Very high76 Ų7650 Ų5033%0.3323%0.228SC..THydrogen-bonded Turntrans-92.7-52.3-179.6-173.3178-179.3-176.20112.1D844 T853D844-K846 PolarHBondContact O-N 2.94Å; D844-K846 PolarHBondContact OD1-N 3.26Å; K846-T853 VanDerWaalsContact O-CB 3.3Å; K846-T853 WeakPolarHBondContact O-CB 3.4Å; K846-T853 PolarHBondContact O-N 2.93Å; K846-T853 PolarHBondContact O-OG1 3.43Å
847A94.3Very high93.2Very high9 Ų949.7 Ų49.77%0.07422%0.222CC..THydrogen-bonded Turntrans-94.3-20.6-160.600000115.1R828 L835 D844R828-A847 PolarHBondContact NH1-O 2.63Å; R828-A847 PolarHBondContact NH2-O 3.36Å; L835-A847 HydrophobicContact CB-CB 4.35Å; L835-A847 WeakPolarHBondContact O-CB 3.35Å; D844-A847 HydrophobicContact CB-CB 4.17Å; D844-A847 PolarHBondContact O-N 2.88Å; D844-A847 WeakPolarHBondContact OD1-CB 3.5Å; D844-A847 PolarHBondContact OD1-N 2.63Å
848D95.2Very high94.2Very high24 Ų2448.1 Ų48.113%0.12821%0.213CC..SBendtrans-87.8176.6-175.4-70.3-14.4000113R828 G836 N837 F843 D844 G850 G851R828-D848 PolarHBondContact NH2-O 2.86Å; G836-D848 WeakPolarHBondContact CA-OD1 3.47Å; N837-D848 PolarHBondContact N-OD1 3.29Å; N837-D848 VanDerWaalsContact N-OD1 3.1Å; F843-D848 HydrophobicContact CD2-CB 3.81Å; F843-D848 HydrophobicContact CE2-CB 3.99Å; D844-D848 HydrophobicContact CB-CB 4.23Å; D844-D848 WeakPolarHBondContact CB-OD2 3.31Å; D844-D848 PolarHBondContact N-OD2 3.42Å; D844-D848 WeakPolarHBondContact O-CB 3.47Å; D844-D848 PolarHBondContact O-N 2.94Å; D844-D848 VanDerWaalsContact O-N 3.16Å; D848-G850 PolarHBondContact O-N 3.16Å; D848-G851 PolarHBondContact O-N 3.24Å; D848-G851 VanDerWaalsContact O-N 3.14Å
849E95.2Very high95Very high99 Ų9938.5 Ų38.546%0.46317%0.171SC..THydrogen-bonded Turntrans-65.5131.8179.4-39.2-153.313800111.5R832 G851 D854 R936R832-E849 IonicContact CZ-OE1 3.88Å; R832-E849 VanDerWaalsContact NH1-CD 3.26Å; R832-E849 IonicContact NH1-OE1 2.68Å; R832-E849 PolarHBondContact NH1-OE1 3.08Å; E849-G851 VanDerWaalsContact C-N 3.27Å; E849-D854 WeakPolarHBondContact CA-OD2 3.32Å; E849-R936 HydrophobicContact CB-CG 4.2Å
850G95.6Very high95.6Very high0 Ų033.5 Ų33.50%015%0.149CC..THydrogen-bonded Turntrans80.37.1-174.900000114D848 D854D848-G850 PolarHBondContact O-N 3.16Å; G850-D854 PolarHBondContact N-OD2 3.38Å
851G96.2Very high96.2Very high0 Ų022.3 Ų22.30%011%0.106CC..SBendtrans-85.8-176.3178.500000114.7I845 D848 E849 T853 D854 I855I845-G851 CarbonylContact O-C 3.58Å; I845-G851 WeakPolarHBondContact O-CA 3.41Å; D848-G851 PolarHBondContact O-N 3.24Å; D848-G851 VanDerWaalsContact O-N 3.14Å; E849-G851 VanDerWaalsContact C-N 3.27Å; G851-T853 PolarHBondContact O-N 3.06Å; G851-D854 WeakPolarHBondContact O-CB 3.45Å; G851-D854 PolarHBondContact O-N 3.34Å; G851-I855 PolarHBondContact O-N 3.23Å
852I96.8Very high96.5Very high0 Ų018 Ų180%08%0.083CC..Hα-helixtrans-58.9-43.5-177.3-65.4172.5000111.9I845 D854 I855 E856 Y904 L907 R908 L911I845-I852 HydrophobicContact CG2-CD1 3.98Å; I845-I852 HydrophobicContact CG2-CG1 4.31Å; I845-I852 PolarHBondContact O-N 2.94Å; I852-D854 VanDerWaalsContact C-N 3.25Å; I852-D854 PolarHBondContact O-N 2.74Å; I852-I855 WeakPolarHBondContact O-CB 3.31Å; I852-I855 PolarHBondContact O-N 2.97Å; I852-E856 HydrophobicContact CG2-CG 4.22Å; I852-E856 WeakPolarHBondContact O-CG 3.29Å; I852-E856 PolarHBondContact O-N 3.27Å; I852-Y904 HydrophobicContact CG2-CD2 4.05Å; I852-Y904 HydrophobicContact CG2-CE2 3.88Å; I852-L907 HydrophobicContact CD1-CB 4.11Å; I852-L907 HydrophobicContact CG1-CB 3.73Å; I852-L907 HydrophobicContact CG1-CD1 4.35Å; I852-R908 HydrophobicContact CD1-CB 4.22Å; I852-L911 HydrophobicContact CD1-CD1 3.57Å; I852-L911 HydrophobicContact CD1-CG 4.41Å
853T96.5Very high96.8Very high9 Ų914 Ų146%0.0557%0.068CC..Hα-helixtrans-68.4-24.5-177.6-64.80000112.6K846 G851 E856 F857K846-T853 VanDerWaalsContact O-CB 3.3Å; K846-T853 WeakPolarHBondContact O-CB 3.4Å; K846-T853 PolarHBondContact O-N 2.93Å; K846-T853 PolarHBondContact O-OG1 3.43Å; G851-T853 PolarHBondContact O-N 3.06Å; T853-E856 WeakPolarHBondContact CA-OE2 3.3Å; T853-E856 PolarHBondContact OG1-OE2 3.11Å; T853-E856 VanDerWaalsContact OG1-OE2 3.11Å; T853-F857 HydrophobicContact CG2-CD2 3.71Å; T853-F857 HydrophobicContact CG2-CE2 3.69Å; T853-F857 WeakPolarHBondContact O-CB 3.45Å; T853-F857 WeakPolarHBondContact O-CD2 3.3Å; T853-F857 PolarHBondContact O-N 3.4Å
854D97.6Very high96.9Very high1 Ų114 Ų141%0.0057%0.068CC..Hα-helixtrans-66-43.4170.1-72.85.3000110.8R828 R832 E849 G850 G851 I852 F857 I858 V935 W939R828-D854 IonicContact CZ-OD1 3.43Å; R828-D854 IonicContact NE-OD1 2.71Å; R828-D854 PolarHBondContact NE-OD1 2.97Å; R828-D854 IonicContact NH2-OD1 3.2Å; R828-D854 PolarHBondContact NH2-OD1 3.39Å; R832-D854 IonicContact CZ-OD1 2.66Å; R832-D854 IonicContact NH2-OD1 3.98Å; R832-D854 PolarHBondContact NH2-OD1 3.39Å; R832-D854 IonicContact NH2-OD2 3.05Å; R832-D854 PolarHBondContact NH2-OD2 3.15Å; E849-D854 WeakPolarHBondContact CA-OD2 3.32Å; G850-D854 PolarHBondContact N-OD2 3.38Å; G851-D854 WeakPolarHBondContact O-CB 3.45Å; G851-D854 PolarHBondContact O-N 3.34Å; I852-D854 VanDerWaalsContact C-N 3.25Å; I852-D854 PolarHBondContact O-N 2.74Å; D854-F857 PolarHBondContact O-N 3.48Å; D854-I858 VanDerWaalsContact O-CG1 3.28Å; D854-I858 WeakPolarHBondContact O-CG1 3.5Å; D854-I858 PolarHBondContact O-N 2.88Å; D854-V935 HydrophobicContact CB-CG1 3.7Å; D854-W939 HydrophobicContact CB-CE3 4.06Å
855I98Very high97Very high0 Ų015.1 Ų15.10%07%0.07CC..Hα-helixtrans-64.3-44.6176.5-54.3174.2000110.6G851 I852 F857 I858 T859 L883 L900 A903 V935G851-I855 PolarHBondContact O-N 3.23Å; I852-I855 WeakPolarHBondContact O-CB 3.31Å; I852-I855 PolarHBondContact O-N 2.97Å; I855-F857 VanDerWaalsContact C-N 3.28Å; I855-F857 PolarHBondContact O-N 3.12Å; I855-I858 PolarHBondContact O-N 2.72Å; I855-T859 WeakPolarHBondContact O-CG2 3.45Å; I855-T859 PolarHBondContact O-N 2.86Å; I855-T859 PolarHBondContact O-OG1 3.01Å; I855-L883 HydrophobicContact CG2-CD1 4.39Å; I855-L900 HydrophobicContact CG1-CD2 4.43Å; I855-A903 HydrophobicContact CD1-CB 4.24Å; I855-V935 HydrophobicContact CD1-CG2 3.66Å; I855-V935 HydrophobicContact CG1-CB 4.39Å; I855-V935 HydrophobicContact CG1-CG1 3.71Å; I855-V935 HydrophobicContact CG1-CG2 3.68Å
856E97.3Very high97.1Very high19 Ų1917 Ų179%0.0898%0.077CC..Hα-helixtrans-55.8-43.9174.6-69.6179.9128.900111.6R789 I852 T853 T859 Q860 N879R789-E856 IonicContact CZ-OE1 2.88Å; R789-E856 IonicContact NE-OE1 2.94Å; R789-E856 IonicContact NH1-OE1 2.63Å; R789-E856 PolarHBondContact NH1-OE1 2.95Å; R789-E856 IonicContact NH2-OE1 3.46Å; I852-E856 HydrophobicContact CG2-CG 4.22Å; I852-E856 WeakPolarHBondContact O-CG 3.29Å; I852-E856 PolarHBondContact O-N 3.27Å; T853-E856 WeakPolarHBondContact CA-OE2 3.3Å; T853-E856 PolarHBondContact OG1-OE2 3.11Å; T853-E856 VanDerWaalsContact OG1-OE2 3.11Å; E856-T859 PolarHBondContact O-N 3.45Å; E856-T859 PolarHBondContact O-OG1 3.43Å; E856-Q860 WeakPolarHBondContact O-CB 3.31Å; E856-Q860 WeakPolarHBondContact O-CG 3.49Å; E856-Q860 PolarHBondContact O-N 3.42Å; E856-Q860 PolarHBondContact O-NE2 2.95Å; E856-N879 WeakPolarHBondContact CG-ND2 3.37Å
857F98Very high97.3Very high12 Ų1213.4 Ų13.45%0.0536%0.062CC..Hα-helixtrans-70.7-35.7-179.9-89.2-122.6000112.2V824 M827 R828 M831 T853 D854 I855 Y861 W939V824-F857 HydrophobicContact CG1-CB 4.34Å; V824-F857 HydrophobicContact CG1-CD1 3.61Å; V824-F857 HydrophobicContact CG1-CE1 4.37Å; V824-F857 HydrophobicContact CG1-CG 4.4Å; M827-F857 HydrophobicContact CB-CE1 4.35Å; M827-F857 HydrophobicContact CG-CE1 4.35Å; R828-F857 HydrophobicContact CB-CD1 3.58Å; R828-F857 HydrophobicContact CB-CE1 3.73Å; R828-F857 HydrophobicContact CB-CG 4.38Å; R828-F857 HydrophobicContact CG-CD1 4.17Å; M831-F857 HydrophobicContact CE-CE2 4.36Å; M831-F857 HydrophobicContact CE-CZ 4.33Å; M831-F857 HydrophobicContact SD-CE1 4.47Å; M831-F857 HydrophobicContact SD-CE2 4.11Å; M831-F857 HydrophobicContact SD-CZ 3.51Å; M831-F857 VanDerWaalsContact SD-CZ 3.51Å; T853-F857 HydrophobicContact CG2-CD2 3.71Å; T853-F857 HydrophobicContact CG2-CE2 3.69Å; T853-F857 WeakPolarHBondContact O-CB 3.45Å; T853-F857 WeakPolarHBondContact O-CD2 3.3Å; T853-F857 PolarHBondContact O-N 3.4Å; D854-F857 PolarHBondContact O-N 3.48Å; I855-F857 VanDerWaalsContact C-N 3.28Å; I855-F857 PolarHBondContact O-N 3.12Å; F857-Y861 WeakPolarHBondContact O-CB 3.29Å; F857-Y861 PolarHBondContact O-N 2.72Å; F857-W939 HydrophobicContact CB-CH2 4.22Å; F857-W939 HydrophobicContact CB-CZ3 3.7Å
858I98.1Very high97.4Very high0 Ų017.8 Ų17.80%08%0.081CC..Hα-helixtrans-61.1-48.9173.1-69.7162.1000110.3D854 I855 Y861 L862 M892 L900 W939 L943D854-I858 VanDerWaalsContact O-CG1 3.28Å; D854-I858 WeakPolarHBondContact O-CG1 3.5Å; D854-I858 PolarHBondContact O-N 2.88Å; I855-I858 PolarHBondContact O-N 2.72Å; I858-Y861 PolarHBondContact O-N 3.31Å; I858-L862 HydrophobicContact CG2-CD1 3.86Å; I858-L862 VanDerWaalsContact O-CG 3.27Å; I858-L862 WeakPolarHBondContact O-CG 3.49Å; I858-L862 PolarHBondContact O-N 2.79Å; I858-M892 HydrophobicContact CG2-CE 4.24Å; I858-L900 HydrophobicContact CG2-CD1 4.39Å; I858-W939 HydrophobicContact CD1-CB 4.34Å; I858-W939 HydrophobicContact CD1-CE3 4.29Å; I858-W939 HydrophobicContact CG1-CE3 3.98Å; I858-W939 HydrophobicContact CG1-CZ3 4.48Å; I858-L943 HydrophobicContact CG1-CD2 3.96Å
859T98.1Very high97.5Very high0 Ų023 Ų230%010%0.104CC..Hα-helixtrans-64.9-44.4-179.259.50000111.5I855 E856 L862 V863 N879 I882 L883I855-T859 WeakPolarHBondContact O-CG2 3.45Å; I855-T859 PolarHBondContact O-N 2.86Å; I855-T859 PolarHBondContact O-OG1 3.01Å; E856-T859 PolarHBondContact O-N 3.45Å; E856-T859 PolarHBondContact O-OG1 3.43Å; T859-L862 PolarHBondContact O-N 3.45Å; T859-V863 VanDerWaalsContact O-CG2 3.28Å; T859-V863 WeakPolarHBondContact O-CG2 3.47Å; T859-V863 PolarHBondContact O-N 2.76Å; T859-N879 HydrophobicContact CG2-CB 4.41Å; T859-N879 PolarHBondContact OG1-OD1 3.11Å; T859-I882 HydrophobicContact CG2-CG2 4.17Å; T859-L883 HydrophobicContact CG2-CD1 4.41Å; T859-L883 HydrophobicContact CG2-CD2 3.96Å; T859-L883 HydrophobicContact CG2-CG 3.82Å
860Q98.2Very high97.7Very high13 Ų1321.6 Ų21.66%0.06110%0.097CC..Hα-helixtrans-61-46.8176.8-69.6160.114.400111.9Q785 V788 E856 L862 V863 L864Q785-Q860 HydrophobicContact CB-CB 4.34Å; Q785-Q860 HydrophobicContact CG-CB 4.23Å; V788-Q860 HydrophobicContact CB-CG 4.04Å; V788-Q860 HydrophobicContact CG1-CG 4.2Å; V788-Q860 HydrophobicContact CG2-CB 4.27Å; V788-Q860 HydrophobicContact CG2-CG 4.25Å; E856-Q860 WeakPolarHBondContact O-CB 3.31Å; E856-Q860 WeakPolarHBondContact O-CG 3.49Å; E856-Q860 PolarHBondContact O-N 3.42Å; E856-Q860 PolarHBondContact O-NE2 2.95Å; Q860-L862 PolarHBondContact O-N 2.84Å; Q860-V863 PolarHBondContact O-N 3.14Å; Q860-L864 WeakPolarHBondContact O-CB 3.31Å; Q860-L864 VanDerWaalsContact O-CG 3.3Å; Q860-L864 WeakPolarHBondContact O-CG 3.48Å; Q860-L864 PolarHBondContact O-N 3.43Å
861Y98.4Very high97.7Very high0 Ų023.9 Ų23.90%011%0.111CC..Hα-helixtrans-56.1-51.9177.2168.3-114.5000111.7L820 Q821 V824 F857 I858 V863 L864 R865 W942 L943L820-Y861 HydrophobicContact CD2-CD2 4.19Å; L820-Y861 HydrophobicContact CD2-CE2 4.2Å; L820-Y861 HydrophobicContact CG-CD2 3.98Å; L820-Y861 HydrophobicContact CG-CE2 4.01Å; Q821-Y861 VanDerWaalsContact CA-CE2 3.45Å; Q821-Y861 HydrophobicContact CB-CE2 3.72Å; Q821-Y861 WeakPolarHBondContact CB-OH 3.48Å; Q821-Y861 HydrophobicContact CG-CE2 4.13Å; V824-Y861 HydrophobicContact CB-CD2 4.48Å; V824-Y861 HydrophobicContact CG2-CD2 4.2Å; F857-Y861 WeakPolarHBondContact O-CB 3.29Å; F857-Y861 PolarHBondContact O-N 2.72Å; I858-Y861 PolarHBondContact O-N 3.31Å; Y861-V863 VanDerWaalsContact C-N 3.35Å; Y861-V863 PolarHBondContact O-N 3.48Å; Y861-L864 PolarHBondContact O-N 2.96Å; Y861-R865 HydrophobicContact CE2-CB 4.4Å; Y861-R865 VanDerWaalsContact O-CB 3.29Å; Y861-R865 WeakPolarHBondContact O-CB 3.22Å; Y861-R865 PolarHBondContact O-N 3.28Å; Y861-R865 VanDerWaalsContact OH-CD 3.22Å; Y861-R865 WeakPolarHBondContact OH-CD 3.28Å; Y861-R865 PolarHBondContact OH-NH1 3.15Å; Y861-W942 HydrophobicContact CD1-CB 4.42Å; Y861-W942 HydrophobicContact CE1-CB 4.32Å; Y861-W942 WeakPolarHBondContact CE1-O 3.33Å; Y861-L943 HydrophobicContact CD1-CD1 4Å; Y861-L943 HydrophobicContact CD1-CD2 3.65Å; Y861-L943 HydrophobicContact CD2-CD1 4Å; Y861-L943 HydrophobicContact CE1-CD1 4.42Å; Y861-L943 HydrophobicContact CE1-CD2 4.25Å; Y861-L943 HydrophobicContact CE2-CD1 4.43Å; Y861-L943 HydrophobicContact CG-CD1 3.76Å; Y861-L943 HydrophobicContact CG-CD2 4.09Å
862L98.2Very high97.8Very high0 Ų029.2 Ų29.20%014%0.135CC..Hα-helixtrans-67-36.5-176.1-66173.2000111.9I858 T859 Q860 Y866 L886 I891 M892 W942I858-L862 HydrophobicContact CG2-CD1 3.86Å; I858-L862 VanDerWaalsContact O-CG 3.27Å; I858-L862 WeakPolarHBondContact O-CG 3.49Å; I858-L862 PolarHBondContact O-N 2.79Å; T859-L862 PolarHBondContact O-N 3.45Å; Q860-L862 PolarHBondContact O-N 2.84Å; L862-Y866 HydrophobicContact CB-CD2 4.47Å; L862-Y866 HydrophobicContact CD2-CD2 4.06Å; L862-Y866 HydrophobicContact CD2-CE2 3.72Å; L862-Y866 WeakPolarHBondContact O-CB 3.21Å; L862-Y866 WeakPolarHBondContact O-CD2 3.46Å; L862-Y866 PolarHBondContact O-N 3.08Å; L862-L886 HydrophobicContact CB-CD1 4.04Å; L862-L886 HydrophobicContact CB-CD2 3.55Å; L862-L886 HydrophobicContact CB-CG 4.47Å; L862-L886 HydrophobicContact CD1-CD1 3.75Å; L862-L886 HydrophobicContact CD1-CD2 4.21Å; L862-L886 HydrophobicContact CG-CD2 4.49Å; L862-I891 HydrophobicContact CD2-CG2 4.15Å; L862-M892 HydrophobicContact CD1-CE 3.63Å; L862-W942 HydrophobicContact CD1-CD2 4.34Å; L862-W942 HydrophobicContact CD1-CG 4.48Å; L862-W942 HydrophobicContact CD2-CD2 3.87Å; L862-W942 HydrophobicContact CD2-CE3 3.56Å; L862-W942 HydrophobicContact CD2-CG 4.34Å; L862-W942 HydrophobicContact CD2-CZ3 3.98Å
863V98.3Very high97.9Very high1 Ų129.2 Ų29.21%0.00614%0.135CC..Hα-helixtrans-62.4-51.4172.3172.20000110.4V788 M811 T859 Q860 Y861 R865 Y866 A867 L873 I882V788-V863 HydrophobicContact CG1-CB 4.27Å; V788-V863 HydrophobicContact CG1-CG1 4.25Å; V788-V863 HydrophobicContact CG1-CG2 4.29Å; V788-V863 HydrophobicContact CG2-CB 4.41Å; V788-V863 HydrophobicContact CG2-CG1 4.2Å; M811-V863 HydrophobicContact CG-CG1 4.42Å; M811-V863 HydrophobicContact SD-CG1 3.99Å; T859-V863 VanDerWaalsContact O-CG2 3.28Å; T859-V863 WeakPolarHBondContact O-CG2 3.47Å; T859-V863 PolarHBondContact O-N 2.76Å; Q860-V863 PolarHBondContact O-N 3.14Å; Y861-V863 VanDerWaalsContact C-N 3.35Å; Y861-V863 PolarHBondContact O-N 3.48Å; V863-R865 VanDerWaalsContact C-N 3.3Å; V863-R865 PolarHBondContact O-N 2.83Å; V863-Y866 PolarHBondContact O-N 3.07Å; V863-A867 HydrophobicContact CG1-CB 4.39Å; V863-A867 WeakPolarHBondContact O-CB 3.31Å; V863-A867 PolarHBondContact O-N 3.4Å; V863-L873 HydrophobicContact CG2-CB 4.46Å; V863-I882 HydrophobicContact CG2-CG2 3.57Å
864L98.4Very high97.9Very high0 Ų029.4 Ų29.40%014%0.135CC..Hα-helixtrans-65-32.1-178.5-66.9179.9000113.2H784 Q785 V788 M811 R815 L820 Q860 Y861H784-L864 HydrophobicContact CB-CD1 4.18Å; H784-L864 HydrophobicContact CB-CD2 3.97Å; Q785-L864 HydrophobicContact CB-CD1 4.43Å; Q785-L864 HydrophobicContact CG-CD1 3.69Å; V788-L864 HydrophobicContact CG2-CD2 4.02Å; V788-L864 HydrophobicContact CG2-CG 4.06Å; M811-L864 HydrophobicContact CE-CD2 3.81Å; M811-L864 HydrophobicContact SD-CD2 3.72Å; R815-L864 PolarHBondContact NH1-O 2.91Å; R815-L864 VanDerWaalsContact NH1-O 3.07Å; L820-L864 HydrophobicContact CD1-CB 4.27Å; L820-L864 HydrophobicContact CD1-CD1 4.27Å; L820-L864 HydrophobicContact CD2-CB 3.85Å; Q860-L864 WeakPolarHBondContact O-CB 3.31Å; Q860-L864 VanDerWaalsContact O-CG 3.3Å; Q860-L864 WeakPolarHBondContact O-CG 3.48Å; Q860-L864 PolarHBondContact O-N 3.43Å; Y861-L864 PolarHBondContact O-N 2.96Å
865R98.1Very high97.9Very high54 Ų5436.6 Ų36.620%0.20416%0.163CC..Hα-helixtrans-73.5-47.6178.2-177.3168.5177.4-173.8-3111.8L820 Y861 V863L820-R865 HydrophobicContact CD2-CB 3.78Å; Y861-R865 HydrophobicContact CE2-CB 4.4Å; Y861-R865 VanDerWaalsContact O-CB 3.29Å; Y861-R865 WeakPolarHBondContact O-CB 3.22Å; Y861-R865 PolarHBondContact O-N 3.28Å; Y861-R865 VanDerWaalsContact OH-CD 3.22Å; Y861-R865 WeakPolarHBondContact OH-CD 3.28Å; Y861-R865 PolarHBondContact OH-NH1 3.15Å; V863-R865 VanDerWaalsContact C-N 3.3Å; V863-R865 PolarHBondContact O-N 2.83Å
866Y98.2Very high97.9Very high40 Ų4042.1 Ų42.116%0.15718%0.184CC..Hα-helixtrans-107.6-10-165.7-66.1-71.4000114.9L862 V863 H868 E869 K870 I891L862-Y866 HydrophobicContact CB-CD2 4.47Å; L862-Y866 HydrophobicContact CD2-CD2 4.06Å; L862-Y866 HydrophobicContact CD2-CE2 3.72Å; L862-Y866 WeakPolarHBondContact O-CB 3.21Å; L862-Y866 WeakPolarHBondContact O-CD2 3.46Å; L862-Y866 PolarHBondContact O-N 3.08Å; V863-Y866 PolarHBondContact O-N 3.07Å; Y866-H868 PolarHBondContact O-N 3.01Å; Y866-E869 PolarHBondContact O-N 3.41Å; Y866-K870 PolarHBondContact O-N 2.9Å; Y866-I891 HydrophobicContact CD1-CD1 3.83Å; Y866-I891 HydrophobicContact CD2-CD1 4.17Å; Y866-I891 HydrophobicContact CD2-CG1 4.43Å; Y866-I891 HydrophobicContact CD2-CG2 3.48Å; Y866-I891 VanDerWaalsContact CD2-CG2 3.48Å; Y866-I891 HydrophobicContact CE1-CD1 4.42Å; Y866-I891 HydrophobicContact CE2-CG2 3.68Å; Y866-I891 HydrophobicContact CG-CD1 3.67Å; Y866-I891 HydrophobicContact CG-CG1 4.26Å; Y866-I891 HydrophobicContact CG-CG2 4.13Å
867A98.2Very high97.9Very high0 Ų041.5 Ų41.50%018%0.181CC..THydrogen-bonded Turntrans-64.1-23.1-178.300000113.5M811 T812 V863 E869 K870 P871 L873 T874M811-A867 HydrophobicContact CB-CB 4.23Å; T812-A867 HydrophobicContact CG2-CB 4.23Å; T812-A867 WeakPolarHBondContact CG2-O 3.28Å; V863-A867 HydrophobicContact CG1-CB 4.39Å; V863-A867 WeakPolarHBondContact O-CB 3.31Å; V863-A867 PolarHBondContact O-N 3.4Å; A867-E869 VanDerWaalsContact C-N 3.34Å; A867-K870 CarbonylContact O-C 3.3Å; A867-K870 VanDerWaalsContact O-C 3.3Å; A867-P871 VanDerWaalsContact O-CA 3.25Å; A867-P871 WeakPolarHBondContact O-CA 3.39Å; A867-P871 VanDerWaalsContact O-N 3.12Å; A867-L873 HydrophobicContact CB-CB 4.37Å; A867-T874 HydrophobicContact CB-CG2 3.91Å
868H98Very high97.9Very high102 Ų10241.4 Ų41.447%0.47218%0.181SC..THydrogen-bonded Turntrans-59.6-44.7170.3-173.568.1000111.7T812 Y866T812-H868 WeakPolarHBondContact O-CB 3.46Å; T812-H868 PolarHBondContact O-ND1 3.48Å; Y866-H868 PolarHBondContact O-N 3.01Å
869E97.3Very high97.8Very high134 Ų13441.4 Ų41.463%0.62618%0.181SC*.THydrogen-bonded Turntrans-82.8-32.6179-62.7178.7-116.400112.4Y866 A867Y866-E869 PolarHBondContact O-N 3.41Å; A867-E869 VanDerWaalsContact C-N 3.34Å
870K97.6Very high97.7Very high69 Ų6943.5 Ų43.530%0.319%0.194SC..  trans-12775-176.6-55.1-65.5-175.1160.90110.7Y866 A867 K872 L873 N889 I891Y866-K870 PolarHBondContact O-N 2.9Å; A867-K870 CarbonylContact O-C 3.3Å; A867-K870 VanDerWaalsContact O-C 3.3Å; K870-K872 PolarHBondContact O-N 3.24Å; K870-L873 HydrophobicContact CB-CD1 4.03Å; K870-L873 HydrophobicContact CB-CG 4Å; K870-L873 WeakPolarHBondContact O-CB 3.42Å; K870-L873 WeakPolarHBondContact O-CG 3.45Å; K870-L873 PolarHBondContact O-N 3.19Å; K870-N889 HydrophobicContact CB-CB 4.19Å; K870-N889 HydrophobicContact CD-CB 4.28Å; K870-N889 WeakPolarHBondContact CE-O 3.12Å; K870-N889 HydrophobicContact CG-CB 4.2Å; K870-I891 HydrophobicContact CG-CD1 4.05Å
871P97.3Very high97.7Very high48 Ų4845.7 Ų45.731%0.31220%0.201SC..G310 helixtrans-60.5-14.2-177.1-25.634.6000114.9T812 A867 L873 T874T812-P871 HydrophobicContact CG2-CB 4.09Å; T812-P871 HydrophobicContact CG2-CG 4.41Å; A867-P871 VanDerWaalsContact O-CA 3.25Å; A867-P871 WeakPolarHBondContact O-CA 3.39Å; A867-P871 VanDerWaalsContact O-N 3.12Å; P871-L873 PolarHBondContact O-N 2.91Å; P871-T874 PolarHBondContact O-N 2.83Å; P871-T874 PolarHBondContact O-OG1 2.97Å; P871-T874 VanDerWaalsContact O-OG1 3.1Å
872K97.6Very high97.6Very high112 Ų11245.7 Ų45.749%0.48720%0.202SC..G310 helixtrans-65.5-20.7174.8-64.3-178.6-175.8170.50112.8K870 T874 R875K870-K872 PolarHBondContact O-N 3.24Å; K872-T874 PolarHBondContact O-N 3.49Å; K872-T874 VanDerWaalsContact O-N 3.14Å; K872-R875 WeakPolarHBondContact O-CD 3.39Å; K872-R875 VanDerWaalsContact O-CG 3.27Å; K872-R875 WeakPolarHBondContact O-CG 3.28Å; K872-R875 PolarHBondContact O-N 3.41Å
873L97.9Very high97.6Very high0 Ų045.7 Ų45.70%020%0.202CC..G310 helixtrans-62.4-15.8176.1-63.9-179.2000113V863 A867 K870 P871 L885 L886 N889 I891V863-L873 HydrophobicContact CG2-CB 4.46Å; A867-L873 HydrophobicContact CB-CB 4.37Å; K870-L873 HydrophobicContact CB-CD1 4.03Å; K870-L873 HydrophobicContact CB-CG 4Å; K870-L873 WeakPolarHBondContact O-CB 3.42Å; K870-L873 WeakPolarHBondContact O-CG 3.45Å; K870-L873 PolarHBondContact O-N 3.19Å; P871-L873 PolarHBondContact O-N 2.91Å; L873-L885 HydrophobicContact CD2-CB 3.95Å; L873-L885 WeakPolarHBondContact CD2-O 3.42Å; L873-L886 HydrophobicContact CD1-CD2 4.12Å; L873-L886 HydrophobicContact CD2-CD2 3.93Å; L873-L886 HydrophobicContact CD2-CG 4.3Å; L873-N889 HydrophobicContact CD2-CB 4.11Å; L873-I891 HydrophobicContact CD1-CG1 4.21Å
874T97.5Very high97.6Very high12 Ų1250.4 Ų50.47%0.07422%0.223CC..G310 helixtrans-88.4-0.4-177.877.70000113.9R807 R808 M811 T812 A867 P871 K872R807-T874 PolarHBondContact NH1-O 3.17Å; R808-T874 HydrophobicContact CG-CG2 4.39Å; M811-T874 HydrophobicContact CB-CG2 3.5Å; M811-T874 VanDerWaalsContact CB-CG2 3.5Å; M811-T874 HydrophobicContact CG-CG2 4.06Å; T812-T874 HydrophobicContact CG2-CG2 4.13Å; A867-T874 HydrophobicContact CB-CG2 3.91Å; P871-T874 PolarHBondContact O-N 2.83Å; P871-T874 PolarHBondContact O-OG1 2.97Å; P871-T874 VanDerWaalsContact O-OG1 3.1Å; K872-T874 PolarHBondContact O-N 3.49Å; K872-T874 VanDerWaalsContact O-N 3.14Å
875R97.3Very high97.6Very high152 Ų15250.6 Ų50.657%0.57422%0.224SC*.SBendtrans-70-32.3-170.9-73.2173175.1-176.6-5.8114K872 L885K872-R875 WeakPolarHBondContact O-CD 3.39Å; K872-R875 VanDerWaalsContact O-CG 3.27Å; K872-R875 WeakPolarHBondContact O-CG 3.28Å; K872-R875 PolarHBondContact O-N 3.41Å; R875-L885 HydrophobicContact CB-CD1 4.07Å
876W97.8Very high97.6Very high117 Ų11748 Ų4844%0.44322%0.215SC..  trans-124.3166.8-178.6-61.1119.1000110.5R807 R881 L885R807-W876 PolarHBondContact NH2-O 3.26Å; R807-W876 VanDerWaalsContact NH2-O 3.12Å; W876-R881 HydrophobicContact CB-CB 3.63Å; W876-R881 HydrophobicContact CD2-CB 4.36Å; W876-R881 HydrophobicContact CG-CB 3.61Å; W876-R881 HydrophobicContact CG-CG 4.32Å; W876-L885 HydrophobicContact CB-CD1 4.15Å; W876-L885 HydrophobicContact CG-CD1 4.29Å
877S97.5Very high97.6Very high5 Ų547.2 Ų47.24%0.03522%0.216CC..  trans-125.9-12.4-17457.10000114G692 V788G692-S877 PolarHBondContact O-OG 3.35Å; V788-S877 WeakPolarHBondContact O-CA 3.09Å; V788-S877 WeakPolarHBondContact O-CB 3.4Å
878D97.2Very high97.5Very high11 Ų1152.4 Ų52.46%0.05924%0.241CC..SBendtrans-93.9153.3176.660.7-72.5000112.4G693 W694 V880 R881 I882G693-D878 WeakPolarHBondContact O-CB 3.35Å; W694-D878 HydrophobicContact CB-CB 4.19Å; D878-V880 VanDerWaalsContact C-N 3.34Å; D878-V880 PolarHBondContact O-N 2.97Å; D878-R881 VanDerWaalsContact CG-NE 3.26Å; D878-R881 PolarHBondContact O-N 2.88Å; D878-R881 IonicContact OD1-CZ 3.5Å; D878-R881 IonicContact OD1-NE 2.77Å; D878-R881 PolarHBondContact OD1-NE 3.29Å; D878-R881 IonicContact OD1-NH2 3.03Å; D878-R881 PolarHBondContact OD1-NH2 3.33Å; D878-R881 WeakPolarHBondContact OD2-CB 3.35Å; D878-R881 WeakPolarHBondContact OD2-CG 3.46Å; D878-R881 IonicContact OD2-CZ 3.86Å; D878-R881 PolarHBondContact OD2-N 2.88Å; D878-R881 IonicContact OD2-NE 2.74Å; D878-R881 PolarHBondContact OD2-NE 2.81Å; D878-R881 IonicContact OD2-NH2 3.29Å; D878-I882 WeakPolarHBondContact O-CB 3.42Å; D878-I882 WeakPolarHBondContact O-CD1 3.2Å; D878-I882 WeakPolarHBondContact O-CG1 3.24Å; D878-I882 PolarHBondContact O-N 2.74Å
879N96.6Very high97.5Very high0 Ų048.1 Ų48.10%022%0.221CC..Hα-helixtrans-63-38.2-171.7-62.7-12000112.9R789 E856 T859 I882 L883 Y904R789-N879 PolarHBondContact NE-OD1 3.09Å; R789-N879 VanDerWaalsContact NH2-CG 3.26Å; R789-N879 PolarHBondContact NH2-ND2 2.88Å; R789-N879 PolarHBondContact NH2-OD1 3.44Å; R789-N879 VanDerWaalsContact NH2-OD1 3.11Å; E856-N879 WeakPolarHBondContact CG-ND2 3.37Å; T859-N879 HydrophobicContact CG2-CB 4.41Å; T859-N879 PolarHBondContact OG1-OD1 3.11Å; N879-I882 PolarHBondContact O-N 2.97Å; N879-L883 WeakPolarHBondContact O-CB 3.47Å; N879-L883 WeakPolarHBondContact O-CD1 3.44Å; N879-L883 VanDerWaalsContact O-CG 3.25Å; N879-L883 WeakPolarHBondContact O-CG 3.32Å; N879-L883 PolarHBondContact O-N 3.18Å; N879-Y904 HydrophobicContact CB-CD1 4.19Å; N879-Y904 HydrophobicContact CB-CD2 4.31Å; N879-Y904 HydrophobicContact CB-CE1 4.04Å; N879-Y904 HydrophobicContact CB-CE2 4.17Å; N879-Y904 HydrophobicContact CB-CG 4.31Å; N879-Y904 WeakPolarHBondContact ND2-CD2 3.39Å; N879-Y904 WeakPolarHBondContact ND2-CE2 3.46Å
880V96.5Very high97.5Very high43 Ų4348.4 Ų48.426%0.26123%0.227SC..Hα-helixtrans-63-53.8-177.6175.70000110.2D878 I882 L883 E884 T901 Y904 T905D878-V880 VanDerWaalsContact C-N 3.34Å; D878-V880 PolarHBondContact O-N 2.97Å; V880-I882 VanDerWaalsContact C-N 3.34Å; V880-I882 PolarHBondContact O-N 2.77Å; V880-L883 PolarHBondContact O-N 3.35Å; V880-E884 PolarHBondContact O-N 3.47Å; V880-T901 HydrophobicContact CB-CG2 4.48Å; V880-T901 HydrophobicContact CG1-CG2 3.93Å; V880-T901 HydrophobicContact CG2-CG2 4.26Å; V880-Y904 HydrophobicContact CG2-CD1 3.81Å; V880-Y904 HydrophobicContact CG2-CE1 3.81Å; V880-T905 HydrophobicContact CG2-CG2 4.09Å
881R96.8Very high97.4Very high59 Ų5946.2 Ų46.222%0.22322%0.219CC..Hα-helixtrans-72.6-27.1179.7-68.3179.3-69.6-162.7-6.8112.4W876 D878 L885W876-R881 HydrophobicContact CB-CB 3.63Å; W876-R881 HydrophobicContact CD2-CB 4.36Å; W876-R881 HydrophobicContact CG-CB 3.61Å; W876-R881 HydrophobicContact CG-CG 4.32Å; D878-R881 VanDerWaalsContact CG-NE 3.26Å; D878-R881 PolarHBondContact O-N 2.88Å; D878-R881 IonicContact OD1-CZ 3.5Å; D878-R881 IonicContact OD1-NE 2.77Å; D878-R881 PolarHBondContact OD1-NE 3.29Å; D878-R881 IonicContact OD1-NH2 3.03Å; D878-R881 PolarHBondContact OD1-NH2 3.33Å; D878-R881 WeakPolarHBondContact OD2-CB 3.35Å; D878-R881 WeakPolarHBondContact OD2-CG 3.46Å; D878-R881 IonicContact OD2-CZ 3.86Å; D878-R881 PolarHBondContact OD2-N 2.88Å; D878-R881 IonicContact OD2-NE 2.74Å; D878-R881 PolarHBondContact OD2-NE 2.81Å; D878-R881 IonicContact OD2-NH2 3.29Å; R881-L885 WeakPolarHBondContact O-CB 3.22Å; R881-L885 WeakPolarHBondContact O-CG 3.42Å; R881-L885 PolarHBondContact O-N 2.82Å
882I98.1Very high97.4Very high1 Ų144.2 Ų44.21%0.00521%0.205CC..Hα-helixtrans-67-45171.1-70.1167.1000111V788 T859 V863 D878 N879 V880 E884 L885 L886V788-I882 HydrophobicContact CG1-CD1 3.79Å; T859-I882 HydrophobicContact CG2-CG2 4.17Å; V863-I882 HydrophobicContact CG2-CG2 3.57Å; D878-I882 WeakPolarHBondContact O-CB 3.42Å; D878-I882 WeakPolarHBondContact O-CD1 3.2Å; D878-I882 WeakPolarHBondContact O-CG1 3.24Å; D878-I882 PolarHBondContact O-N 2.74Å; N879-I882 PolarHBondContact O-N 2.97Å; V880-I882 VanDerWaalsContact C-N 3.34Å; V880-I882 PolarHBondContact O-N 2.77Å; I882-E884 VanDerWaalsContact C-N 3.3Å; I882-E884 PolarHBondContact O-N 2.76Å; I882-L885 CarbonylContact O-C 3.44Å; I882-L885 WeakPolarHBondContact O-CB 3.17Å; I882-L885 PolarHBondContact O-N 2.98Å; I882-L885 VanDerWaalsContact O-N 3.14Å; I882-L886 HydrophobicContact CG2-CD1 3.99Å; I882-L886 HydrophobicContact CG2-CG 4.3Å; I882-L886 VanDerWaalsContact O-CG 3.31Å; I882-L886 WeakPolarHBondContact O-CG 3.47Å; I882-L886 PolarHBondContact O-N 3.17Å
883L98Very high97.4Very high0 Ų045.6 Ų45.60%021%0.213CC..Hα-helixtrans-61-40.3175.7-74.9164.7000111.5I855 T859 N879 V880 L886 A887 M892 L900 T901I855-L883 HydrophobicContact CG2-CD1 4.39Å; T859-L883 HydrophobicContact CG2-CD1 4.41Å; T859-L883 HydrophobicContact CG2-CD2 3.96Å; T859-L883 HydrophobicContact CG2-CG 3.82Å; N879-L883 WeakPolarHBondContact O-CB 3.47Å; N879-L883 WeakPolarHBondContact O-CD1 3.44Å; N879-L883 VanDerWaalsContact O-CG 3.25Å; N879-L883 WeakPolarHBondContact O-CG 3.32Å; N879-L883 PolarHBondContact O-N 3.18Å; V880-L883 PolarHBondContact O-N 3.35Å; L883-L886 HydrophobicContact CD2-CD1 4.3Å; L883-L886 PolarHBondContact O-N 3.07Å; L883-A887 PolarHBondContact O-N 2.9Å; L883-A887 VanDerWaalsContact O-N 3.08Å; L883-M892 HydrophobicContact CD2-CE 4.43Å; L883-M892 HydrophobicContact CD2-SD 3.94Å; L883-L900 HydrophobicContact CD1-CB 3.83Å; L883-L900 HydrophobicContact CD2-CB 3.93Å; L883-L900 HydrophobicContact CD2-CD1 3.89Å; L883-T901 WeakPolarHBondContact CD1-OG1 3.48Å
884E97.6Very high97.3Very high99 Ų9952.8 Ų52.846%0.46325%0.247SC..Hα-helixtrans-60.1-45.6172.3-167.4-169.3165.700111.6V880 I882 L886 A887 Q888V880-E884 PolarHBondContact O-N 3.47Å; I882-E884 VanDerWaalsContact C-N 3.3Å; I882-E884 PolarHBondContact O-N 2.76Å; E884-L886 VanDerWaalsContact C-N 3.34Å; E884-L886 PolarHBondContact O-N 3.14Å; E884-A887 PolarHBondContact O-N 3.33Å; E884-Q888 WeakPolarHBondContact O-CB 3.44Å; E884-Q888 VanDerWaalsContact O-CG 3.28Å; E884-Q888 WeakPolarHBondContact O-CG 3Å; E884-Q888 PolarHBondContact O-N 3.02Å; E884-Q888 PolarHBondContact OE1-NE2 3.24Å
885L97.8Very high97.3Very high4 Ų459.1 Ų59.12%0.02128%0.276CS..Hα-helixtrans-63.9-36.9175.9-72.5171.9000112.3L873 R875 W876 R881 I882 A887 Q888 N889L873-L885 HydrophobicContact CD2-CB 3.95Å; L873-L885 WeakPolarHBondContact CD2-O 3.42Å; R875-L885 HydrophobicContact CB-CD1 4.07Å; W876-L885 HydrophobicContact CB-CD1 4.15Å; W876-L885 HydrophobicContact CG-CD1 4.29Å; R881-L885 WeakPolarHBondContact O-CB 3.22Å; R881-L885 WeakPolarHBondContact O-CG 3.42Å; R881-L885 PolarHBondContact O-N 2.82Å; I882-L885 CarbonylContact O-C 3.44Å; I882-L885 WeakPolarHBondContact O-CB 3.17Å; I882-L885 PolarHBondContact O-N 2.98Å; I882-L885 VanDerWaalsContact O-N 3.14Å; L885-A887 VanDerWaalsContact C-N 3.33Å; L885-Q888 PolarHBondContact O-N 2.8Å; L885-N889 WeakPolarHBondContact O-CB 3.42Å; L885-N889 PolarHBondContact O-N 2.98Å; L885-N889 PolarHBondContact O-ND2 3.33Å
886L98.2Very high97.3Very high0 Ų053 Ų530%025%0.254CS..Hα-helixtrans-63.2-40.2176.8-73.1166.7000111.5L862 L873 I882 L883 E884 D890 I891 M892L862-L886 HydrophobicContact CB-CD1 4.04Å; L862-L886 HydrophobicContact CB-CD2 3.55Å; L862-L886 HydrophobicContact CB-CG 4.47Å; L862-L886 HydrophobicContact CD1-CD1 3.75Å; L862-L886 HydrophobicContact CD1-CD2 4.21Å; L862-L886 HydrophobicContact CG-CD2 4.49Å; L873-L886 HydrophobicContact CD1-CD2 4.12Å; L873-L886 HydrophobicContact CD2-CD2 3.93Å; L873-L886 HydrophobicContact CD2-CG 4.3Å; I882-L886 HydrophobicContact CG2-CD1 3.99Å; I882-L886 HydrophobicContact CG2-CG 4.3Å; I882-L886 VanDerWaalsContact O-CG 3.31Å; I882-L886 WeakPolarHBondContact O-CG 3.47Å; I882-L886 PolarHBondContact O-N 3.17Å; L883-L886 HydrophobicContact CD2-CD1 4.3Å; L883-L886 PolarHBondContact O-N 3.07Å; E884-L886 VanDerWaalsContact C-N 3.34Å; E884-L886 PolarHBondContact O-N 3.14Å; L886-D890 PolarHBondContact O-N 3.32Å; L886-I891 HydrophobicContact CB-CB 4.48Å; L886-I891 HydrophobicContact CD2-CB 3.87Å; L886-I891 HydrophobicContact CD2-CG1 4.23Å; L886-I891 HydrophobicContact CD2-CG2 3.77Å; L886-I891 PolarHBondContact O-N 3Å; L886-M892 HydrophobicContact CB-CB 4.16Å; L886-M892 PolarHBondContact O-N 3.31Å
887A97.8Very high97.3Very high23 Ų2347.7 Ų47.719%0.1923%0.234CC..Hα-helixtrans-67.5-48.7172.700000112.2L883 E884 L885 N889 D890 M892 A897L883-A887 PolarHBondContact O-N 2.9Å; L883-A887 VanDerWaalsContact O-N 3.08Å; E884-A887 PolarHBondContact O-N 3.33Å; L885-A887 VanDerWaalsContact C-N 3.33Å; A887-N889 PolarHBondContact O-N 3Å; A887-N889 VanDerWaalsContact O-N 3.08Å; A887-D890 PolarHBondContact O-N 3.49Å; A887-D890 VanDerWaalsContact O-N 3.15Å; A887-M892 WeakPolarHBondContact CA-O 3.33Å; A887-A897 HydrophobicContact CB-CB 3.86Å
888Q97.3Very high97.2Very high109 Ų10952.4 Ų52.451%0.50926%0.257SS..Hα-helixtrans-63.1-16.3-179.8-72.7174.76.500114.5E884 L885E884-Q888 WeakPolarHBondContact O-CB 3.44Å; E884-Q888 VanDerWaalsContact O-CG 3.28Å; E884-Q888 WeakPolarHBondContact O-CG 3Å; E884-Q888 PolarHBondContact O-N 3.02Å; E884-Q888 PolarHBondContact OE1-NE2 3.24Å; L885-Q888 PolarHBondContact O-N 2.8Å
889N97.7Very high97.2Very high12 Ų1252.5 Ų52.56%0.06426%0.259CS..THydrogen-bonded Turntrans-113.416.5-179.6-68.2-88.4000113.2K870 L873 L885 A887 I891K870-N889 HydrophobicContact CB-CB 4.19Å; K870-N889 HydrophobicContact CD-CB 4.28Å; K870-N889 WeakPolarHBondContact CE-O 3.12Å; K870-N889 HydrophobicContact CG-CB 4.2Å; L873-N889 HydrophobicContact CD2-CB 4.11Å; L885-N889 WeakPolarHBondContact O-CB 3.42Å; L885-N889 PolarHBondContact O-N 2.98Å; L885-N889 PolarHBondContact O-ND2 3.33Å; A887-N889 PolarHBondContact O-N 3Å; A887-N889 VanDerWaalsContact O-N 3.08Å; N889-I891 VanDerWaalsContact C-N 3.27Å; N889-I891 PolarHBondContact O-N 3.08Å
890D96.8Very high97.3Very high140 Ų14052.5 Ų52.575%0.74926%0.259SS*.THydrogen-bonded Turntrans60.829.9174.4-46.3-62.1000114L886 A887L886-D890 PolarHBondContact O-N 3.32Å; A887-D890 PolarHBondContact O-N 3.49Å; A887-D890 VanDerWaalsContact O-N 3.15Å
891I96.9Very high97.3Very high24 Ų2451.5 Ų51.512%0.12325%0.253CS..SBendtrans-88.5-42.1174.4-56.1-53.1000110.5L862 Y866 K870 L873 L886 N889 W942L862-I891 HydrophobicContact CD2-CG2 4.15Å; Y866-I891 HydrophobicContact CD1-CD1 3.83Å; Y866-I891 HydrophobicContact CD2-CD1 4.17Å; Y866-I891 HydrophobicContact CD2-CG1 4.43Å; Y866-I891 HydrophobicContact CD2-CG2 3.48Å; Y866-I891 VanDerWaalsContact CD2-CG2 3.48Å; Y866-I891 HydrophobicContact CE1-CD1 4.42Å; Y866-I891 HydrophobicContact CE2-CG2 3.68Å; Y866-I891 HydrophobicContact CG-CD1 3.67Å; Y866-I891 HydrophobicContact CG-CG1 4.26Å; Y866-I891 HydrophobicContact CG-CG2 4.13Å; K870-I891 HydrophobicContact CG-CD1 4.05Å; L873-I891 HydrophobicContact CD1-CG1 4.21Å; L886-I891 HydrophobicContact CB-CB 4.48Å; L886-I891 HydrophobicContact CD2-CB 3.87Å; L886-I891 HydrophobicContact CD2-CG1 4.23Å; L886-I891 HydrophobicContact CD2-CG2 3.77Å; L886-I891 PolarHBondContact O-N 3Å; N889-I891 VanDerWaalsContact C-N 3.27Å; N889-I891 PolarHBondContact O-N 3.08Å; I891-W942 WeakPolarHBondContact O-CH2 3.36Å
892M96.7Very high97.3Very high6 Ų656 Ų563%0.0327%0.271CS..SBendtrans-124.5140-178.9-175.5176.2-81.200109.2I858 L862 L883 L886 A887 E896 A897 L900 W942I858-M892 HydrophobicContact CG2-CE 4.24Å; L862-M892 HydrophobicContact CD1-CE 3.63Å; L883-M892 HydrophobicContact CD2-CE 4.43Å; L883-M892 HydrophobicContact CD2-SD 3.94Å; L886-M892 HydrophobicContact CB-CB 4.16Å; L886-M892 PolarHBondContact O-N 3.31Å; A887-M892 WeakPolarHBondContact CA-O 3.33Å; M892-E896 HydrophobicContact CE-CG 4.25Å; M892-E896 HydrophobicContact CG-CB 3.79Å; M892-E896 HydrophobicContact CG-CG 3.9Å; M892-E896 HydrophobicContact SD-CB 4.18Å; M892-E896 HydrophobicContact SD-CG 3.84Å; M892-A897 HydrophobicContact CG-CB 4.13Å; M892-A897 WeakPolarHBondContact SD-CA 3.44Å; M892-A897 HydrophobicContact SD-CB 3.8Å; M892-L900 HydrophobicContact CE-CD1 3.59Å; M892-L900 HydrophobicContact SD-CD1 3.8Å; M892-W942 HydrophobicContact CB-CZ2 4.46Å; M892-W942 HydrophobicContact CE-CZ2 4.38Å; M892-W942 HydrophobicContact CG-CZ2 4.48Å
893E96.8Very high97.3Very high140 Ų14056.1 Ų56.165%0.65427%0.271SS*.  trans-61.5141.1173.1-68-175.6170.200110Q895 E896 A897E893-Q895 PolarHBondContact O-N 2.83Å; E893-Q895 VanDerWaalsContact O-N 3.12Å; E893-E896 PolarHBondContact O-N 2.88Å; E893-A897 PolarHBondContact O-N 3.1Å
894E96.4Very high97.2Very high151 Ų15156.2 Ų56.271%0.70627%0.272SS*.Hα-helixtrans-53.8-37.2-178-172.4178.7-178.300112.2E896 A897 M898E894-E896 PolarHBondContact O-N 2.92Å; E894-A897 PolarHBondContact O-N 3.31Å; E894-M898 VanDerWaalsContact O-CB 3.28Å; E894-M898 WeakPolarHBondContact O-CB 3.27Å; E894-M898 PolarHBondContact O-N 2.8Å
895Q96.9Very high97Very high146 Ų14652.1 Ų52.168%0.68225%0.254SS*.Hα-helixtrans-63.1-41.4177.7-175.559.357.700112.8E893 A899E893-Q895 PolarHBondContact O-N 2.83Å; E893-Q895 VanDerWaalsContact O-N 3.12Å; Q895-A899 WeakPolarHBondContact O-CB 3.34Å; Q895-A899 PolarHBondContact O-N 2.94Å; Q895-A899 VanDerWaalsContact O-N 3.12Å
896E97.8Very high96.9Very high24 Ų2454.2 Ų54.211%0.11227%0.266CS..Hα-helixtrans-72.1-42.9177.5-175.9-178.6-173.700110.8M892 E893 E894 M898 A899 L900 S938 K941 W942M892-E896 HydrophobicContact CE-CG 4.25Å; M892-E896 HydrophobicContact CG-CB 3.79Å; M892-E896 HydrophobicContact CG-CG 3.9Å; M892-E896 HydrophobicContact SD-CB 4.18Å; M892-E896 HydrophobicContact SD-CG 3.84Å; E893-E896 PolarHBondContact O-N 2.88Å; E894-E896 PolarHBondContact O-N 2.92Å; E896-M898 PolarHBondContact O-N 3.37Å; E896-A899 WeakPolarHBondContact O-CB 3.46Å; E896-A899 PolarHBondContact O-N 2.77Å; E896-L900 HydrophobicContact CG-CD1 4.3Å; E896-L900 PolarHBondContact O-N 3.26Å; E896-S938 WeakPolarHBondContact OE1-CB 3.41Å; E896-S938 PolarHBondContact OE1-OG 3.2Å; E896-K941 IonicContact OE2-NZ 3.39Å; E896-K941 PolarHBondContact OE2-NZ 2.76Å; E896-W942 PolarHBondContact OE1-NE1 2.66Å; E896-W942 PolarHBondContact OE2-NE1 3.4Å
897A97.5Very high96.9Very high4 Ų454.2 Ų54.23%0.03327%0.266CS..Hα-helixtrans-62.3-44.617900000112.2A887 M892 E893 E894 A899 T901A887-A897 HydrophobicContact CB-CB 3.86Å; M892-A897 HydrophobicContact CG-CB 4.13Å; M892-A897 WeakPolarHBondContact SD-CA 3.44Å; M892-A897 HydrophobicContact SD-CB 3.8Å; E893-A897 PolarHBondContact O-N 3.1Å; E894-A897 PolarHBondContact O-N 3.31Å; A897-A899 VanDerWaalsContact C-N 3.33Å; A897-T901 WeakPolarHBondContact O-CB 3.46Å; A897-T901 PolarHBondContact O-N 3.14Å; A897-T901 PolarHBondContact O-OG1 3.45Å
898M96.5Very high96.7Very high105 Ų10553.7 Ų53.752%0.51726%0.259SS..Hα-helixtrans-66.6-37.4176.7-170.960.265.200111.6E894 E896 T901 R902E894-M898 VanDerWaalsContact O-CB 3.28Å; E894-M898 WeakPolarHBondContact O-CB 3.27Å; E894-M898 PolarHBondContact O-N 2.8Å; E896-M898 PolarHBondContact O-N 3.37Å; M898-T901 WeakPolarHBondContact O-CB 3.25Å; M898-T901 PolarHBondContact O-N 3.04Å; M898-R902 WeakPolarHBondContact O-CG 3.33Å; M898-R902 PolarHBondContact O-N 3.22Å
899A97.3Very high96.4Very high13 Ų1349.3 Ų49.311%0.10724%0.24CC..Hα-helixtrans-65.1-46.9176.800000112.8Q895 E896 A897 T901 R902 A903 L934Q895-A899 WeakPolarHBondContact O-CB 3.34Å; Q895-A899 PolarHBondContact O-N 2.94Å; Q895-A899 VanDerWaalsContact O-N 3.12Å; E896-A899 WeakPolarHBondContact O-CB 3.46Å; E896-A899 PolarHBondContact O-N 2.77Å; A897-A899 VanDerWaalsContact C-N 3.33Å; A899-T901 VanDerWaalsContact C-N 3.3Å; A899-T901 PolarHBondContact O-N 3Å; A899-R902 PolarHBondContact O-N 2.69Å; A899-A903 PolarHBondContact O-N 2.82Å; A899-L934 HydrophobicContact CB-CD1 3.5Å; A899-L934 HydrophobicContact CB-CD2 3.84Å; A899-L934 HydrophobicContact CB-CG 4.17Å
900L98Very high96.3Very high0 Ų051.1 Ų51.10%025%0.248CC..Hα-helixtrans-63.8-36.6173.1-73.9174.2000111.9I855 I858 L883 M892 E896 A903 Y904 L934 V935I855-L900 HydrophobicContact CG1-CD2 4.43Å; I858-L900 HydrophobicContact CG2-CD1 4.39Å; L883-L900 HydrophobicContact CD1-CB 3.83Å; L883-L900 HydrophobicContact CD2-CB 3.93Å; L883-L900 HydrophobicContact CD2-CD1 3.89Å; M892-L900 HydrophobicContact CE-CD1 3.59Å; M892-L900 HydrophobicContact SD-CD1 3.8Å; E896-L900 HydrophobicContact CG-CD1 4.3Å; E896-L900 PolarHBondContact O-N 3.26Å; L900-A903 PolarHBondContact O-N 3.23Å; L900-Y904 VanDerWaalsContact O-CB 3.32Å; L900-Y904 WeakPolarHBondContact O-CB 3.5Å; L900-Y904 PolarHBondContact O-N 2.89Å; L900-L934 HydrophobicContact CD2-CD2 3.81Å; L900-L934 HydrophobicContact CG-CD2 4.14Å; L900-V935 HydrophobicContact CD2-CB 4.45Å; L900-V935 HydrophobicContact CD2-CG2 3.94Å
901T96.9Very high96.3Very high22 Ų2246.5 Ų46.514%0.13522%0.223CC..Hα-helixtrans-60.6-48.6176.1-63.70000110.3V880 L883 A897 M898 A899 Y904 T905V880-T901 HydrophobicContact CB-CG2 4.48Å; V880-T901 HydrophobicContact CG1-CG2 3.93Å; V880-T901 HydrophobicContact CG2-CG2 4.26Å; L883-T901 WeakPolarHBondContact CD1-OG1 3.48Å; A897-T901 WeakPolarHBondContact O-CB 3.46Å; A897-T901 PolarHBondContact O-N 3.14Å; A897-T901 PolarHBondContact O-OG1 3.45Å; M898-T901 WeakPolarHBondContact O-CB 3.25Å; M898-T901 PolarHBondContact O-N 3.04Å; A899-T901 VanDerWaalsContact C-N 3.3Å; A899-T901 PolarHBondContact O-N 3Å; T901-Y904 PolarHBondContact O-N 3.36Å; T901-T905 WeakPolarHBondContact O-CG2 3.16Å; T901-T905 PolarHBondContact O-N 3.42Å; T901-T905 PolarHBondContact O-OG1 3.27Å; T901-T905 VanDerWaalsContact O-OG1 3.13Å
902R96Very high96.1Very high154 Ų15445.6 Ų45.658%0.58122%0.218SC*.Hα-helixtrans-63.8-43.7177.2-74.4179.558-135.8-10.3112.3M898 A899 Y904 T905 T906M898-R902 WeakPolarHBondContact O-CG 3.33Å; M898-R902 PolarHBondContact O-N 3.22Å; A899-R902 PolarHBondContact O-N 2.69Å; R902-Y904 VanDerWaalsContact C-N 3.35Å; R902-Y904 PolarHBondContact O-N 3Å; R902-T905 WeakPolarHBondContact CA-OG1 3.3Å; R902-T905 PolarHBondContact O-N 2.99Å; R902-T905 PolarHBondContact O-OG1 2.96Å; R902-T906 WeakPolarHBondContact O-CB 3.19Å; R902-T906 PolarHBondContact O-N 3.2Å; R902-T906 PolarHBondContact O-OG1 3.22Å
903A97.4Very high96Very high3 Ų349.8 Ų49.83%0.02524%0.237CC..Hα-helixtrans-59.8-46.8176.500000111I855 A899 L900 T905 T906 L907 E931 V935I855-A903 HydrophobicContact CD1-CB 4.24Å; A899-A903 PolarHBondContact O-N 2.82Å; L900-A903 PolarHBondContact O-N 3.23Å; A903-T905 PolarHBondContact O-N 2.65Å; A903-T906 PolarHBondContact O-N 3.26Å; A903-L907 WeakPolarHBondContact O-CB 3.08Å; A903-L907 WeakPolarHBondContact O-CG 3.35Å; A903-L907 PolarHBondContact O-N 2.92Å; A903-E931 HydrophobicContact CB-CB 4Å; A903-E931 HydrophobicContact CB-CG 4.08Å; A903-V935 HydrophobicContact CB-CG2 3.88Å
904Y96.7Very high96Very high2 Ų243.6 Ų43.61%0.00821%0.209CC..Hα-helixtrans-58.3-49.2176.8170.1-107.3000112.1E695 I852 N879 V880 L900 T901 R902 L907 R908E695-Y904 VanDerWaalsContact CD-OH 3.3Å; E695-Y904 HydrophobicContact CG-CE2 4.44Å; E695-Y904 WeakPolarHBondContact CG-OH 3.41Å; E695-Y904 PolarHBondContact OE2-OH 3.42Å; I852-Y904 HydrophobicContact CG2-CD2 4.05Å; I852-Y904 HydrophobicContact CG2-CE2 3.88Å; N879-Y904 HydrophobicContact CB-CD1 4.19Å; N879-Y904 HydrophobicContact CB-CD2 4.31Å; N879-Y904 HydrophobicContact CB-CE1 4.04Å; N879-Y904 HydrophobicContact CB-CE2 4.17Å; N879-Y904 HydrophobicContact CB-CG 4.31Å; N879-Y904 WeakPolarHBondContact ND2-CD2 3.39Å; N879-Y904 WeakPolarHBondContact ND2-CE2 3.46Å; V880-Y904 HydrophobicContact CG2-CD1 3.81Å; V880-Y904 HydrophobicContact CG2-CE1 3.81Å; L900-Y904 VanDerWaalsContact O-CB 3.32Å; L900-Y904 WeakPolarHBondContact O-CB 3.5Å; L900-Y904 PolarHBondContact O-N 2.89Å; T901-Y904 PolarHBondContact O-N 3.36Å; R902-Y904 VanDerWaalsContact C-N 3.35Å; R902-Y904 PolarHBondContact O-N 3Å; Y904-L907 PolarHBondContact O-N 3.22Å; Y904-R908 VanDerWaalsContact O-CB 3.22Å; Y904-R908 WeakPolarHBondContact O-CB 3.47Å; Y904-R908 PolarHBondContact O-N 3.49Å
905T94.6Very high95.9Very high13 Ų1337.8 Ų37.88%0.0819%0.186CC..Hα-helixtrans-67.2-42.8-177.555.40000111.6M640 V880 T901 R902 A903 L907 R908 D909M640-T905 HydrophobicContact CE-CG2 3.5Å; M640-T905 WeakPolarHBondContact SD-CB 3.03Å; M640-T905 HydrophobicContact SD-CG2 3.7Å; V880-T905 HydrophobicContact CG2-CG2 4.09Å; T901-T905 WeakPolarHBondContact O-CG2 3.16Å; T901-T905 PolarHBondContact O-N 3.42Å; T901-T905 PolarHBondContact O-OG1 3.27Å; T901-T905 VanDerWaalsContact O-OG1 3.13Å; R902-T905 WeakPolarHBondContact CA-OG1 3.3Å; R902-T905 PolarHBondContact O-N 2.99Å; R902-T905 PolarHBondContact O-OG1 2.96Å; A903-T905 PolarHBondContact O-N 2.65Å; T905-L907 PolarHBondContact O-N 2.96Å; T905-R908 PolarHBondContact O-N 2.85Å; T905-D909 WeakPolarHBondContact O-CB 3.37Å; T905-D909 PolarHBondContact O-N 2.72Å
906T95.8Very high95.8Very high47 Ų4730.9 Ų30.929%0.28815%0.154SC..Hα-helixtrans-58.3-48.7175.8-63.40000111.5R902 A903 D909 E910 F928 E931R902-T906 WeakPolarHBondContact O-CB 3.19Å; R902-T906 PolarHBondContact O-N 3.2Å; R902-T906 PolarHBondContact O-OG1 3.22Å; A903-T906 PolarHBondContact O-N 3.26Å; T906-D909 PolarHBondContact O-N 3.5Å; T906-E910 PolarHBondContact O-N 2.77Å; T906-F928 HydrophobicContact CG2-CD1 3.91Å; T906-F928 HydrophobicContact CG2-CE1 3.68Å; T906-E931 HydrophobicContact CG2-CG 4.46Å
907L96.5Very high95.7Very high0 Ų032 Ų320%016%0.159CC..Hα-helixtrans-66.4-41.5-179.4-69.2179.5000112F843 I845 I852 A903 Y904 T905 E910 L911 F928F843-L907 HydrophobicContact CE1-CD2 3.96Å; F843-L907 HydrophobicContact CZ-CD2 4.39Å; I845-L907 HydrophobicContact CG2-CB 3.78Å; I845-L907 HydrophobicContact CG2-CD2 4.11Å; I845-L907 HydrophobicContact CG2-CG 4.43Å; I845-L907 WeakPolarHBondContact CG2-O 3.48Å; I852-L907 HydrophobicContact CD1-CB 4.11Å; I852-L907 HydrophobicContact CG1-CB 3.73Å; I852-L907 HydrophobicContact CG1-CD1 4.35Å; A903-L907 WeakPolarHBondContact O-CB 3.08Å; A903-L907 WeakPolarHBondContact O-CG 3.35Å; A903-L907 PolarHBondContact O-N 2.92Å; Y904-L907 PolarHBondContact O-N 3.22Å; T905-L907 PolarHBondContact O-N 2.96Å; L907-E910 PolarHBondContact O-N 3.46Å; L907-L911 PolarHBondContact O-N 3Å; L907-F928 HydrophobicContact CD2-CB 3.91Å; L907-F928 HydrophobicContact CD2-CD1 4.12Å; L907-F928 HydrophobicContact CD2-CD2 3.98Å; L907-F928 HydrophobicContact CD2-CG 3.72Å
908R94.1Very high95.6Very high12 Ų1237 Ų375%0.04518%0.182CC..Hα-helixtrans-65.3-43.7177.3-177-162.567175.40.9111.4M640 E695 I852 Y904 T905 E910 L911 H912M640-R908 PolarHBondContact O-NH2 2.92Å; E695-R908 HydrophobicContact CG-CG 3.98Å; I852-R908 HydrophobicContact CD1-CB 4.22Å; Y904-R908 VanDerWaalsContact O-CB 3.22Å; Y904-R908 WeakPolarHBondContact O-CB 3.47Å; Y904-R908 PolarHBondContact O-N 3.49Å; T905-R908 PolarHBondContact O-N 2.85Å; R908-E910 VanDerWaalsContact C-N 3.3Å; R908-E910 PolarHBondContact O-N 3.21Å; R908-L911 WeakPolarHBondContact O-CB 3.28Å; R908-L911 PolarHBondContact O-N 3.46Å; R908-L911 VanDerWaalsContact O-N 3.13Å; R908-H912 PolarHBondContact O-N 3.11Å
909D92.2Very high95.5Very high18 Ų1836.8 Ų36.810%0.09618%0.182CC..Hα-helixtrans-68.4-32.8-178.3-66.6-2.1000110.8V639 M640 T905 T906 L911 H912 H913V639-D909 HydrophobicContact CB-CB 4.33Å; V639-D909 HydrophobicContact CG1-CB 3.84Å; V639-D909 WeakPolarHBondContact CG1-OD2 3.49Å; V639-D909 HydrophobicContact CG2-CB 3.58Å; M640-D909 WeakPolarHBondContact CG-OD2 3.23Å; T905-D909 WeakPolarHBondContact O-CB 3.37Å; T905-D909 PolarHBondContact O-N 2.72Å; T906-D909 PolarHBondContact O-N 3.5Å; D909-L911 VanDerWaalsContact C-N 3.34Å; D909-L911 PolarHBondContact O-N 3.12Å; D909-H912 WeakPolarHBondContact O-CB 3.47Å; D909-H912 PolarHBondContact O-N 3.02Å; D909-H912 VanDerWaalsContact O-N 3.17Å; D909-H913 PolarHBondContact O-N 2.96Å; D909-H913 VanDerWaalsContact O-N 3.09Å
910E95.4Very high95.3Very high49 Ų4939.2 Ų39.223%0.22920%0.197CC..Hα-helixtrans-62.5-38169.8-176.565.6-165.700112.4I845 T906 L907 R908 H912 H913 L914 F928I845-E910 HydrophobicContact CD1-CB 4.17Å; I845-E910 HydrophobicContact CD1-CG 3.58Å; T906-E910 PolarHBondContact O-N 2.77Å; L907-E910 PolarHBondContact O-N 3.46Å; R908-E910 VanDerWaalsContact C-N 3.3Å; R908-E910 PolarHBondContact O-N 3.21Å; E910-H912 PolarHBondContact O-N 3.17Å; E910-H913 WeakPolarHBondContact O-CB 3.15Å; E910-H913 PolarHBondContact O-N 3.24Å; E910-H913 VanDerWaalsContact O-N 3.15Å; E910-H913 IonicContact OE1-CD2 2.81Å; E910-L914 HydrophobicContact CG-CD1 4.12Å; E910-L914 HydrophobicContact CG-CG 4.31Å; E910-L914 WeakPolarHBondContact O-CG 3.31Å; E910-L914 PolarHBondContact O-N 3.25Å; E910-F928 HydrophobicContact CB-CE2 4.32Å; E910-F928 HydrophobicContact CB-CZ 3.82Å; E910-F928 HydrophobicContact CG-CE2 3.75Å; E910-F928 HydrophobicContact CG-CZ 3.53Å
911L95.4Very high95.1Very high43 Ų4340.6 Ų40.623%0.22521%0.212CC..Hα-helixtrans-62.5-33.3174.6-70.8178.4000112.2I845 I852 L907 R908 D909 L914 A915I845-L911 HydrophobicContact CB-CD2 3.99Å; I845-L911 HydrophobicContact CB-CG 4.37Å; I845-L911 HydrophobicContact CD1-CD2 4.17Å; I845-L911 HydrophobicContact CG2-CD1 4.22Å; I845-L911 HydrophobicContact CG2-CD2 4.05Å; I845-L911 HydrophobicContact CG2-CG 3.85Å; I852-L911 HydrophobicContact CD1-CD1 3.57Å; I852-L911 HydrophobicContact CD1-CG 4.41Å; L907-L911 PolarHBondContact O-N 3Å; R908-L911 WeakPolarHBondContact O-CB 3.28Å; R908-L911 PolarHBondContact O-N 3.46Å; R908-L911 VanDerWaalsContact O-N 3.13Å; D909-L911 VanDerWaalsContact C-N 3.34Å; D909-L911 PolarHBondContact O-N 3.12Å; L911-L914 HydrophobicContact CD2-CD1 4.43Å; L911-A915 WeakPolarHBondContact O-CB 3.26Å; L911-A915 PolarHBondContact O-N 3.37Å
912H93.6Very high94.9Very high6 Ų642 Ų423%0.02822%0.217CC..Hα-helixtrans-67.1-43.3172.9-62.4-40000111.1V639 S643 L696 Y698 R908 D909 E910 A915 L916V639-H912 HydrophobicContact CG2-CB 4.21Å; S643-H912 PolarHBondContact OG-CE1 3.33Å; S643-H912 VanDerWaalsContact OG-CE1 3.24Å; S643-H912 PolarHBondContact OG-NE2 3.45Å; L696-H912 PolarHBondContact O-CE1 3.37Å; Y698-H912 HydrophobicContact CE2-CB 4.28Å; R908-H912 PolarHBondContact O-N 3.11Å; D909-H912 WeakPolarHBondContact O-CB 3.47Å; D909-H912 PolarHBondContact O-N 3.02Å; D909-H912 VanDerWaalsContact O-N 3.17Å; E910-H912 PolarHBondContact O-N 3.17Å; H912-A915 WeakPolarHBondContact O-CB 3.41Å; H912-A915 PolarHBondContact O-N 3.34Å; H912-L916 WeakPolarHBondContact O-CG 3.42Å; H912-L916 PolarHBondContact O-N 2.95Å
913H94.3Very high94.9Very high93 Ų9335.3 Ų35.343%0.43119%0.192SC..Hα-helixtrans-60.2-48.2175.3-178.566.5000112D909 E910 A915 L916 Q917D909-H913 PolarHBondContact O-N 2.96Å; D909-H913 VanDerWaalsContact O-N 3.09Å; E910-H913 WeakPolarHBondContact O-CB 3.15Å; E910-H913 PolarHBondContact O-N 3.24Å; E910-H913 VanDerWaalsContact O-N 3.15Å; E910-H913 IonicContact OE1-CD2 2.81Å; H913-A915 VanDerWaalsContact C-N 3.3Å; H913-A915 PolarHBondContact O-N 3.01Å; H913-L916 WeakPolarHBondContact O-CB 3.32Å; H913-L916 PolarHBondContact O-N 3.5Å; H913-Q917 WeakPolarHBondContact O-CG 3.42Å; H913-Q917 PolarHBondContact O-N 3.38Å; H913-Q917 VanDerWaalsContact O-N 3.12Å
914L95.9Very high94.8Very high11 Ų1137.2 Ų37.26%0.05821%0.206CC..Hα-helixtrans-61.2-39176.7-68.2170.6000111.8I845 E910 L911 Q917 E918 L919 V923I845-L914 HydrophobicContact CD1-CD1 3.61Å; E910-L914 HydrophobicContact CG-CD1 4.12Å; E910-L914 HydrophobicContact CG-CG 4.31Å; E910-L914 WeakPolarHBondContact O-CG 3.31Å; E910-L914 PolarHBondContact O-N 3.25Å; L911-L914 HydrophobicContact CD2-CD1 4.43Å; L914-Q917 CarbonylContact O-C 3.45Å; L914-Q917 PolarHBondContact O-N 3.29Å; L914-Q917 VanDerWaalsContact O-N 3.13Å; L914-E918 PolarHBondContact O-N 3.33Å; L914-E918 VanDerWaalsContact O-N 3.08Å; L914-L919 HydrophobicContact CB-CB 4.34Å; L914-L919 HydrophobicContact CD2-CB 3.82Å; L914-L919 HydrophobicContact CD2-CD1 4Å; L914-L919 PolarHBondContact O-N 3.33Å; L914-V923 HydrophobicContact CD1-CG1 3.88Å; L914-V923 HydrophobicContact CD2-CG1 4.29Å
915A95.3Very high94.7Very high28 Ų2841.9 Ų41.923%0.23123%0.227CC..Hα-helixtrans-62.2-44.1174.900000111.9M564 Y698 L911 H912 H913 Q917 E918M564-A915 WeakPolarHBondContact CB-O 3.47Å; Y698-A915 HydrophobicContact CD2-CB 4.15Å; L911-A915 WeakPolarHBondContact O-CB 3.26Å; L911-A915 PolarHBondContact O-N 3.37Å; H912-A915 WeakPolarHBondContact O-CB 3.41Å; H912-A915 PolarHBondContact O-N 3.34Å; H913-A915 VanDerWaalsContact C-N 3.3Å; H913-A915 PolarHBondContact O-N 3.01Å; A915-Q917 PolarHBondContact O-N 3.16Å; A915-E918 PolarHBondContact O-N 3.39Å
916L95.2Very high94.7Very high2 Ų247 Ų471%0.0126%0.255CS..Hα-helixtrans-59.3-29.8174.4-71.2170.2000112.3S562 P563 M564 A629 D632 I633 Y698 H912 H913S562-L916 WeakPolarHBondContact CB-O 3.42Å; S562-L916 PolarHBondContact OG-O 2.94Å; P563-L916 VanDerWaalsContact CD-O 3.23Å; P563-L916 WeakPolarHBondContact CD-O 3.23Å; M564-L916 WeakPolarHBondContact CB-O 3.39Å; M564-L916 HydrophobicContact CE-CD2 3.65Å; M564-L916 PolarHBondContact N-O 2.72Å; M564-L916 HydrophobicContact SD-CD2 4.45Å; A629-L916 HydrophobicContact CB-CD2 3.79Å; D632-L916 HydrophobicContact CB-CD1 4.37Å; D632-L916 WeakPolarHBondContact OD2-CD1 3.43Å; I633-L916 HydrophobicContact CD1-CB 4.45Å; I633-L916 HydrophobicContact CD1-CD1 3.88Å; I633-L916 HydrophobicContact CG1-CD1 3.99Å; I633-L916 HydrophobicContact CG1-CD2 4.2Å; Y698-L916 HydrophobicContact CE2-CD2 4.05Å; Y698-L916 HydrophobicContact CE2-CG 4.05Å; H912-L916 WeakPolarHBondContact O-CG 3.42Å; H912-L916 PolarHBondContact O-N 2.95Å; H913-L916 WeakPolarHBondContact O-CB 3.32Å; H913-L916 PolarHBondContact O-N 3.5Å
917Q96.1Very high94.7Very high47 Ų4747.1 Ų47.122%0.2226%0.256CS..THydrogen-bonded Turntrans-91.33.2177.1-59-50.7-46.600114.6A561 P563 H913 L914 A915 L919A561-Q917 PolarHBondContact O-NE2 3.3Å; P563-Q917 VanDerWaalsContact CG-O 3.24Å; P563-Q917 WeakPolarHBondContact CG-O 3.48Å; H913-Q917 WeakPolarHBondContact O-CG 3.42Å; H913-Q917 PolarHBondContact O-N 3.38Å; H913-Q917 VanDerWaalsContact O-N 3.12Å; L914-Q917 CarbonylContact O-C 3.45Å; L914-Q917 PolarHBondContact O-N 3.29Å; L914-Q917 VanDerWaalsContact O-N 3.13Å; A915-Q917 PolarHBondContact O-N 3.16Å; Q917-L919 HydrophobicContact CB-CB 4.46Å; Q917-L919 HydrophobicContact CB-CD1 3.91Å; Q917-L919 HydrophobicContact CB-CG 3.84Å; Q917-L919 PolarHBondContact O-N 3.29Å; Q917-L919 VanDerWaalsContact O-N 3.16Å
918E94.6Very high94.7Very high108 Ų10848.9 Ų48.951%0.50526%0.264SS..THydrogen-bonded Turntrans50.232.1-171.7-65.9-169.814600113.1P563 M564 S567 L914 A915P563-E918 HydrophobicContact CB-CG 4.32Å; P563-E918 HydrophobicContact CG-CB 4.23Å; P563-E918 HydrophobicContact CG-CG 4.28Å; M564-E918 HydrophobicContact CB-CG 4.06Å; S567-E918 VanDerWaalsContact CB-OE1 3.3Å; S567-E918 WeakPolarHBondContact CB-OE1 3.03Å; S567-E918 PolarHBondContact OG-OE1 3.49Å; S567-E918 PolarHBondContact OG-OE2 2.91Å; L914-E918 PolarHBondContact O-N 3.33Å; L914-E918 VanDerWaalsContact O-N 3.08Å; A915-E918 PolarHBondContact O-N 3.39Å
919L94.8Very high94.8Very high101 Ų10152.1 Ų52.153%0.52929%0.285SS..  trans-93.2150.6176.8-68.1179.3000111L914 Q917L914-L919 HydrophobicContact CB-CB 4.34Å; L914-L919 HydrophobicContact CD2-CB 3.82Å; L914-L919 HydrophobicContact CD2-CD1 4Å; L914-L919 PolarHBondContact O-N 3.33Å; Q917-L919 HydrophobicContact CB-CB 4.46Å; Q917-L919 HydrophobicContact CB-CD1 3.91Å; Q917-L919 HydrophobicContact CB-CG 3.84Å; Q917-L919 PolarHBondContact O-N 3.29Å; Q917-L919 VanDerWaalsContact O-N 3.16Å
920P92.3Very high95.1Very high65 Ų6554.2 Ų54.242%0.42231%0.305SS..  trans-65.9153.1175.829.5-35.8000111.1H922P920-H922 VanDerWaalsContact CG-CE1 3.43Å; P920-H922 WeakPolarHBondContact CG-CE1 3.27Å; P920-H922 PolarHBondContact O-N 3.47Å
921G93.5Very high95.2Very high29 Ų2953.9 Ų53.930%0.29930%0.304SS..SBendtrans-69.226.918000000116I845I845-G921 PolarHBondContact N-O 2.98Å; I845-G921 VanDerWaalsContact N-O 3.17Å
922H94.4Very high95.3Very high52 Ų5254 Ų5424%0.24130%0.301CS..EExtended strand (participates in β ladder)trans-129.9134.31776460.4000111.6N837 R842 F843 D844 P920N837-H922 WeakPolarHBondContact ND2-CB 3.35Å; N837-H922 PolarHBondContact ND2-CD2 3.2Å; N837-H922 VanDerWaalsContact ND2-CG 3.26Å; R842-H922 PolarHBondContact NE-ND1 3.17Å; R842-H922 PolarHBondContact NH2-ND1 3.45Å; R842-H922 PolarHBondContact NH2-O 3.02Å; F843-H922 CarbonylContact O-C 3.42Å; F843-H922 WeakPolarHBondContact O-CA 3.47Å; D844-H922 HydrophobicContact CB-CB 4.47Å; P920-H922 VanDerWaalsContact CG-CE1 3.43Å; P920-H922 WeakPolarHBondContact CG-CE1 3.27Å; P920-H922 PolarHBondContact O-N 3.47Å
923V95.2Very high95.4Very high12 Ų1259.9 Ų59.97%0.07333%0.329CS..EExtended strand (participates in β ladder)trans-114.8-178.9-176.2-66.40000111.4R842 F843 I845 L914 C927 F928R842-V923 WeakPolarHBondContact CA-O 3.42Å; R842-V923 PolarHBondContact NE-O 3.4Å; F843-V923 HydrophobicContact CB-CG2 4.35Å; F843-V923 HydrophobicContact CD1-CG2 3.9Å; F843-V923 PolarHBondContact N-O 3.13Å; F843-V923 PolarHBondContact O-N 2.84Å; I845-V923 HydrophobicContact CD1-CG1 3.87Å; I845-V923 HydrophobicContact CD1-CG2 4.19Å; I845-V923 HydrophobicContact CG1-CG2 4.08Å; L914-V923 HydrophobicContact CD1-CG1 3.88Å; L914-V923 HydrophobicContact CD2-CG1 4.29Å; V923-C927 HydrophobicContact CB-CB 4.22Å; V923-C927 HydrophobicContact CG2-CB 3.66Å; V923-F928 HydrophobicContact CG2-CD2 4.05Å; V923-F928 HydrophobicContact CG2-CE2 4.05Å
924S95.4Very high95.6Very high43 Ų4358.3 Ų58.330%0.30132%0.323SS..EExtended strand (participates in β ladder)trans-59.1148.1172.5-169.10000110.6D926 C927S924-D926 PolarHBondContact O-N 2.91Å; S924-D926 VanDerWaalsContact O-N 3.14Å; S924-D926 PolarHBondContact OG-OD2 3.34Å; S924-C927 WeakPolarHBondContact O-CB 3.35Å; S924-C927 PolarHBondContact O-N 3.41Å; S924-C927 VanDerWaalsContact O-N 3.12Å
925E93.7Very high95.7Very high100 Ų10057.8 Ų57.847%0.46732%0.32SS..THydrogen-bonded Turntrans-60.2-20.6174.167.3176.4159.700113.7D841 C927 R932D841-E925 PolarHBondContact O-N 3.44Å; E925-C927 VanDerWaalsContact C-N 3.29Å; E925-C927 PolarHBondContact O-N 2.91Å; E925-R932 PolarHBondContact O-NH1 3.25Å
926D94.8Very high95.8Very high122 Ų12261.4 Ų61.465%0.65233%0.328SS*.THydrogen-bonded Turntrans-75.6-15178.1-56.4-50.4000113.7S924 T929S924-D926 PolarHBondContact O-N 2.91Å; S924-D926 VanDerWaalsContact O-N 3.14Å; S924-D926 PolarHBondContact OG-OD2 3.34Å; D926-T929 WeakPolarHBondContact O-CG2 3.32Å
927C95.5Very high95.9Very high48 Ų4864.2 Ų64.232%0.32435%0.351SS..THydrogen-bonded Turntrans-80.7148.4-178.2-63.10000111.6V923 S924 E925 T929V923-C927 HydrophobicContact CB-CB 4.22Å; V923-C927 HydrophobicContact CG2-CB 3.66Å; S924-C927 WeakPolarHBondContact O-CB 3.35Å; S924-C927 PolarHBondContact O-N 3.41Å; S924-C927 VanDerWaalsContact O-N 3.12Å; E925-C927 VanDerWaalsContact C-N 3.29Å; E925-C927 PolarHBondContact O-N 2.91Å; C927-T929 PolarHBondContact O-N 2.81Å; C927-T929 VanDerWaalsContact O-N 3.17Å
928F97Very high96Very high38 Ų3862.2 Ų62.217%0.16734%0.342CS..THydrogen-bonded Turntrans55.131.7172.7-51.9-68.2000114.9F843 I845 T906 L907 E910 V923 A930 E931 R932F843-F928 HydrophobicContact CD1-CD2 4.4Å; F843-F928 HydrophobicContact CE1-CB 4.36Å; F843-F928 HydrophobicContact CE1-CD2 4.29Å; I845-F928 HydrophobicContact CD1-CE2 4.3Å; T906-F928 HydrophobicContact CG2-CD1 3.91Å; T906-F928 HydrophobicContact CG2-CE1 3.68Å; L907-F928 HydrophobicContact CD2-CB 3.91Å; L907-F928 HydrophobicContact CD2-CD1 4.12Å; L907-F928 HydrophobicContact CD2-CD2 3.98Å; L907-F928 HydrophobicContact CD2-CG 3.72Å; E910-F928 HydrophobicContact CB-CE2 4.32Å; E910-F928 HydrophobicContact CB-CZ 3.82Å; E910-F928 HydrophobicContact CG-CE2 3.75Å; E910-F928 HydrophobicContact CG-CZ 3.53Å; V923-F928 HydrophobicContact CG2-CD2 4.05Å; V923-F928 HydrophobicContact CG2-CE2 4.05Å; F928-A930 VanDerWaalsContact C-N 3.3Å; F928-A930 PolarHBondContact O-N 3.21Å; F928-E931 WeakPolarHBondContact CA-OE2 3.45Å; F928-E931 HydrophobicContact CB-CB 4.3Å; F928-E931 PolarHBondContact O-N 2.98Å; F928-R932 HydrophobicContact CB-CG 4.41Å; F928-R932 VanDerWaalsContact O-CB 3.3Å; F928-R932 WeakPolarHBondContact O-CB 3.41Å; F928-R932 WeakPolarHBondContact O-CD 3.16Å; F928-R932 WeakPolarHBondContact O-CG 3.44Å; F928-R932 PolarHBondContact O-N 2.92Å
929T96.9Very high96.1Very high79 Ų7958 Ų5849%0.48532%0.322SS..Hα-helixtrans-59.3-40.8-176.5480000112.5D926 C927 R932 E933D926-T929 WeakPolarHBondContact O-CG2 3.32Å; C927-T929 PolarHBondContact O-N 2.81Å; C927-T929 VanDerWaalsContact O-N 3.17Å; T929-R932 PolarHBondContact O-N 2.95Å; T929-E933 VanDerWaalsContact O-CB 3.3Å; T929-E933 WeakPolarHBondContact O-CB 3.5Å; T929-E933 PolarHBondContact O-N 3.35Å
930A97.1Very high96.2Very high62 Ų6257 Ų5751%0.51232%0.315SS..Hα-helixtrans-65.6-47.6177.700000112.1F928 E933 L934F928-A930 VanDerWaalsContact C-N 3.3Å; F928-A930 PolarHBondContact O-N 3.21Å; A930-E933 PolarHBondContact O-N 3.42Å; A930-L934 VanDerWaalsContact O-CB 3.28Å; A930-L934 WeakPolarHBondContact O-CB 3.27Å; A930-L934 PolarHBondContact O-N 3.39Å
931E97.8Very high96.5Very high42 Ų4257.7 Ų57.720%0.19631%0.311CS..Hα-helixtrans-61.1-45.6176.2-68.373.4-164.500110.9A903 T906 F928 L934 V935A903-E931 HydrophobicContact CB-CB 4Å; A903-E931 HydrophobicContact CB-CG 4.08Å; T906-E931 HydrophobicContact CG2-CG 4.46Å; F928-E931 WeakPolarHBondContact CA-OE2 3.45Å; F928-E931 HydrophobicContact CB-CB 4.3Å; F928-E931 PolarHBondContact O-N 2.98Å; E931-L934 WeakPolarHBondContact O-CB 3.29Å; E931-L934 PolarHBondContact O-N 2.79Å; E931-V935 VanDerWaalsContact O-CG2 3.28Å; E931-V935 WeakPolarHBondContact O-CG2 3.3Å; E931-V935 PolarHBondContact O-N 2.99Å
932R97.4Very high96.6Very high45 Ų4557.3 Ų57.317%0.1730%0.301CS..Hα-helixtrans-65-41.5179.9-70.8168.370.8-163.42.5112.5F843 E925 F928 T929 L934 R936F843-R932 HydrophobicContact CD1-CG 4.41Å; F843-R932 HydrophobicContact CD2-CG 4.42Å; F843-R932 VanDerWaalsContact CD2-NE 3.32Å; F843-R932 HydrophobicContact CE1-CG 3.83Å; F843-R932 HydrophobicContact CE2-CG 3.85Å; F843-R932 HydrophobicContact CZ-CG 3.52Å; E925-R932 PolarHBondContact O-NH1 3.25Å; F928-R932 HydrophobicContact CB-CG 4.41Å; F928-R932 VanDerWaalsContact O-CB 3.3Å; F928-R932 WeakPolarHBondContact O-CB 3.41Å; F928-R932 WeakPolarHBondContact O-CD 3.16Å; F928-R932 WeakPolarHBondContact O-CG 3.44Å; F928-R932 PolarHBondContact O-N 2.92Å; T929-R932 PolarHBondContact O-N 2.95Å; R932-L934 VanDerWaalsContact C-N 3.34Å; R932-R936 VanDerWaalsContact O-CB 3.29Å; R932-R936 WeakPolarHBondContact O-CB 3.47Å; R932-R936 WeakPolarHBondContact O-CG 3.21Å; R932-R936 PolarHBondContact O-N 2.79Å; R932-R936 PolarHBondContact O-NE 2.9Å; R932-R936 VanDerWaalsContact O-NE 3.11Å
933E97.5Very high96.7Very high130 Ų13054.9 Ų54.961%0.60729%0.289SS*.Hα-helixtrans-64.2-42.1176.1-174172.9-178.900111.2T929 A930 R936 A937T929-E933 VanDerWaalsContact O-CB 3.3Å; T929-E933 WeakPolarHBondContact O-CB 3.5Å; T929-E933 PolarHBondContact O-N 3.35Å; A930-E933 PolarHBondContact O-N 3.42Å; E933-R936 PolarHBondContact O-N 3.02Å; E933-A937 WeakPolarHBondContact O-CB 3.49Å; E933-A937 PolarHBondContact O-N 3.46Å
934L97.3Very high96.7Very high60 Ų6057.1 Ų57.131%0.31430%0.303SS..Hα-helixtrans-61.7-50.2177.4-168.4149.5000112A899 L900 A930 E931 R932 R936 A937 S938A899-L934 HydrophobicContact CB-CD1 3.5Å; A899-L934 HydrophobicContact CB-CD2 3.84Å; A899-L934 HydrophobicContact CB-CG 4.17Å; L900-L934 HydrophobicContact CD2-CD2 3.81Å; L900-L934 HydrophobicContact CG-CD2 4.14Å; A930-L934 VanDerWaalsContact O-CB 3.28Å; A930-L934 WeakPolarHBondContact O-CB 3.27Å; A930-L934 PolarHBondContact O-N 3.39Å; E931-L934 WeakPolarHBondContact O-CB 3.29Å; E931-L934 PolarHBondContact O-N 2.79Å; R932-L934 VanDerWaalsContact C-N 3.34Å; L934-R936 VanDerWaalsContact C-N 3.32Å; L934-R936 PolarHBondContact O-N 3.17Å; L934-A937 PolarHBondContact O-N 3.13Å; L934-S938 PolarHBondContact O-N 2.99Å
935V98Very high96.2Very high0 Ų060.2 Ų60.20%031%0.313CS..Hα-helixtrans-64.5-39178.71760000110.7D854 I855 L900 A903 E931 S938 W939D854-V935 HydrophobicContact CB-CG1 3.7Å; I855-V935 HydrophobicContact CD1-CG2 3.66Å; I855-V935 HydrophobicContact CG1-CB 4.39Å; I855-V935 HydrophobicContact CG1-CG1 3.71Å; I855-V935 HydrophobicContact CG1-CG2 3.68Å; L900-V935 HydrophobicContact CD2-CB 4.45Å; L900-V935 HydrophobicContact CD2-CG2 3.94Å; A903-V935 HydrophobicContact CB-CG2 3.88Å; E931-V935 VanDerWaalsContact O-CG2 3.28Å; E931-V935 WeakPolarHBondContact O-CG2 3.3Å; E931-V935 PolarHBondContact O-N 2.99Å; V935-S938 PolarHBondContact O-N 3.1Å; V935-W939 WeakPolarHBondContact O-CB 3.49Å; V935-W939 PolarHBondContact O-N 2.81Å
936R97.8Very high94.9Very high105 Ų10563.2 Ų63.240%0.39633%0.327SS..Hα-helixtrans-63.7-38.8174-77.8-179.1-65.3153.50.3112.5E849 R932 E933 L934 W939 Q940E849-R936 HydrophobicContact CB-CG 4.2Å; R932-R936 VanDerWaalsContact O-CB 3.29Å; R932-R936 WeakPolarHBondContact O-CB 3.47Å; R932-R936 WeakPolarHBondContact O-CG 3.21Å; R932-R936 PolarHBondContact O-N 2.79Å; R932-R936 PolarHBondContact O-NE 2.9Å; R932-R936 VanDerWaalsContact O-NE 3.11Å; E933-R936 PolarHBondContact O-N 3.02Å; L934-R936 VanDerWaalsContact C-N 3.32Å; L934-R936 PolarHBondContact O-N 3.17Å; R936-W939 WeakPolarHBondContact O-CB 3.47Å; R936-W939 PolarHBondContact O-N 3.31Å; R936-Q940 WeakPolarHBondContact O-CB 3.29Å; R936-Q940 PolarHBondContact O-N 3.47Å
937A97.5Very high94.9Very high60 Ų6060.3 Ų60.350%0.49631%0.31SS..Hα-helixtrans-65.1-43.9175.800000111.6E933 L934 Q940 K941E933-A937 WeakPolarHBondContact O-CB 3.49Å; E933-A937 PolarHBondContact O-N 3.46Å; L934-A937 PolarHBondContact O-N 3.13Å; A937-Q940 PolarHBondContact O-N 3.14Å; A937-K941 WeakPolarHBondContact O-CB 3.25Å; A937-K941 PolarHBondContact O-N 2.78Å
938S97.7Very high94.8Very high5 Ų560.9 Ų60.94%0.03531%0.309CS..Hα-helixtrans-65-39.8173-71.10000112.4E896 L934 V935 Q940 K941 W942E896-S938 WeakPolarHBondContact OE1-CB 3.41Å; E896-S938 PolarHBondContact OE1-OG 3.2Å; L934-S938 PolarHBondContact O-N 2.99Å; V935-S938 PolarHBondContact O-N 3.1Å; S938-Q940 VanDerWaalsContact C-N 3.35Å; S938-Q940 PolarHBondContact O-N 3.02Å; S938-K941 PolarHBondContact O-N 2.78Å; S938-W942 PolarHBondContact O-N 2.95Å
939W97.5Very high94.7Very high21 Ų2162.2 Ų62.28%0.0832%0.317CS..Hα-helixtrans-58.5-48.1173.7-179.1-90.9000111.1R825 R828 D854 F857 I858 V935 R936 K941 W942 L943R825-W939 HydrophobicContact CG-CZ2 4.35Å; R828-W939 HydrophobicContact CB-CH2 3.48Å; R828-W939 VanDerWaalsContact CB-CH2 3.48Å; R828-W939 HydrophobicContact CB-CZ2 3.92Å; R828-W939 HydrophobicContact CB-CZ3 4.46Å; R828-W939 HydrophobicContact CG-CH2 3.4Å; R828-W939 VanDerWaalsContact CG-CH2 3.4Å; R828-W939 HydrophobicContact CG-CZ2 3.83Å; R828-W939 HydrophobicContact CG-CZ3 4.06Å; D854-W939 HydrophobicContact CB-CE3 4.06Å; F857-W939 HydrophobicContact CB-CH2 4.22Å; F857-W939 HydrophobicContact CB-CZ3 3.7Å; I858-W939 HydrophobicContact CD1-CB 4.34Å; I858-W939 HydrophobicContact CD1-CE3 4.29Å; I858-W939 HydrophobicContact CG1-CE3 3.98Å; I858-W939 HydrophobicContact CG1-CZ3 4.48Å; V935-W939 WeakPolarHBondContact O-CB 3.49Å; V935-W939 PolarHBondContact O-N 2.81Å; R936-W939 WeakPolarHBondContact O-CB 3.47Å; R936-W939 PolarHBondContact O-N 3.31Å; W939-K941 PolarHBondContact O-N 3.17Å; W939-W942 PolarHBondContact O-N 3.47Å; W939-L943 HydrophobicContact CD2-CB 4.09Å; W939-L943 HydrophobicContact CD2-CG 4.37Å; W939-L943 HydrophobicContact CE3-CB 4.39Å; W939-L943 HydrophobicContact CE3-CD2 4.48Å; W939-L943 HydrophobicContact CE3-CG 4.16Å; W939-L943 HydrophobicContact CH2-CB 4.24Å; W939-L943 HydrophobicContact CH2-CG 3.9Å; W939-L943 HydrophobicContact CZ2-CB 4.01Å; W939-L943 HydrophobicContact CZ2-CG 4.19Å; W939-L943 HydrophobicContact CZ3-CB 4.46Å; W939-L943 HydrophobicContact CZ3-CD2 4.47Å; W939-L943 HydrophobicContact CZ3-CG 3.92Å; W939-L943 WeakPolarHBondContact O-CA 3.5Å; W939-L943 WeakPolarHBondContact O-CB 3.3Å; W939-L943 PolarHBondContact O-N 3.2Å
940Q97.2Very high94.6Very high80 Ų8061.2 Ų61.237%0.37431%0.308SS..Iπ-helixtrans-59.1-48.2176.7-176.56423.200110.9R936 A937 S938 W942 V944 E945R936-Q940 WeakPolarHBondContact O-CB 3.29Å; R936-Q940 PolarHBondContact O-N 3.47Å; A937-Q940 PolarHBondContact O-N 3.14Å; S938-Q940 VanDerWaalsContact C-N 3.35Å; S938-Q940 PolarHBondContact O-N 3.02Å; Q940-W942 PolarHBondContact O-N 3.15Å; Q940-V944 WeakPolarHBondContact O-CB 3.33Å; Q940-V944 PolarHBondContact O-N 3.27Å; Q940-E945 HydrophobicContact CG-CG 4.46Å; Q940-E945 WeakPolarHBondContact CG-OE1 3.48Å; Q940-E945 PolarHBondContact NE2-OE1 3.12Å; Q940-E945 WeakPolarHBondContact O-CB 3.27Å; Q940-E945 PolarHBondContact O-N 3.02Å
941K97.1Very high94.4Very high79 Ų7961.1 Ų61.134%0.34330%0.295SS..Iπ-helixtrans-59.2-45.4179.5179.1-179.3174.2-176.50113.2E896 A937 S938 W939 E945E896-K941 IonicContact OE2-NZ 3.39Å; E896-K941 PolarHBondContact OE2-NZ 2.76Å; A937-K941 WeakPolarHBondContact O-CB 3.25Å; A937-K941 PolarHBondContact O-N 2.78Å; S938-K941 PolarHBondContact O-N 2.78Å; W939-K941 PolarHBondContact O-N 3.17Å; K941-E945 CarbonylContact O-C 3.46Å
942W96.9Very high94.2Very high21 Ų2162.4 Ų62.48%0.0830%0.301CS..Iπ-helixtrans-98-31.6-169-66111.8000114.4Q821 Y861 L862 I891 M892 E896 S938 W939 Q940Q821-W942 PolarHBondContact NE2-O 2.7Å; Y861-W942 HydrophobicContact CD1-CB 4.42Å; Y861-W942 HydrophobicContact CE1-CB 4.32Å; Y861-W942 WeakPolarHBondContact CE1-O 3.33Å; L862-W942 HydrophobicContact CD1-CD2 4.34Å; L862-W942 HydrophobicContact CD1-CG 4.48Å; L862-W942 HydrophobicContact CD2-CD2 3.87Å; L862-W942 HydrophobicContact CD2-CE3 3.56Å; L862-W942 HydrophobicContact CD2-CG 4.34Å; L862-W942 HydrophobicContact CD2-CZ3 3.98Å; I891-W942 WeakPolarHBondContact O-CH2 3.36Å; M892-W942 HydrophobicContact CB-CZ2 4.46Å; M892-W942 HydrophobicContact CE-CZ2 4.38Å; M892-W942 HydrophobicContact CG-CZ2 4.48Å; E896-W942 PolarHBondContact OE1-NE1 2.66Å; E896-W942 PolarHBondContact OE2-NE1 3.4Å; S938-W942 PolarHBondContact O-N 2.95Å; W939-W942 PolarHBondContact O-N 3.47Å; Q940-W942 PolarHBondContact O-N 3.15Å
943L96.4Very high94Very high0 Ų063.6 Ų63.60%031%0.311CS..Iπ-helixtrans-111.7-10.4-172-80.2-62000113.2Q821 V824 R825 I858 Y861 W939Q821-L943 HydrophobicContact CG-CD1 4.17Å; V824-L943 HydrophobicContact CB-CD1 3.98Å; V824-L943 HydrophobicContact CG1-CD1 3.76Å; R825-L943 WeakPolarHBondContact CD-O 3.22Å; R825-L943 PolarHBondContact NH1-O 2.84Å; I858-L943 HydrophobicContact CG1-CD2 3.96Å; Y861-L943 HydrophobicContact CD1-CD1 4Å; Y861-L943 HydrophobicContact CD1-CD2 3.65Å; Y861-L943 HydrophobicContact CD2-CD1 4Å; Y861-L943 HydrophobicContact CE1-CD1 4.42Å; Y861-L943 HydrophobicContact CE1-CD2 4.25Å; Y861-L943 HydrophobicContact CE2-CD1 4.43Å; Y861-L943 HydrophobicContact CG-CD1 3.76Å; Y861-L943 HydrophobicContact CG-CD2 4.09Å; W939-L943 HydrophobicContact CD2-CB 4.09Å; W939-L943 HydrophobicContact CD2-CG 4.37Å; W939-L943 HydrophobicContact CE3-CB 4.39Å; W939-L943 HydrophobicContact CE3-CD2 4.48Å; W939-L943 HydrophobicContact CE3-CG 4.16Å; W939-L943 HydrophobicContact CH2-CB 4.24Å; W939-L943 HydrophobicContact CH2-CG 3.9Å; W939-L943 HydrophobicContact CZ2-CB 4.01Å; W939-L943 HydrophobicContact CZ2-CG 4.19Å; W939-L943 HydrophobicContact CZ3-CB 4.46Å; W939-L943 HydrophobicContact CZ3-CD2 4.47Å; W939-L943 HydrophobicContact CZ3-CG 3.92Å; W939-L943 WeakPolarHBondContact O-CA 3.5Å; W939-L943 WeakPolarHBondContact O-CB 3.3Å; W939-L943 PolarHBondContact O-N 3.2Å
944V93.7Very high93.7Very high60 Ų6058.5 Ų58.536%0.36429%0.288SS..Iπ-helixtrans-118.7-46.3178.9-173.20000111.6Q940Q940-V944 WeakPolarHBondContact O-CB 3.33Å; Q940-V944 PolarHBondContact O-N 3.27Å
945E85Confident93.4Very high108 Ų10858.4 Ų58.451%0.50529%0.286SS..  trans-92.9165.3175.6-67.5171-160.600110.9Q821 Q940 K941Q821-E945 PolarHBondContact NE2-O 3.06Å; Q940-E945 HydrophobicContact CG-CG 4.46Å; Q940-E945 WeakPolarHBondContact CG-OE1 3.48Å; Q940-E945 PolarHBondContact NE2-OE1 3.12Å; Q940-E945 WeakPolarHBondContact O-CB 3.27Å; Q940-E945 PolarHBondContact O-N 3.02Å; K941-E945 CarbonylContact O-C 3.46Å
946E66.4Low93Very high162 Ų16263.7 Ų63.776%0.75731%0.312SS*.  trans-111.40178.8-81.6176.4-165.600111.8K818K818-E946 VanDerWaalsContact CD-OE1 3.31Å; K818-E946 WeakPolarHBondContact CD-OE1 3.23Å; K818-E946 VanDerWaalsContact CE-OE1 3.31Å; K818-E946 WeakPolarHBondContact CE-OE1 3.17Å; K818-E946 WeakPolarHBondContact CG-OE1 3.15Å; K818-E946 IonicContact NZ-OE1 2.78Å; K818-E946 PolarHBondContact NZ-OE1 3.06Å

Retrieved 946 of 946 residues in 7007.5 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).