G4LX41_SCHMA Loading...

COP9 signalosome complex subunit 4

AlphaFold DB , UniProt , Accession G4LX41, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 437 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.8Low79.8Confident183 Ų18380.4 Ų80.490%0.90144%0.441SS*.  0-51.40-84.1-174.9-86.800111.9E3 N4 L5M1-E3 PolarHBondContact O-N 2.73Å; M1-N4 WeakPolarHBondContact O-CA 3.2Å; M1-N4 WeakPolarHBondContact O-CB 3.48Å; M1-N4 PolarHBondContact O-N 2.96Å; M1-L5 PolarHBondContact O-N 2.81Å
2A56.3Low80.8Confident59 Ų5973.9 Ų73.949%0.48841%0.406SS..Hα-helixtrans-51.6-45.5-179.100000115.4N4 L5 S6A2-N4 VanDerWaalsContact C-N 3.28Å; A2-N4 PolarHBondContact O-N 3.49Å; A2-L5 PolarHBondContact O-N 3.42Å; A2-S6 PolarHBondContact O-N 2.76Å; A2-S6 PolarHBondContact O-OG 2.85Å
3E59.4Low81.5Confident169 Ų16971.1 Ų71.179%0.7939%0.392SS*.Hα-helixtrans-64.9-30176-72.6-176.1162.800113.4M1 S6 T7M1-E3 PolarHBondContact O-N 2.73Å; E3-S6 PolarHBondContact O-OG 3.2Å; E3-S6 VanDerWaalsContact O-OG 3.06Å; E3-T7 PolarHBondContact O-N 3.32Å; E3-T7 PolarHBondContact O-OG1 2.8Å
4N82.8Confident82Confident104 Ų10473.7 Ų73.756%0.55641%0.411SS*.Hα-helixtrans-75-39.9175.4-161.26.7000110.3M1 A2 T7 I8M1-N4 WeakPolarHBondContact O-CA 3.2Å; M1-N4 WeakPolarHBondContact O-CB 3.48Å; M1-N4 PolarHBondContact O-N 2.96Å; A2-N4 VanDerWaalsContact C-N 3.28Å; A2-N4 PolarHBondContact O-N 3.49Å; N4-T7 PolarHBondContact O-N 3.49Å; N4-I8 WeakPolarHBondContact O-CD1 3.2Å; N4-I8 VanDerWaalsContact O-CG1 3.23Å; N4-I8 WeakPolarHBondContact O-CG1 3.43Å; N4-I8 PolarHBondContact O-N 3.03Å
5L87.5Confident82.4Confident11 Ų1170.7 Ų70.76%0.05840%0.396CS..Hα-helixtrans-63.5-45.1178.3-176.8127000112.1M1 A2 T7 I8 L9 L32 D42 T45 I46M1-L5 PolarHBondContact O-N 2.81Å; A2-L5 PolarHBondContact O-N 3.42Å; L5-T7 VanDerWaalsContact C-N 3.31Å; L5-T7 PolarHBondContact O-N 2.86Å; L5-I8 PolarHBondContact O-N 2.84Å; L5-L9 HydrophobicContact CD2-CD1 3.57Å; L5-L9 HydrophobicContact CG-CD1 4.02Å; L5-L9 HydrophobicContact CG-CG 4.49Å; L5-L9 WeakPolarHBondContact O-CB 3.43Å; L5-L9 VanDerWaalsContact O-CG 3.23Å; L5-L9 WeakPolarHBondContact O-CG 3.15Å; L5-L9 PolarHBondContact O-N 3.42Å; L5-L32 HydrophobicContact CD1-CD2 3.89Å; L5-D42 HydrophobicContact CD1-CB 4.27Å; L5-T45 HydrophobicContact CD2-CG2 3.46Å; L5-T45 VanDerWaalsContact CD2-CG2 3.46Å; L5-I46 HydrophobicContact CD1-CD1 4.42Å; L5-I46 HydrophobicContact CD1-CG1 4.45Å; L5-I46 HydrophobicContact CD2-CG1 4.23Å
6S86.5Confident82.5Confident54 Ų5479.3 Ų79.338%0.37843%0.428SS..Hα-helixtrans-61.7-39.7176.660.30000112.2A2 E3 L9 S10A2-S6 PolarHBondContact O-N 2.76Å; A2-S6 PolarHBondContact O-OG 2.85Å; E3-S6 PolarHBondContact O-OG 3.2Å; E3-S6 VanDerWaalsContact O-OG 3.06Å; S6-L9 PolarHBondContact O-N 3.12Å; S6-S10 PolarHBondContact O-N 3.33Å
7T87.7Confident82.9Confident70 Ų7077.4 Ų77.443%0.42942%0.423SS..Hα-helixtrans-63.7-50.5177-53.60000110.9E3 N4 L5 L9 S10 E11E3-T7 PolarHBondContact O-N 3.32Å; E3-T7 PolarHBondContact O-OG1 2.8Å; N4-T7 PolarHBondContact O-N 3.49Å; L5-T7 VanDerWaalsContact C-N 3.31Å; L5-T7 PolarHBondContact O-N 2.86Å; T7-L9 VanDerWaalsContact C-N 3.33Å; T7-L9 PolarHBondContact O-N 3.19Å; T7-S10 WeakPolarHBondContact O-CB 3.12Å; T7-S10 PolarHBondContact O-N 2.84Å; T7-S10 VanDerWaalsContact O-N 3.1Å; T7-S10 PolarHBondContact O-OG 2.69Å; T7-E11 PolarHBondContact O-N 2.8Å; T7-E11 VanDerWaalsContact O-N 3.17Å
8I91.5Very high83Confident60 Ų6077.8 Ų77.831%0.30843%0.43SS..Hα-helixtrans-62-40.7179-61160.7000111.2N4 L5 S10 E11 I12 L28N4-I8 WeakPolarHBondContact O-CD1 3.2Å; N4-I8 VanDerWaalsContact O-CG1 3.23Å; N4-I8 WeakPolarHBondContact O-CG1 3.43Å; N4-I8 PolarHBondContact O-N 3.03Å; L5-I8 PolarHBondContact O-N 2.84Å; I8-S10 VanDerWaalsContact C-N 3.3Å; I8-S10 PolarHBondContact O-N 3.06Å; I8-E11 PolarHBondContact O-N 2.84Å; I8-I12 HydrophobicContact CG2-CD1 3.84Å; I8-I12 HydrophobicContact CG2-CG1 4.41Å; I8-I12 VanDerWaalsContact O-CG1 3.3Å; I8-I12 WeakPolarHBondContact O-CG1 3.4Å; I8-I12 PolarHBondContact O-N 3.25Å; I8-L28 HydrophobicContact CB-CD1 3.9Å; I8-L28 HydrophobicContact CG2-CD1 3.44Å; I8-L28 VanDerWaalsContact CG2-CD1 3.44Å
9L92.9Very high83.3Confident1 Ų182.7 Ų82.71%0.00545%0.446CS..Hα-helixtrans-63.8-35.3176.1-71.8169.7000112.4L5 S6 T7 E11 I12 T13 F25 L28 T45 I46 T49L5-L9 HydrophobicContact CD2-CD1 3.57Å; L5-L9 HydrophobicContact CG-CD1 4.02Å; L5-L9 HydrophobicContact CG-CG 4.49Å; L5-L9 WeakPolarHBondContact O-CB 3.43Å; L5-L9 VanDerWaalsContact O-CG 3.23Å; L5-L9 WeakPolarHBondContact O-CG 3.15Å; L5-L9 PolarHBondContact O-N 3.42Å; S6-L9 PolarHBondContact O-N 3.12Å; T7-L9 VanDerWaalsContact C-N 3.33Å; T7-L9 PolarHBondContact O-N 3.19Å; L9-E11 VanDerWaalsContact C-N 3.34Å; L9-I12 PolarHBondContact O-N 2.86Å; L9-T13 WeakPolarHBondContact O-CB 3.36Å; L9-T13 WeakPolarHBondContact O-CG2 3.44Å; L9-T13 PolarHBondContact O-N 3.25Å; L9-T13 PolarHBondContact O-OG1 3.46Å; L9-F25 HydrophobicContact CD2-CD2 4.24Å; L9-F25 HydrophobicContact CD2-CE2 3.95Å; L9-L28 HydrophobicContact CD2-CD1 4.44Å; L9-L28 HydrophobicContact CD2-CD2 4.27Å; L9-T45 HydrophobicContact CD1-CG2 4.47Å; L9-I46 HydrophobicContact CD1-CB 4.44Å; L9-I46 HydrophobicContact CD1-CG1 3.91Å; L9-I46 HydrophobicContact CD2-CG1 4.28Å; L9-T49 HydrophobicContact CB-CG2 3.84Å; L9-T49 HydrophobicContact CD1-CG2 4.44Å
10S88.9Confident83.7Confident57 Ų5782.8 Ų82.840%0.39944%0.443SS..Hα-helixtrans-64.6-38.4175.280.20000112S6 T7 I8 T13 T14S6-S10 PolarHBondContact O-N 3.33Å; T7-S10 WeakPolarHBondContact O-CB 3.12Å; T7-S10 PolarHBondContact O-N 2.84Å; T7-S10 VanDerWaalsContact O-N 3.1Å; T7-S10 PolarHBondContact O-OG 2.69Å; I8-S10 VanDerWaalsContact C-N 3.3Å; I8-S10 PolarHBondContact O-N 3.06Å; S10-T13 WeakPolarHBondContact CA-OG1 3.35Å; S10-T13 PolarHBondContact O-OG1 3.25Å; S10-T14 WeakPolarHBondContact O-CB 3.49Å; S10-T14 WeakPolarHBondContact O-CG2 3.41Å; S10-T14 PolarHBondContact O-N 2.8Å; S10-T14 VanDerWaalsContact O-N 3.15Å; S10-T14 PolarHBondContact O-OG1 3.42Å
11E90.3Very high84.1Confident116 Ų11679 Ų7954%0.54242%0.424SS..Hα-helixtrans-67.9-39.3175-65.7-179.6178.200111.9T7 I8 L9 T14 C15T7-E11 PolarHBondContact O-N 2.8Å; T7-E11 VanDerWaalsContact O-N 3.17Å; I8-E11 PolarHBondContact O-N 2.84Å; L9-E11 VanDerWaalsContact C-N 3.34Å; E11-T14 PolarHBondContact O-OG1 2.83Å; E11-C15 PolarHBondContact O-N 3.46Å; E11-C15 VanDerWaalsContact O-N 3.17Å
12I92.5Very high86Confident3 Ų371.3 Ų71.32%0.01539%0.387CS..Hα-helixtrans-66-47.5178.1-68.8166.3000110.8I8 L9 T14 C15 A21 K24 F25 L28 F63I8-I12 HydrophobicContact CG2-CD1 3.84Å; I8-I12 HydrophobicContact CG2-CG1 4.41Å; I8-I12 VanDerWaalsContact O-CG1 3.3Å; I8-I12 WeakPolarHBondContact O-CG1 3.4Å; I8-I12 PolarHBondContact O-N 3.25Å; L9-I12 PolarHBondContact O-N 2.86Å; I12-T14 VanDerWaalsContact C-N 3.3Å; I12-T14 PolarHBondContact O-N 3.41Å; I12-C15 VanDerWaalsContact O-CB 3.24Å; I12-C15 WeakPolarHBondContact O-CB 3.49Å; I12-C15 PolarHBondContact O-N 2.92Å; I12-A21 WeakPolarHBondContact CG2-O 3.42Å; I12-K24 HydrophobicContact CD1-CB 4.29Å; I12-K24 HydrophobicContact CG1-CB 3.85Å; I12-F25 HydrophobicContact CD1-CD2 4.48Å; I12-F25 HydrophobicContact CG2-CB 4.03Å; I12-F25 HydrophobicContact CG2-CD2 4.27Å; I12-L28 HydrophobicContact CD1-CB 4.22Å; I12-L28 HydrophobicContact CD1-CD1 4.16Å; I12-F63 HydrophobicContact CG2-CE1 4.02Å; I12-F63 HydrophobicContact CG2-CZ 3.85Å
13T89.8Confident87.7Confident37 Ų3774.6 Ų74.623%0.22739%0.393CS..Hα-helixtrans-70.6-24.7-176.649.90000113.4L9 S10 T49 V55L9-T13 WeakPolarHBondContact O-CB 3.36Å; L9-T13 WeakPolarHBondContact O-CG2 3.44Å; L9-T13 PolarHBondContact O-N 3.25Å; L9-T13 PolarHBondContact O-OG1 3.46Å; S10-T13 WeakPolarHBondContact CA-OG1 3.35Å; S10-T13 PolarHBondContact O-OG1 3.25Å; T13-T49 HydrophobicContact CG2-CG2 4.13Å; T13-V55 HydrophobicContact CG2-CG2 3.65Å
14T88.3Confident89.4Confident108 Ų10870.6 Ų70.666%0.66337%0.373SS*.THydrogen-bonded Turntrans-93.5-1.8175.457.80000113.7S10 E11 I12 K16S10-T14 WeakPolarHBondContact O-CB 3.49Å; S10-T14 WeakPolarHBondContact O-CG2 3.41Å; S10-T14 PolarHBondContact O-N 2.8Å; S10-T14 VanDerWaalsContact O-N 3.15Å; S10-T14 PolarHBondContact O-OG1 3.42Å; E11-T14 PolarHBondContact O-OG1 2.83Å; I12-T14 VanDerWaalsContact C-N 3.3Å; I12-T14 PolarHBondContact O-N 3.41Å; T14-K16 PolarHBondContact O-N 3.36Å
15C87.7Confident90Very high28 Ų2865.6 Ų65.619%0.18935%0.346CS..  trans-63.4125.1179.6-1760000111.2E11 I12 S17 A21E11-C15 PolarHBondContact O-N 3.46Å; E11-C15 VanDerWaalsContact O-N 3.17Å; I12-C15 VanDerWaalsContact O-CB 3.24Å; I12-C15 WeakPolarHBondContact O-CB 3.49Å; I12-C15 PolarHBondContact O-N 2.92Å; C15-S17 VanDerWaalsContact C-N 3.31Å; C15-S17 PolarHBondContact O-N 2.83Å; C15-A21 HydrophobicContact CB-CB 3.87Å
16K84.4Confident90.3Very high208 Ų20866 Ų6690%0.90435%0.349SS*.SBendtrans-68.2-27.7-175.8-66.4-176.9179.7178.70113.7T14 P18T14-K16 PolarHBondContact O-N 3.36Å; K16-P18 WeakPolarHBondContact O-CD 3.48Å
17S88.5Confident90.7Very high48 Ų4867.3 Ų67.334%0.33635%0.352SS..  trans-94.6112.4-179.4171.20000109.4C15 K19 E20 A21C15-S17 VanDerWaalsContact C-N 3.31Å; C15-S17 PolarHBondContact O-N 2.83Å; S17-K19 PolarHBondContact O-N 3.46Å; S17-E20 PolarHBondContact O-N 3.1Å; S17-E20 WeakPolarHBondContact OG-CB 3.18Å; S17-E20 PolarHBondContact OG-N 3.48Å; S17-A21 WeakPolarHBondContact O-CB 3.37Å; S17-A21 PolarHBondContact O-N 3.1Å
18P85.8Confident90.9Very high84 Ų8464.6 Ų64.655%0.54534%0.335SS..Hα-helixtrans-61.5-32.7-178.5-2534.8000113.4K16 T22K16-P18 WeakPolarHBondContact O-CD 3.48Å; P18-T22 PolarHBondContact O-N 3.49Å; P18-T22 VanDerWaalsContact O-N 3.13Å; P18-T22 PolarHBondContact O-OG1 2.83Å
19K88.5Confident91.1Very high171 Ų17161.9 Ų61.974%0.74332%0.321SS*.Hα-helixtrans-68-46.6177.4-71.3-173177.4-176.70111.3S17 A21 T22 E23S17-K19 PolarHBondContact O-N 3.46Å; K19-A21 VanDerWaalsContact C-N 3.31Å; K19-A21 PolarHBondContact O-N 2.83Å; K19-T22 PolarHBondContact O-N 3.11Å; K19-E23 PolarHBondContact O-N 3.09Å
20E91.7Very high91Very high84 Ų8469.5 Ų69.539%0.39335%0.354SS..Hα-helixtrans-64.5-38.8178.3-170.6-171.5159.900111S17 E23 K24S17-E20 PolarHBondContact O-N 3.1Å; S17-E20 WeakPolarHBondContact OG-CB 3.18Å; S17-E20 PolarHBondContact OG-N 3.48Å; E20-E23 PolarHBondContact O-N 3.12Å; E20-K24 HydrophobicContact CG-CD 4.39Å; E20-K24 WeakPolarHBondContact O-CB 3.48Å; E20-K24 WeakPolarHBondContact O-CG 2.96Å; E20-K24 PolarHBondContact O-N 2.86Å; E20-K24 WeakPolarHBondContact OE1-CE 3.29Å; E20-K24 IonicContact OE1-NZ 2.7Å; E20-K24 PolarHBondContact OE1-NZ 3.26Å
21A92.4Very high91Very high5 Ų571.1 Ų71.14%0.04137%0.366CS..Hα-helixtrans-59.7-48.5175.200000111.6I12 C15 S17 K19 K24 F25 F63I12-A21 WeakPolarHBondContact CG2-O 3.42Å; C15-A21 HydrophobicContact CB-CB 3.87Å; S17-A21 WeakPolarHBondContact O-CB 3.37Å; S17-A21 PolarHBondContact O-N 3.1Å; K19-A21 VanDerWaalsContact C-N 3.31Å; K19-A21 PolarHBondContact O-N 2.83Å; A21-K24 PolarHBondContact O-N 3.32Å; A21-F25 WeakPolarHBondContact O-CB 3.31Å; A21-F25 PolarHBondContact O-N 3.37Å; A21-F63 HydrophobicContact CB-CE1 4.32Å; A21-F63 HydrophobicContact CB-CZ 4.04Å
22T92.2Very high90.9Very high21 Ų2166.6 Ų66.613%0.12935%0.345CS..Hα-helixtrans-62.5-42.8177.1-52.10000111.7P18 K19 F25 S26 K62 E66P18-T22 PolarHBondContact O-N 3.49Å; P18-T22 VanDerWaalsContact O-N 3.13Å; P18-T22 PolarHBondContact O-OG1 2.83Å; K19-T22 PolarHBondContact O-N 3.11Å; T22-F25 WeakPolarHBondContact O-CB 3.42Å; T22-F25 PolarHBondContact O-N 3.3Å; T22-S26 PolarHBondContact O-N 2.73Å; T22-S26 PolarHBondContact O-OG 3.42Å; T22-S26 VanDerWaalsContact O-OG 3.09Å; T22-K62 HydrophobicContact CG2-CB 4.44Å; T22-E66 HydrophobicContact CG2-CG 3.99Å
23E93.2Very high90.6Very high127 Ų12769.2 Ų69.259%0.59336%0.363SS*.Hα-helixtrans-63.5-44.7178.5-173.1178.418000112.5K19 E20 F25 S26 N27K19-E23 PolarHBondContact O-N 3.09Å; E20-E23 PolarHBondContact O-N 3.12Å; E23-F25 VanDerWaalsContact C-N 3.28Å; E23-F25 PolarHBondContact O-N 3.25Å; E23-S26 PolarHBondContact O-N 2.71Å; E23-N27 WeakPolarHBondContact O-CB 3.46Å; E23-N27 VanDerWaalsContact O-CG 3.26Å; E23-N27 PolarHBondContact O-N 3.24Å; E23-N27 PolarHBondContact O-ND2 3.43Å
24K93.7Very high90.2Very high85 Ų8570.6 Ų70.637%0.3737%0.366SS..Hα-helixtrans-61.2-39174.1-73.3179.8-178.5172.10111.7I12 E20 A21 N27 L28I12-K24 HydrophobicContact CD1-CB 4.29Å; I12-K24 HydrophobicContact CG1-CB 3.85Å; E20-K24 HydrophobicContact CG-CD 4.39Å; E20-K24 WeakPolarHBondContact O-CB 3.48Å; E20-K24 WeakPolarHBondContact O-CG 2.96Å; E20-K24 PolarHBondContact O-N 2.86Å; E20-K24 WeakPolarHBondContact OE1-CE 3.29Å; E20-K24 IonicContact OE1-NZ 2.7Å; E20-K24 PolarHBondContact OE1-NZ 3.26Å; A21-K24 PolarHBondContact O-N 3.32Å; K24-N27 PolarHBondContact O-N 2.93Å; K24-L28 PolarHBondContact O-N 3.13Å
25F95.8Very high89.7Confident0 Ų070 Ų700%037%0.366CS..Hα-helixtrans-63.7-49.1176.1-170.2-102.9000112.1L9 I12 A21 T22 E23 N27 L28 L29 I46 I50 F63 E66 L67L9-F25 HydrophobicContact CD2-CD2 4.24Å; L9-F25 HydrophobicContact CD2-CE2 3.95Å; I12-F25 HydrophobicContact CD1-CD2 4.48Å; I12-F25 HydrophobicContact CG2-CB 4.03Å; I12-F25 HydrophobicContact CG2-CD2 4.27Å; A21-F25 WeakPolarHBondContact O-CB 3.31Å; A21-F25 PolarHBondContact O-N 3.37Å; T22-F25 WeakPolarHBondContact O-CB 3.42Å; T22-F25 PolarHBondContact O-N 3.3Å; E23-F25 VanDerWaalsContact C-N 3.28Å; E23-F25 PolarHBondContact O-N 3.25Å; F25-N27 VanDerWaalsContact C-N 3.26Å; F25-N27 PolarHBondContact O-N 2.87Å; F25-L28 WeakPolarHBondContact O-CB 3.48Å; F25-L28 PolarHBondContact O-N 2.98Å; F25-L28 VanDerWaalsContact O-N 3.13Å; F25-L29 HydrophobicContact CD1-CD1 3.9Å; F25-L29 HydrophobicContact CD1-CG 4.29Å; F25-L29 HydrophobicContact CE1-CD1 3.52Å; F25-L29 HydrophobicContact CE1-CD2 4.35Å; F25-L29 HydrophobicContact CE1-CG 4.03Å; F25-L29 HydrophobicContact CZ-CD1 4.23Å; F25-L29 HydrophobicContact CZ-CD2 4.25Å; F25-L29 HydrophobicContact CZ-CG 4.38Å; F25-L29 WeakPolarHBondContact O-CG 3.48Å; F25-L29 PolarHBondContact O-N 3.29Å; F25-I46 HydrophobicContact CE2-CG2 3.74Å; F25-I46 HydrophobicContact CZ-CG2 3.61Å; F25-I50 HydrophobicContact CE2-CG2 3.93Å; F25-I50 HydrophobicContact CZ-CG2 4.23Å; F25-F63 HydrophobicContact CB-CD1 3.74Å; F25-F63 HydrophobicContact CB-CE1 3.8Å; F25-F63 HydrophobicContact CD1-CB 4.09Å; F25-F63 AromaticContact CD1-CD1 3.74Å; F25-F63 HydrophobicContact CD1-CD1 3.74Å; F25-F63 HydrophobicContact CD1-CG 4.27Å; F25-F63 HydrophobicContact CD2-CD1 4.05Å; F25-F63 HydrophobicContact CD2-CE1 4.5Å; F25-F63 HydrophobicContact CD2-CG 4.36Å; F25-F63 HydrophobicContact CE1-CB 3.82Å; F25-F63 HydrophobicContact CE1-CD1 4.34Å; F25-F63 HydrophobicContact CE1-CG 4.43Å; F25-F63 WeakPolarHBondContact CE1-O 3.37Å; F25-F63 HydrophobicContact CE2-CB 4.37Å; F25-F63 HydrophobicContact CG-CB 4.47Å; F25-F63 AromaticContact CG-CD1 3.56Å; F25-F63 HydrophobicContact CG-CD1 3.56Å; F25-F63 HydrophobicContact CG-CE1 4.08Å; F25-F63 HydrophobicContact CG-CG 4.22Å; F25-F63 HydrophobicContact CZ-CB 3.97Å; F25-E66 HydrophobicContact CD1-CB 3.86Å; F25-E66 HydrophobicContact CD1-CG 4.48Å; F25-E66 HydrophobicContact CE1-CB 3.99Å; F25-L67 HydrophobicContact CE1-CB 4.36Å; F25-L67 HydrophobicContact CZ-CB 4.5Å
26S94.6Very high89.2Confident18 Ų1869.8 Ų69.813%0.12637%0.366CS..Hα-helixtrans-59.6-37.8175.9-53.70000112T22 E23 L29 K30 E66T22-S26 PolarHBondContact O-N 2.73Å; T22-S26 PolarHBondContact O-OG 3.42Å; T22-S26 VanDerWaalsContact O-OG 3.09Å; E23-S26 PolarHBondContact O-N 2.71Å; S26-L29 PolarHBondContact O-N 3.19Å; S26-K30 WeakPolarHBondContact O-CG 3.48Å; S26-K30 PolarHBondContact O-N 3.21Å; S26-E66 WeakPolarHBondContact CB-OE2 3.19Å; S26-E66 PolarHBondContact OG-OE2 3.06Å
27N93.6Very high88.7Confident83 Ų8367.9 Ų67.944%0.44437%0.365SS..Hα-helixtrans-67.9-38.5175.8-70.5-22.7000112.5E23 K24 F25 K30 S31E23-N27 WeakPolarHBondContact O-CB 3.46Å; E23-N27 VanDerWaalsContact O-CG 3.26Å; E23-N27 PolarHBondContact O-N 3.24Å; E23-N27 PolarHBondContact O-ND2 3.43Å; K24-N27 PolarHBondContact O-N 2.93Å; F25-N27 VanDerWaalsContact C-N 3.26Å; F25-N27 PolarHBondContact O-N 2.87Å; N27-K30 PolarHBondContact O-N 2.91Å; N27-S31 PolarHBondContact O-N 3.47Å
28L93.7Very high88.7Confident12 Ų1267.6 Ų67.66%0.06336%0.363CS..Hα-helixtrans-60.3-47.2171.6173.5136.5000110.7I8 L9 I12 K24 F25 K30 S31 L32 I46I8-L28 HydrophobicContact CB-CD1 3.9Å; I8-L28 HydrophobicContact CG2-CD1 3.44Å; I8-L28 VanDerWaalsContact CG2-CD1 3.44Å; L9-L28 HydrophobicContact CD2-CD1 4.44Å; L9-L28 HydrophobicContact CD2-CD2 4.27Å; I12-L28 HydrophobicContact CD1-CB 4.22Å; I12-L28 HydrophobicContact CD1-CD1 4.16Å; K24-L28 PolarHBondContact O-N 3.13Å; F25-L28 WeakPolarHBondContact O-CB 3.48Å; F25-L28 PolarHBondContact O-N 2.98Å; F25-L28 VanDerWaalsContact O-N 3.13Å; L28-K30 VanDerWaalsContact C-N 3.35Å; L28-K30 PolarHBondContact O-N 3.44Å; L28-S31 WeakPolarHBondContact O-CB 3.32Å; L28-S31 PolarHBondContact O-N 3.17Å; L28-S31 PolarHBondContact O-OG 2.83Å; L28-L32 HydrophobicContact CD2-CD1 4.39Å; L28-L32 PolarHBondContact O-N 3.39Å; L28-I46 HydrophobicContact CD2-CD1 4.17Å
29L94.3Very high88.9Confident4 Ų463.6 Ų63.62%0.02134%0.337CS..Hα-helixtrans-60.3-42.8178.3-65.3-179000112.2F25 S26 S31 L32 I46 E66 L67 F70F25-L29 HydrophobicContact CD1-CD1 3.9Å; F25-L29 HydrophobicContact CD1-CG 4.29Å; F25-L29 HydrophobicContact CE1-CD1 3.52Å; F25-L29 HydrophobicContact CE1-CD2 4.35Å; F25-L29 HydrophobicContact CE1-CG 4.03Å; F25-L29 HydrophobicContact CZ-CD1 4.23Å; F25-L29 HydrophobicContact CZ-CD2 4.25Å; F25-L29 HydrophobicContact CZ-CG 4.38Å; F25-L29 WeakPolarHBondContact O-CG 3.48Å; F25-L29 PolarHBondContact O-N 3.29Å; S26-L29 PolarHBondContact O-N 3.19Å; L29-S31 PolarHBondContact O-N 3Å; L29-L32 HydrophobicContact CD2-CD1 4.11Å; L29-L32 WeakPolarHBondContact O-CB 3.47Å; L29-L32 PolarHBondContact O-N 3.27Å; L29-L32 VanDerWaalsContact O-N 3.07Å; L29-I46 HydrophobicContact CD2-CD1 3.98Å; L29-E66 HydrophobicContact CD1-CB 4.07Å; L29-E66 WeakPolarHBondContact CD1-O 3.33Å; L29-L67 HydrophobicContact CD1-CB 4.48Å; L29-L67 HydrophobicContact CD1-CD1 4.29Å; L29-L67 HydrophobicContact CD2-CD1 3.58Å; L29-F70 HydrophobicContact CB-CB 4.2Å; L29-F70 HydrophobicContact CB-CD2 3.96Å; L29-F70 HydrophobicContact CB-CG 4.02Å; L29-F70 HydrophobicContact CD1-CB 3.87Å; L29-F70 HydrophobicContact CD1-CG 4.39Å; L29-F70 HydrophobicContact CD2-CD1 4.27Å; L29-F70 HydrophobicContact CD2-CG 4.4Å; L29-F70 HydrophobicContact CG-CB 4.48Å; L29-F70 WeakPolarHBondContact O-CE2 3.42Å
30K90.2Very high89.2Confident160 Ų16057.8 Ų57.870%0.69631%0.314SS*.Hα-helixtrans-61.4-25.2175.8-72.6171.3-174.3172.60113.7S26 N27 L28S26-K30 WeakPolarHBondContact O-CG 3.48Å; S26-K30 PolarHBondContact O-N 3.21Å; N27-K30 PolarHBondContact O-N 2.91Å; L28-K30 VanDerWaalsContact C-N 3.35Å; L28-K30 PolarHBondContact O-N 3.44Å
31S89.9Confident89.2Confident92 Ų9256.6 Ų56.664%0.64332%0.319SS*.Hα-helixtrans-81.7-14.5177.775.50000113.5N27 L28 L29N27-S31 PolarHBondContact O-N 3.47Å; L28-S31 WeakPolarHBondContact O-CB 3.32Å; L28-S31 PolarHBondContact O-N 3.17Å; L28-S31 PolarHBondContact O-OG 2.83Å; L29-S31 PolarHBondContact O-N 3Å
32L88.7Confident89.2Confident20 Ų2056.9 Ų56.911%0.10532%0.319CS..SBendtrans-78.7134.7-179.8-67.6171.2000111.1L5 L28 L29 Q34 D42 I46 F70L5-L32 HydrophobicContact CD1-CD2 3.89Å; L28-L32 HydrophobicContact CD2-CD1 4.39Å; L28-L32 PolarHBondContact O-N 3.39Å; L29-L32 HydrophobicContact CD2-CD1 4.11Å; L29-L32 WeakPolarHBondContact O-CB 3.47Å; L29-L32 PolarHBondContact O-N 3.27Å; L29-L32 VanDerWaalsContact O-N 3.07Å; L32-Q34 PolarHBondContact O-N 2.85Å; L32-D42 HydrophobicContact CD2-CB 4.33Å; L32-I46 HydrophobicContact CD1-CD1 3.62Å; L32-F70 HydrophobicContact CB-CE2 4.38Å; L32-F70 HydrophobicContact CB-CZ 3.86Å; L32-F70 HydrophobicContact CD1-CZ 4.49Å
33P85.6Confident89.3Confident59 Ų5955.9 Ų55.938%0.38331%0.313SS..  trans-66.8127.1175.926.6-33.2000111.2S35 S36P33-S35 PolarHBondContact O-N 3.4Å; P33-S36 WeakPolarHBondContact CG-OG 3.42Å
34Q81.3Confident89.4Confident66 Ų6652.2 Ų52.231%0.30830%0.3SS..THydrogen-bonded Turntrans-78.80.5-178.8-67.3179.3-17.600114.2L32 F70L32-Q34 PolarHBondContact O-N 2.85Å; Q34-F70 HydrophobicContact CG-CE2 4.01Å; Q34-F70 HydrophobicContact CG-CZ 4.33Å
35S77.1Confident89.4Confident94 Ų9450.3 Ų50.366%0.65730%0.295SS*.THydrogen-bonded Turntrans-142.531.6-174.8-50.20000112.6P33P33-S35 PolarHBondContact O-N 3.4Å
36S77.1Confident89.4Confident25 Ų2550.3 Ų50.318%0.17530%0.295CS..  trans-101.1149.5176.5700000112.1P33 S38 L39P33-S36 WeakPolarHBondContact CG-OG 3.42Å; S36-S38 PolarHBondContact O-N 3.36Å; S36-S38 VanDerWaalsContact O-N 3.15Å; S36-S38 PolarHBondContact OG-N 3.45Å; S36-S38 PolarHBondContact OG-OG 2.88Å; S36-L39 VanDerWaalsContact O-CB 3.29Å; S36-L39 WeakPolarHBondContact O-CB 3.36Å; S36-L39 PolarHBondContact O-N 3.03Å; S36-L39 VanDerWaalsContact O-N 3.12Å; S36-L39 PolarHBondContact OG-N 2.68Å
37D75.4Confident89.4Confident167 Ų16749.5 Ų49.589%0.89329%0.289SS*.THydrogen-bonded Turntrans-60.9-20.5169.3-63.1-25.1000112.3
38S88.1Confident89.4Confident42 Ų4248.9 Ų48.929%0.29429%0.286SS..THydrogen-bonded Turntrans-78.4-16.9178.1750000113.9S36 L40 A41 D42S36-S38 PolarHBondContact O-N 3.36Å; S36-S38 VanDerWaalsContact O-N 3.15Å; S36-S38 PolarHBondContact OG-N 3.45Å; S36-S38 PolarHBondContact OG-OG 2.88Å; S38-L40 VanDerWaalsContact C-N 3.29Å; S38-L40 PolarHBondContact O-N 3.38Å; S38-A41 WeakPolarHBondContact O-CB 3.46Å; S38-A41 PolarHBondContact O-N 2.91Å; S38-D42 PolarHBondContact O-N 2.66Å; S38-D42 PolarHBondContact OG-OD2 3.19Å
39L90.8Very high89.4Confident1 Ų149.2 Ų49.21%0.00529%0.289CS..Hα-helixtrans-56.2-42.6-169.6-179.662.7000112.3S36 A41 D42 I43 F70 V74S36-L39 VanDerWaalsContact O-CB 3.29Å; S36-L39 WeakPolarHBondContact O-CB 3.36Å; S36-L39 PolarHBondContact O-N 3.03Å; S36-L39 VanDerWaalsContact O-N 3.12Å; S36-L39 PolarHBondContact OG-N 2.68Å; L39-A41 VanDerWaalsContact C-N 3.35Å; L39-A41 PolarHBondContact O-N 2.92Å; L39-D42 PolarHBondContact O-N 3.22Å; L39-I43 HydrophobicContact CD1-CD1 3.9Å; L39-I43 HydrophobicContact CD1-CG1 4.19Å; L39-I43 HydrophobicContact CD2-CD1 4.47Å; L39-I43 HydrophobicContact CG-CD1 3.8Å; L39-I43 HydrophobicContact CG-CG1 4.43Å; L39-I43 WeakPolarHBondContact O-CB 3.37Å; L39-I43 VanDerWaalsContact O-CG1 3.22Å; L39-I43 WeakPolarHBondContact O-CG1 3.11Å; L39-I43 PolarHBondContact O-N 3.07Å; L39-F70 HydrophobicContact CD1-CE1 3.86Å; L39-F70 HydrophobicContact CD1-CZ 3.97Å; L39-V74 HydrophobicContact CD2-CG1 4.29Å; L39-V74 HydrophobicContact CD2-CG2 3.96Å
40L93.3Very high89.3Confident48 Ų4849 Ų4925%0.25129%0.288SS..Hα-helixtrans-66.4-36.4179-64.2179.7000112.4S38 T44 L79 A83 I86S38-L40 VanDerWaalsContact C-N 3.29Å; S38-L40 PolarHBondContact O-N 3.38Å; L40-T44 WeakPolarHBondContact O-CB 3.47Å; L40-T44 PolarHBondContact O-N 3.13Å; L40-T44 PolarHBondContact O-OG1 3.35Å; L40-L79 HydrophobicContact CD1-CD2 4.03Å; L40-L79 HydrophobicContact CG-CD2 4.19Å; L40-A83 HydrophobicContact CD2-CB 4.1Å; L40-I86 HydrophobicContact CD2-CD1 4.36Å
41A92.4Very high89.2Confident60 Ų6041.8 Ų41.850%0.49626%0.257SS..Hα-helixtrans-69.7-40.1176.100000111.5S38 L39 T44 T45S38-A41 WeakPolarHBondContact O-CB 3.46Å; S38-A41 PolarHBondContact O-N 2.91Å; L39-A41 VanDerWaalsContact C-N 3.35Å; L39-A41 PolarHBondContact O-N 2.92Å; A41-T44 PolarHBondContact O-N 3.06Å; A41-T45 PolarHBondContact O-N 3.1Å; A41-T45 PolarHBondContact O-OG1 3.39Å
42D93Very high89.2Confident10 Ų1042 Ų425%0.05325%0.248CC..Hα-helixtrans-64.4-47.5175.7-65.1-37.5000110.3L5 L32 S38 L39 T44 T45 I46L5-D42 HydrophobicContact CD1-CB 4.27Å; L32-D42 HydrophobicContact CD2-CB 4.33Å; S38-D42 PolarHBondContact O-N 2.66Å; S38-D42 PolarHBondContact OG-OD2 3.19Å; L39-D42 PolarHBondContact O-N 3.22Å; D42-T44 PolarHBondContact O-N 2.73Å; D42-T45 WeakPolarHBondContact O-CB 3.43Å; D42-T45 PolarHBondContact O-N 2.98Å; D42-T45 VanDerWaalsContact O-N 3.17Å; D42-I46 VanDerWaalsContact O-CG1 3.27Å; D42-I46 WeakPolarHBondContact O-CG1 3.47Å; D42-I46 PolarHBondContact O-N 3.4Å
43I94.5Very high89Confident0 Ų048.2 Ų48.20%028%0.281CS..Hα-helixtrans-60.3-44.5175.4-71.1172.6000111.3L39 T45 I46 V47 V71 A83 L87L39-I43 HydrophobicContact CD1-CD1 3.9Å; L39-I43 HydrophobicContact CD1-CG1 4.19Å; L39-I43 HydrophobicContact CD2-CD1 4.47Å; L39-I43 HydrophobicContact CG-CD1 3.8Å; L39-I43 HydrophobicContact CG-CG1 4.43Å; L39-I43 WeakPolarHBondContact O-CB 3.37Å; L39-I43 VanDerWaalsContact O-CG1 3.22Å; L39-I43 WeakPolarHBondContact O-CG1 3.11Å; L39-I43 PolarHBondContact O-N 3.07Å; I43-T45 VanDerWaalsContact C-N 3.26Å; I43-T45 PolarHBondContact O-N 2.99Å; I43-I46 PolarHBondContact O-N 3.5Å; I43-V47 HydrophobicContact CG2-CG2 4.03Å; I43-V47 WeakPolarHBondContact O-CB 3.27Å; I43-V47 VanDerWaalsContact O-CG2 3.22Å; I43-V47 WeakPolarHBondContact O-CG2 3.43Å; I43-V47 PolarHBondContact O-N 3.28Å; I43-V71 HydrophobicContact CD1-CG2 3.92Å; I43-A83 HydrophobicContact CD1-CB 3.52Å; I43-A83 HydrophobicContact CG2-CB 4.41Å; I43-L87 HydrophobicContact CG2-CD1 3.46Å; I43-L87 VanDerWaalsContact CG2-CD1 3.46Å
44T94.6Very high89.1Confident50 Ų5053.6 Ų53.631%0.30730%0.303SS..Hα-helixtrans-58.4-42.4177.1-61.20000110.8L40 A41 D42 N48L40-T44 WeakPolarHBondContact O-CB 3.47Å; L40-T44 PolarHBondContact O-N 3.13Å; L40-T44 PolarHBondContact O-OG1 3.35Å; A41-T44 PolarHBondContact O-N 3.06Å; D42-T44 PolarHBondContact O-N 2.73Å; T44-N48 VanDerWaalsContact O-CB 3.31Å; T44-N48 WeakPolarHBondContact O-CB 3.42Å; T44-N48 PolarHBondContact O-N 3.04Å; T44-N48 PolarHBondContact O-ND2 2.83Å; T44-N48 VanDerWaalsContact O-ND2 3.11Å
45T94.4Very high89.5Confident46 Ų4650.7 Ų50.728%0.28229%0.29SS..Hα-helixtrans-65.6-47.4177.9-57.50000110.9L5 L9 A41 D42 I43 V47 N48 T49L5-T45 HydrophobicContact CD2-CG2 3.46Å; L5-T45 VanDerWaalsContact CD2-CG2 3.46Å; L9-T45 HydrophobicContact CD1-CG2 4.47Å; A41-T45 PolarHBondContact O-N 3.1Å; A41-T45 PolarHBondContact O-OG1 3.39Å; D42-T45 WeakPolarHBondContact O-CB 3.43Å; D42-T45 PolarHBondContact O-N 2.98Å; D42-T45 VanDerWaalsContact O-N 3.17Å; I43-T45 VanDerWaalsContact C-N 3.26Å; I43-T45 PolarHBondContact O-N 2.99Å; T45-V47 PolarHBondContact O-N 3.45Å; T45-N48 PolarHBondContact O-N 3.44Å; T45-T49 PolarHBondContact O-N 2.85Å; T45-T49 PolarHBondContact O-OG1 3.04Å; T45-T49 VanDerWaalsContact O-OG1 3.04Å
46I95.3Very high90.1Very high0 Ų050.6 Ų50.60%029%0.286CS..Hα-helixtrans-57.1-52.3176.8-67.5163.5000111.1L5 L9 F25 L28 L29 L32 D42 I43 N48 T49 I50 L67L5-I46 HydrophobicContact CD1-CD1 4.42Å; L5-I46 HydrophobicContact CD1-CG1 4.45Å; L5-I46 HydrophobicContact CD2-CG1 4.23Å; L9-I46 HydrophobicContact CD1-CB 4.44Å; L9-I46 HydrophobicContact CD1-CG1 3.91Å; L9-I46 HydrophobicContact CD2-CG1 4.28Å; F25-I46 HydrophobicContact CE2-CG2 3.74Å; F25-I46 HydrophobicContact CZ-CG2 3.61Å; L28-I46 HydrophobicContact CD2-CD1 4.17Å; L29-I46 HydrophobicContact CD2-CD1 3.98Å; L32-I46 HydrophobicContact CD1-CD1 3.62Å; D42-I46 VanDerWaalsContact O-CG1 3.27Å; D42-I46 WeakPolarHBondContact O-CG1 3.47Å; D42-I46 PolarHBondContact O-N 3.4Å; I43-I46 PolarHBondContact O-N 3.5Å; I46-N48 VanDerWaalsContact C-N 3.29Å; I46-N48 PolarHBondContact O-N 2.81Å; I46-T49 PolarHBondContact O-N 2.91Å; I46-T49 VanDerWaalsContact O-N 3.1Å; I46-I50 HydrophobicContact CG2-CG2 4.31Å; I46-I50 WeakPolarHBondContact O-CG1 2.99Å; I46-I50 WeakPolarHBondContact O-CG2 3.3Å; I46-I50 PolarHBondContact O-N 3.46Å; I46-L67 HydrophobicContact CG2-CD1 4.2Å; I46-L67 HydrophobicContact CG2-CD2 3.96Å
47V94.4Very high90.8Very high0 Ų051.8 Ų51.80%029%0.292CS..Hα-helixtrans-59.3-41.8-178.9168.20000111.1I43 T45 S51 L67 I86 L87 R90 M91I43-V47 HydrophobicContact CG2-CG2 4.03Å; I43-V47 WeakPolarHBondContact O-CB 3.27Å; I43-V47 VanDerWaalsContact O-CG2 3.22Å; I43-V47 WeakPolarHBondContact O-CG2 3.43Å; I43-V47 PolarHBondContact O-N 3.28Å; T45-V47 PolarHBondContact O-N 3.45Å; V47-S51 VanDerWaalsContact O-CB 3.28Å; V47-S51 WeakPolarHBondContact O-CB 3.49Å; V47-S51 PolarHBondContact O-N 3.29Å; V47-S51 PolarHBondContact O-OG 3.22Å; V47-L67 HydrophobicContact CG2-CD2 3.57Å; V47-I86 HydrophobicContact CG1-CG2 4.47Å; V47-L87 HydrophobicContact CG2-CD1 3.51Å; V47-L87 HydrophobicContact CG2-CG 3.67Å; V47-R90 HydrophobicContact CG1-CB 3.35Å; V47-R90 HydrophobicContact CG1-CG 3.48Å; V47-R90 VanDerWaalsContact CG1-CG 3.48Å; V47-M91 HydrophobicContact CG1-CE 4.37Å
48N93.1Very high91.6Very high71 Ų7149.7 Ų49.738%0.3828%0.279SS..Hα-helixtrans-65.5-39.3176.1-75.4-27000112.2T44 T45 I46 S51 Q52T44-N48 VanDerWaalsContact O-CB 3.31Å; T44-N48 WeakPolarHBondContact O-CB 3.42Å; T44-N48 PolarHBondContact O-N 3.04Å; T44-N48 PolarHBondContact O-ND2 2.83Å; T44-N48 VanDerWaalsContact O-ND2 3.11Å; T45-N48 PolarHBondContact O-N 3.44Å; I46-N48 VanDerWaalsContact C-N 3.29Å; I46-N48 PolarHBondContact O-N 2.81Å; N48-S51 PolarHBondContact O-OG 2.94Å; N48-S51 VanDerWaalsContact O-OG 3.05Å; N48-Q52 WeakPolarHBondContact O-CG 3.47Å
49T93.2Very high91.7Very high18 Ų1848.6 Ų48.611%0.1127%0.273CS..Hα-helixtrans-71.4-47179.2-56.30000112.6L9 T13 T45 I46 S51 Q52L9-T49 HydrophobicContact CB-CG2 3.84Å; L9-T49 HydrophobicContact CD1-CG2 4.44Å; T13-T49 HydrophobicContact CG2-CG2 4.13Å; T45-T49 PolarHBondContact O-N 2.85Å; T45-T49 PolarHBondContact O-OG1 3.04Å; T45-T49 VanDerWaalsContact O-OG1 3.04Å; I46-T49 PolarHBondContact O-N 2.91Å; I46-T49 VanDerWaalsContact O-N 3.1Å; T49-S51 PolarHBondContact O-N 3.09Å; T49-Q52 WeakPolarHBondContact O-CG 3.42Å; T49-Q52 PolarHBondContact O-N 2.93Å
50I92.2Very high91.9Very high1 Ų148.5 Ų48.51%0.00527%0.272CS..Hα-helixtrans-69.3-17.9-177.468.2174.7000113.2F25 I46 A60 F63 L67 M91F25-I50 HydrophobicContact CE2-CG2 3.93Å; F25-I50 HydrophobicContact CZ-CG2 4.23Å; I46-I50 HydrophobicContact CG2-CG2 4.31Å; I46-I50 WeakPolarHBondContact O-CG1 2.99Å; I46-I50 WeakPolarHBondContact O-CG2 3.3Å; I46-I50 PolarHBondContact O-N 3.46Å; I50-A60 WeakPolarHBondContact O-CB 3.25Å; I50-F63 HydrophobicContact CB-CB 4.3Å; I50-F63 HydrophobicContact CB-CD2 4.27Å; I50-F63 HydrophobicContact CD1-CB 4.16Å; I50-F63 HydrophobicContact CG2-CB 3.97Å; I50-F63 HydrophobicContact CG2-CD2 3.95Å; I50-F63 HydrophobicContact CG2-CG 4.26Å; I50-L67 HydrophobicContact CD1-CD2 4.35Å; I50-M91 HydrophobicContact CD1-CE 3.88Å; I50-M91 HydrophobicContact CG1-CE 4.01Å
51S89.6Confident92Very high7 Ų750.9 Ų50.95%0.04928%0.278CS..THydrogen-bonded Turntrans-93.1-2-18058.10000114.2V47 N48 T49 R90V47-S51 VanDerWaalsContact O-CB 3.28Å; V47-S51 WeakPolarHBondContact O-CB 3.49Å; V47-S51 PolarHBondContact O-N 3.29Å; V47-S51 PolarHBondContact O-OG 3.22Å; N48-S51 PolarHBondContact O-OG 2.94Å; N48-S51 VanDerWaalsContact O-OG 3.05Å; T49-S51 PolarHBondContact O-N 3.09Å; S51-R90 PolarHBondContact OG-NE 3.39Å; S51-R90 PolarHBondContact OG-NH2 3.24Å; S51-R90 VanDerWaalsContact OG-NH2 3.1Å
52Q89.1Confident92.1Very high97 Ų9752.1 Ų52.145%0.45327%0.272SS..SBendtrans-64.8149.8177.2-65.3179.5-7.500111.7N48 T49 M54 V55N48-Q52 WeakPolarHBondContact O-CG 3.47Å; T49-Q52 WeakPolarHBondContact O-CG 3.42Å; T49-Q52 PolarHBondContact O-N 2.93Å; Q52-M54 PolarHBondContact O-N 3.11Å; Q52-M54 VanDerWaalsContact O-N 3.16Å; Q52-V55 PolarHBondContact O-N 3.28Å
53D85.4Confident92.2Very high150 Ų15051.7 Ų51.780%0.80227%0.27SS*.THydrogen-bonded Turntrans-62.9-24.4-176.8-65.5-30.8000113.7V55D53-V55 PolarHBondContact O-N 3.32Å
54M87.2Confident92.3Very high172 Ų17251.7 Ų51.785%0.84727%0.27SS*.THydrogen-bonded Turntrans-69.1-21.9176.3-60.5-60.3-70.900112.7Q52Q52-M54 PolarHBondContact O-N 3.11Å; Q52-M54 VanDerWaalsContact O-N 3.16Å
55V89.6Confident92.4Very high6 Ų651.4 Ų51.44%0.03627%0.266CS..SBendtrans-86121.5178.5-173.10000109.1T13 Q52 D53 A59 A60 F63T13-V55 HydrophobicContact CG2-CG2 3.65Å; Q52-V55 PolarHBondContact O-N 3.28Å; D53-V55 PolarHBondContact O-N 3.32Å; V55-A59 HydrophobicContact CG1-CB 4.22Å; V55-A60 HydrophobicContact CG1-CB 4.04Å; V55-F63 HydrophobicContact CG1-CD2 4.32Å; V55-F63 HydrophobicContact CG1-CE2 4.11Å
56T90.6Very high92.5Very high92 Ų9252.1 Ų52.156%0.56427%0.267SS*.  trans-58.7142.8177.869.60000111I58 A59 A60T56-I58 PolarHBondContact O-N 2.93Å; T56-I58 VanDerWaalsContact O-N 3.16Å; T56-A59 PolarHBondContact O-N 2.84Å; T56-A59 WeakPolarHBondContact OG1-CB 3.28Å; T56-A59 PolarHBondContact OG1-N 3.38Å; T56-A60 PolarHBondContact O-N 2.95Å
57V90.9Very high92.5Very high49 Ų4952.1 Ų52.130%0.29727%0.267SS..Hα-helixtrans-55.3-37.9-179.6176.80000111.8A60 R61 A97V57-A60 PolarHBondContact O-N 3.27Å; V57-R61 HydrophobicContact CG1-CG 4.42Å; V57-R61 WeakPolarHBondContact O-CB 3.2Å; V57-R61 VanDerWaalsContact O-CG 3.3Å; V57-R61 WeakPolarHBondContact O-CG 3.33Å; V57-R61 PolarHBondContact O-N 3.35Å; V57-A97 HydrophobicContact CG1-CB 4.05Å
58I91.2Very high92.7Very high123 Ų12352.1 Ų52.163%0.63127%0.267SS*.Hα-helixtrans-63.9-44.7179.5-59.7174000111T56 K62T56-I58 PolarHBondContact O-N 2.93Å; T56-I58 VanDerWaalsContact O-N 3.16Å; I58-K62 PolarHBondContact O-N 3.05Å
59A92.1Very high92.8Very high19 Ų1952.1 Ų52.116%0.15727%0.267CS..Hα-helixtrans-68.2-45.3177.200000111.2V55 T56 R61 K62 F63V55-A59 HydrophobicContact CG1-CB 4.22Å; T56-A59 PolarHBondContact O-N 2.84Å; T56-A59 WeakPolarHBondContact OG1-CB 3.28Å; T56-A59 PolarHBondContact OG1-N 3.38Å; A59-R61 VanDerWaalsContact C-N 3.3Å; A59-R61 PolarHBondContact O-N 3.49Å; A59-K62 PolarHBondContact O-N 3.31Å; A59-K62 VanDerWaalsContact O-N 3.15Å; A59-F63 HydrophobicContact CB-CD2 4.43Å; A59-F63 HydrophobicContact CB-CE2 3.87Å; A59-F63 HydrophobicContact CB-CZ 4.24Å; A59-F63 VanDerWaalsContact O-CD2 3.24Å; A59-F63 WeakPolarHBondContact O-CD2 3.48Å; A59-F63 VanDerWaalsContact O-CG 3.26Å; A59-F63 WeakPolarHBondContact O-CG 3.41Å; A59-F63 PolarHBondContact O-N 2.89Å
60A93.6Very high93Very high0 Ų051.9 Ų51.90%026%0.264CS..Hα-helixtrans-58.4-39.5178.600000112.6I50 V55 T56 V57 F63 C64 F98I50-A60 WeakPolarHBondContact O-CB 3.25Å; V55-A60 HydrophobicContact CG1-CB 4.04Å; T56-A60 PolarHBondContact O-N 2.95Å; V57-A60 PolarHBondContact O-N 3.27Å; A60-F63 PolarHBondContact O-N 3.33Å; A60-C64 WeakPolarHBondContact O-CB 3.29Å; A60-C64 PolarHBondContact O-N 3.15Å; A60-F98 HydrophobicContact CB-CE1 3.89Å; A60-F98 HydrophobicContact CB-CZ 3.75Å
61R94.8Very high93.2Very high97 Ų9751.8 Ų51.837%0.36626%0.264SS..Hα-helixtrans-59.3-51173.6-77.3-179.8-176.2174.9-1.7111.7V57 A59 F63 C64 D65 A97 F98V57-R61 HydrophobicContact CG1-CG 4.42Å; V57-R61 WeakPolarHBondContact O-CB 3.2Å; V57-R61 VanDerWaalsContact O-CG 3.3Å; V57-R61 WeakPolarHBondContact O-CG 3.33Å; V57-R61 PolarHBondContact O-N 3.35Å; A59-R61 VanDerWaalsContact C-N 3.3Å; A59-R61 PolarHBondContact O-N 3.49Å; R61-F63 VanDerWaalsContact C-N 3.35Å; R61-F63 PolarHBondContact O-N 3.43Å; R61-C64 WeakPolarHBondContact O-CA 3.31Å; R61-C64 VanDerWaalsContact O-CB 3.32Å; R61-C64 WeakPolarHBondContact O-CB 3.19Å; R61-C64 PolarHBondContact O-N 2.9Å; R61-C64 VanDerWaalsContact O-N 3.11Å; R61-D65 PolarHBondContact O-N 3.42Å; R61-A97 PolarHBondContact NE-O 3.27Å; R61-A97 PolarHBondContact NH2-O 3.27Å; R61-F98 HydrophobicContact CG-CD1 3.98Å; R61-F98 HydrophobicContact CG-CE1 4.03Å
62K94.8Very high93.5Very high86 Ų8654 Ų5437%0.37428%0.275SS..Hα-helixtrans-61.1-42.3178-69.2-173.2176.6-1700112.6T22 I58 A59 C64 D65 E66T22-K62 HydrophobicContact CG2-CB 4.44Å; I58-K62 PolarHBondContact O-N 3.05Å; A59-K62 PolarHBondContact O-N 3.31Å; A59-K62 VanDerWaalsContact O-N 3.15Å; K62-C64 VanDerWaalsContact C-N 3.29Å; K62-C64 PolarHBondContact O-N 3.43Å; K62-D65 PolarHBondContact O-N 3.17Å; K62-E66 WeakPolarHBondContact O-CG 3.4Å; K62-E66 PolarHBondContact O-N 3.11Å
63F96Very high93.7Very high2 Ų255.3 Ų55.31%0.00928%0.281CS..Hα-helixtrans-63.7-38.3175.5-60.2-35.5000111.4I12 A21 F25 I50 V55 A59 A60 R61 E66 L67I12-F63 HydrophobicContact CG2-CE1 4.02Å; I12-F63 HydrophobicContact CG2-CZ 3.85Å; A21-F63 HydrophobicContact CB-CE1 4.32Å; A21-F63 HydrophobicContact CB-CZ 4.04Å; F25-F63 HydrophobicContact CB-CD1 3.74Å; F25-F63 HydrophobicContact CB-CE1 3.8Å; F25-F63 HydrophobicContact CD1-CB 4.09Å; F25-F63 AromaticContact CD1-CD1 3.74Å; F25-F63 HydrophobicContact CD1-CD1 3.74Å; F25-F63 HydrophobicContact CD1-CG 4.27Å; F25-F63 HydrophobicContact CD2-CD1 4.05Å; F25-F63 HydrophobicContact CD2-CE1 4.5Å; F25-F63 HydrophobicContact CD2-CG 4.36Å; F25-F63 HydrophobicContact CE1-CB 3.82Å; F25-F63 HydrophobicContact CE1-CD1 4.34Å; F25-F63 HydrophobicContact CE1-CG 4.43Å; F25-F63 WeakPolarHBondContact CE1-O 3.37Å; F25-F63 HydrophobicContact CE2-CB 4.37Å; F25-F63 HydrophobicContact CG-CB 4.47Å; F25-F63 AromaticContact CG-CD1 3.56Å; F25-F63 HydrophobicContact CG-CD1 3.56Å; F25-F63 HydrophobicContact CG-CE1 4.08Å; F25-F63 HydrophobicContact CG-CG 4.22Å; F25-F63 HydrophobicContact CZ-CB 3.97Å; I50-F63 HydrophobicContact CB-CB 4.3Å; I50-F63 HydrophobicContact CB-CD2 4.27Å; I50-F63 HydrophobicContact CD1-CB 4.16Å; I50-F63 HydrophobicContact CG2-CB 3.97Å; I50-F63 HydrophobicContact CG2-CD2 3.95Å; I50-F63 HydrophobicContact CG2-CG 4.26Å; V55-F63 HydrophobicContact CG1-CD2 4.32Å; V55-F63 HydrophobicContact CG1-CE2 4.11Å; A59-F63 HydrophobicContact CB-CD2 4.43Å; A59-F63 HydrophobicContact CB-CE2 3.87Å; A59-F63 HydrophobicContact CB-CZ 4.24Å; A59-F63 VanDerWaalsContact O-CD2 3.24Å; A59-F63 WeakPolarHBondContact O-CD2 3.48Å; A59-F63 VanDerWaalsContact O-CG 3.26Å; A59-F63 WeakPolarHBondContact O-CG 3.41Å; A59-F63 PolarHBondContact O-N 2.89Å; A60-F63 PolarHBondContact O-N 3.33Å; R61-F63 VanDerWaalsContact C-N 3.35Å; R61-F63 PolarHBondContact O-N 3.43Å; F63-E66 PolarHBondContact O-N 3.13Å; F63-L67 VanDerWaalsContact O-CB 3.29Å; F63-L67 WeakPolarHBondContact O-CB 3.44Å; F63-L67 PolarHBondContact O-N 3.16Å
64C96.1Very high94.2Very high0 Ų048.2 Ų48.20%024%0.243CC..Hα-helixtrans-63.1-45.2174-1670000111.5A60 R61 K62 E66 L67 I68 Q101A60-C64 WeakPolarHBondContact O-CB 3.29Å; A60-C64 PolarHBondContact O-N 3.15Å; R61-C64 WeakPolarHBondContact O-CA 3.31Å; R61-C64 VanDerWaalsContact O-CB 3.32Å; R61-C64 WeakPolarHBondContact O-CB 3.19Å; R61-C64 PolarHBondContact O-N 2.9Å; R61-C64 VanDerWaalsContact O-N 3.11Å; K62-C64 VanDerWaalsContact C-N 3.29Å; K62-C64 PolarHBondContact O-N 3.43Å; C64-E66 PolarHBondContact O-N 3.37Å; C64-L67 PolarHBondContact O-N 3.45Å; C64-I68 WeakPolarHBondContact O-CD1 3.37Å; C64-I68 WeakPolarHBondContact O-CG1 3.5Å; C64-I68 PolarHBondContact O-N 2.85Å; C64-Q101 HydrophobicContact CB-CG 3.86Å
65D96.3Very high94.5Very high43 Ų4344.1 Ų44.123%0.2323%0.229CC..Hα-helixtrans-58.5-47177.3-56.1-25.7000111R61 K62 L67 I68 N69 Q101R61-D65 PolarHBondContact O-N 3.42Å; K62-D65 PolarHBondContact O-N 3.17Å; D65-L67 VanDerWaalsContact C-N 3.34Å; D65-L67 PolarHBondContact O-N 2.81Å; D65-I68 PolarHBondContact O-N 3.06Å; D65-N69 PolarHBondContact O-N 3.41Å; D65-N69 PolarHBondContact O-ND2 2.94Å; D65-N69 VanDerWaalsContact O-ND2 3.14Å; D65-Q101 WeakPolarHBondContact OD1-CG 3.48Å; D65-Q101 PolarHBondContact OD1-NE2 3.2Å
66E96.6Very high94.7Very high62 Ų6247.2 Ų47.229%0.2925%0.246SC..Hα-helixtrans-62.5-39.4176-69.2-64.5140.100112.4T22 F25 S26 L29 K62 F63 C64 N69 F70T22-E66 HydrophobicContact CG2-CG 3.99Å; F25-E66 HydrophobicContact CD1-CB 3.86Å; F25-E66 HydrophobicContact CD1-CG 4.48Å; F25-E66 HydrophobicContact CE1-CB 3.99Å; S26-E66 WeakPolarHBondContact CB-OE2 3.19Å; S26-E66 PolarHBondContact OG-OE2 3.06Å; L29-E66 HydrophobicContact CD1-CB 4.07Å; L29-E66 WeakPolarHBondContact CD1-O 3.33Å; K62-E66 WeakPolarHBondContact O-CG 3.4Å; K62-E66 PolarHBondContact O-N 3.11Å; F63-E66 PolarHBondContact O-N 3.13Å; C64-E66 PolarHBondContact O-N 3.37Å; E66-N69 PolarHBondContact O-N 2.96Å; E66-F70 WeakPolarHBondContact O-CB 3.41Å; E66-F70 PolarHBondContact O-N 3.26Å
67L96.7Very high94.9Very high0 Ų045.1 Ų45.10%023%0.231CC..Hα-helixtrans-69.8-39.2178.7-170.564000111.8F25 L29 I46 V47 I50 F63 C64 D65 N69 F70 V71 L87F25-L67 HydrophobicContact CE1-CB 4.36Å; F25-L67 HydrophobicContact CZ-CB 4.5Å; L29-L67 HydrophobicContact CD1-CB 4.48Å; L29-L67 HydrophobicContact CD1-CD1 4.29Å; L29-L67 HydrophobicContact CD2-CD1 3.58Å; I46-L67 HydrophobicContact CG2-CD1 4.2Å; I46-L67 HydrophobicContact CG2-CD2 3.96Å; V47-L67 HydrophobicContact CG2-CD2 3.57Å; I50-L67 HydrophobicContact CD1-CD2 4.35Å; F63-L67 VanDerWaalsContact O-CB 3.29Å; F63-L67 WeakPolarHBondContact O-CB 3.44Å; F63-L67 PolarHBondContact O-N 3.16Å; C64-L67 PolarHBondContact O-N 3.45Å; D65-L67 VanDerWaalsContact C-N 3.34Å; D65-L67 PolarHBondContact O-N 2.81Å; L67-N69 VanDerWaalsContact C-N 3.35Å; L67-F70 HydrophobicContact CD1-CD1 4.27Å; L67-F70 PolarHBondContact O-N 3.07Å; L67-V71 VanDerWaalsContact O-CG2 3.3Å; L67-V71 WeakPolarHBondContact O-CG2 3.43Å; L67-V71 PolarHBondContact O-N 3.45Å; L67-L87 HydrophobicContact CB-CD2 4.28Å; L67-L87 HydrophobicContact CD2-CD1 3.84Å; L67-L87 HydrophobicContact CD2-CD2 3.74Å; L67-L87 HydrophobicContact CD2-CG 3.84Å; L67-L87 HydrophobicContact CG-CD1 4.3Å; L67-L87 HydrophobicContact CG-CD2 3.83Å; L67-L87 HydrophobicContact CG-CG 4.41Å
68I97.4Very high95.1Very high0 Ų045.9 Ų45.90%024%0.239CC..Hα-helixtrans-59.5-48.4172.8-67.6162.1000109.7C64 D65 F70 V71 N72 L87 E104 L105C64-I68 WeakPolarHBondContact O-CD1 3.37Å; C64-I68 WeakPolarHBondContact O-CG1 3.5Å; C64-I68 PolarHBondContact O-N 2.85Å; D65-I68 PolarHBondContact O-N 3.06Å; I68-F70 VanDerWaalsContact C-N 3.32Å; I68-F70 PolarHBondContact O-N 2.79Å; I68-V71 PolarHBondContact O-N 3.27Å; I68-N72 WeakPolarHBondContact O-CB 3.41Å; I68-N72 PolarHBondContact O-N 3.31Å; I68-N72 PolarHBondContact O-ND2 3.34Å; I68-L87 HydrophobicContact CG1-CD2 4.1Å; I68-E104 HydrophobicContact CD1-CB 4.35Å; I68-E104 HydrophobicContact CD1-CG 4.43Å; I68-E104 HydrophobicContact CG2-CG 4.11Å; I68-L105 HydrophobicContact CD1-CD1 4.43Å; I68-L105 HydrophobicContact CD1-CD2 4.01Å; I68-L105 HydrophobicContact CD1-CG 3.71Å; I68-L105 HydrophobicContact CG1-CD2 3.61Å; I68-L105 HydrophobicContact CG1-CG 3.92Å
69N96.5Very high95.3Very high71 Ų7141.7 Ų41.738%0.3822%0.217SC..Hα-helixtrans-59.5-41.5177.8-76.2-38.2000112.6D65 E66 L67 N72 Q73D65-N69 PolarHBondContact O-N 3.41Å; D65-N69 PolarHBondContact O-ND2 2.94Å; D65-N69 VanDerWaalsContact O-ND2 3.14Å; E66-N69 PolarHBondContact O-N 2.96Å; L67-N69 VanDerWaalsContact C-N 3.35Å; N69-N72 PolarHBondContact O-N 3.34Å; N69-Q73 WeakPolarHBondContact O-CG 3.25Å; N69-Q73 PolarHBondContact O-N 3.25Å
70F96.3Very high95.5Very high12 Ų1240.8 Ų40.85%0.05321%0.21CC..Hα-helixtrans-64.1-48.3175.1169.1-101.4000112.2L29 L32 Q34 L39 E66 L67 I68 N72 Q73L29-F70 HydrophobicContact CB-CB 4.2Å; L29-F70 HydrophobicContact CB-CD2 3.96Å; L29-F70 HydrophobicContact CB-CG 4.02Å; L29-F70 HydrophobicContact CD1-CB 3.87Å; L29-F70 HydrophobicContact CD1-CG 4.39Å; L29-F70 HydrophobicContact CD2-CD1 4.27Å; L29-F70 HydrophobicContact CD2-CG 4.4Å; L29-F70 HydrophobicContact CG-CB 4.48Å; L29-F70 WeakPolarHBondContact O-CE2 3.42Å; L32-F70 HydrophobicContact CB-CE2 4.38Å; L32-F70 HydrophobicContact CB-CZ 3.86Å; L32-F70 HydrophobicContact CD1-CZ 4.49Å; Q34-F70 HydrophobicContact CG-CE2 4.01Å; Q34-F70 HydrophobicContact CG-CZ 4.33Å; L39-F70 HydrophobicContact CD1-CE1 3.86Å; L39-F70 HydrophobicContact CD1-CZ 3.97Å; E66-F70 WeakPolarHBondContact O-CB 3.41Å; E66-F70 PolarHBondContact O-N 3.26Å; L67-F70 HydrophobicContact CD1-CD1 4.27Å; L67-F70 PolarHBondContact O-N 3.07Å; I68-F70 VanDerWaalsContact C-N 3.32Å; I68-F70 PolarHBondContact O-N 2.79Å; F70-N72 VanDerWaalsContact C-N 3.26Å; F70-N72 PolarHBondContact O-N 2.93Å; F70-Q73 WeakPolarHBondContact O-CB 3.46Å; F70-Q73 PolarHBondContact O-N 3.38Å
71V96.2Very high95.7Very high0 Ų041.6 Ų41.60%021%0.214CC..Hα-helixtrans-63.7-35.1178.71770000111.1I43 L67 I68 Q73 V74 A80 A83 L84I43-V71 HydrophobicContact CD1-CG2 3.92Å; L67-V71 VanDerWaalsContact O-CG2 3.3Å; L67-V71 WeakPolarHBondContact O-CG2 3.43Å; L67-V71 PolarHBondContact O-N 3.45Å; I68-V71 PolarHBondContact O-N 3.27Å; V71-Q73 PolarHBondContact O-N 2.89Å; V71-Q73 VanDerWaalsContact O-N 3.16Å; V71-V74 VanDerWaalsContact O-CB 3.31Å; V71-V74 WeakPolarHBondContact O-CB 3.46Å; V71-V74 WeakPolarHBondContact O-CG2 3.29Å; V71-V74 PolarHBondContact O-N 3.35Å; V71-A80 HydrophobicContact CG1-CB 4.25Å; V71-A83 HydrophobicContact CG1-CB 3.68Å; V71-A83 HydrophobicContact CG2-CB 4.02Å; V71-L84 HydrophobicContact CB-CD2 4.4Å; V71-L84 HydrophobicContact CG1-CD1 4.42Å; V71-L84 HydrophobicContact CG1-CD2 4Å; V71-L84 HydrophobicContact CG1-CG 3.74Å
72N95.7Very high95.8Very high54 Ų5439 Ų3929%0.28921%0.211SC..THydrogen-bonded Turntrans-64.7-14.4174.2-80.3-22.7000113.8I68 N69 F70 S108 R112I68-N72 WeakPolarHBondContact O-CB 3.41Å; I68-N72 PolarHBondContact O-N 3.31Å; I68-N72 PolarHBondContact O-ND2 3.34Å; N69-N72 PolarHBondContact O-N 3.34Å; F70-N72 VanDerWaalsContact C-N 3.26Å; F70-N72 PolarHBondContact O-N 2.93Å; N72-S108 PolarHBondContact ND2-OG 3.28Å; N72-S108 WeakPolarHBondContact OD1-CB 3.36Å; N72-R112 VanDerWaalsContact C-NH2 3.29Å; N72-R112 PolarHBondContact O-NH2 3Å
73Q94.6Very high95.8Very high124 Ų12435 Ų3558%0.57919%0.193SC*.THydrogen-bonded Turntrans-93.5-7.9173.2-65.716921.300113.2N69 F70 V71 P75N69-Q73 WeakPolarHBondContact O-CG 3.25Å; N69-Q73 PolarHBondContact O-N 3.25Å; F70-Q73 WeakPolarHBondContact O-CB 3.46Å; F70-Q73 PolarHBondContact O-N 3.38Å; V71-Q73 PolarHBondContact O-N 2.89Å; V71-Q73 VanDerWaalsContact O-N 3.16Å; Q73-P75 WeakPolarHBondContact O-CD 3.49Å
74V94.6Very high95.9Very high1 Ų134.9 Ų34.91%0.00619%0.193CC..  trans-64124.7177.1175.30000109.4L39 V71 L79 A80 R112L39-V74 HydrophobicContact CD2-CG1 4.29Å; L39-V74 HydrophobicContact CD2-CG2 3.96Å; V71-V74 VanDerWaalsContact O-CB 3.31Å; V71-V74 WeakPolarHBondContact O-CB 3.46Å; V71-V74 WeakPolarHBondContact O-CG2 3.29Å; V71-V74 PolarHBondContact O-N 3.35Å; V74-L79 HydrophobicContact CG1-CB 4.3Å; V74-A80 HydrophobicContact CB-CB 4.26Å; V74-A80 HydrophobicContact CG1-CB 4.38Å; V74-R112 PolarHBondContact O-NH1 2.93Å; V74-R112 VanDerWaalsContact O-NH1 3.12Å; V74-R112 PolarHBondContact O-NH2 2.78Å
75P93.6Very high96Very high86 Ų8638.3 Ų38.356%0.55821%0.209SC*.SBendtrans-67.7-39.2-177.7-23.634.3000113.6Q73 N77Q73-P75 WeakPolarHBondContact O-CD 3.49Å; P75-N77 PolarHBondContact O-N 3.46Å
76D94.3Very high96Very high70 Ų7038.4 Ų38.437%0.37421%0.209SC..  trans-75.9114.6180-175.9-11.4000110.7S78 L79 A80D76-S78 VanDerWaalsContact C-N 3.29Å; D76-S78 VanDerWaalsContact CG-OG 3.27Å; D76-S78 PolarHBondContact O-N 2.84Å; D76-S78 WeakPolarHBondContact OD1-CB 3.43Å; D76-S78 PolarHBondContact OD1-N 3.48Å; D76-S78 PolarHBondContact OD1-OG 2.95Å; D76-S78 PolarHBondContact OD2-OG 3.29Å; D76-L79 HydrophobicContact CB-CB 4.15Å; D76-L79 HydrophobicContact CB-CD1 4.04Å; D76-L79 HydrophobicContact CB-CG 4.2Å; D76-L79 WeakPolarHBondContact OD2-CG 3.42Å; D76-A80 WeakPolarHBondContact O-CB 3.23Å; D76-A80 PolarHBondContact O-N 3.15Å
77N95.5Very high96Very high49 Ų4935.5 Ų35.526%0.26220%0.195SC..Hα-helixtrans-61.8-35.9178.4-72.1-45.2000112.6P75 A80 I81 R112 V116P75-N77 PolarHBondContact O-N 3.46Å; N77-A80 PolarHBondContact O-N 3.46Å; N77-I81 WeakPolarHBondContact O-CB 3.47Å; N77-I81 WeakPolarHBondContact O-CD1 3.43Å; N77-I81 WeakPolarHBondContact O-CG1 3.22Å; N77-I81 PolarHBondContact O-N 3.25Å; N77-R112 WeakPolarHBondContact OD1-CD 3.46Å; N77-R112 PolarHBondContact OD1-NH1 3.3Å; N77-V116 HydrophobicContact CB-CG1 3.47Å; N77-V116 VanDerWaalsContact CB-CG1 3.47Å
78S94.6Very high96Very high65 Ų6536.7 Ų36.746%0.45520%0.202SC..Hα-helixtrans-67.7-46.4-177.368.80000111.4D76 I81 S82D76-S78 VanDerWaalsContact C-N 3.29Å; D76-S78 VanDerWaalsContact CG-OG 3.27Å; D76-S78 PolarHBondContact O-N 2.84Å; D76-S78 WeakPolarHBondContact OD1-CB 3.43Å; D76-S78 PolarHBondContact OD1-N 3.48Å; D76-S78 PolarHBondContact OD1-OG 2.95Å; D76-S78 PolarHBondContact OD2-OG 3.29Å; S78-I81 PolarHBondContact O-N 2.81Å; S78-S82 PolarHBondContact O-N 3.35Å; S78-S82 VanDerWaalsContact O-N 3.08Å; S78-S82 PolarHBondContact O-OG 3.08Å
79L94.6Very high95.9Very high34 Ų3440.7 Ų40.718%0.17823%0.23CC..Hα-helixtrans-62.8-42.1173.4-69.2177.1000111.7L40 V74 D76 I81 S82 A83L40-L79 HydrophobicContact CD1-CD2 4.03Å; L40-L79 HydrophobicContact CG-CD2 4.19Å; V74-L79 HydrophobicContact CG1-CB 4.3Å; D76-L79 HydrophobicContact CB-CB 4.15Å; D76-L79 HydrophobicContact CB-CD1 4.04Å; D76-L79 HydrophobicContact CB-CG 4.2Å; D76-L79 WeakPolarHBondContact OD2-CG 3.42Å; L79-I81 PolarHBondContact O-N 3.47Å; L79-S82 PolarHBondContact O-N 2.96Å; L79-A83 WeakPolarHBondContact O-CB 3.28Å; L79-A83 PolarHBondContact O-N 2.96Å
80A96.4Very high95.9Very high0 Ų041.9 Ų41.90%023%0.229CC..Hα-helixtrans-62.3-41.9177.200000112.2V71 V74 D76 N77 A83 L84 R112V71-A80 HydrophobicContact CG1-CB 4.25Å; V74-A80 HydrophobicContact CB-CB 4.26Å; V74-A80 HydrophobicContact CG1-CB 4.38Å; D76-A80 WeakPolarHBondContact O-CB 3.23Å; D76-A80 PolarHBondContact O-N 3.15Å; N77-A80 PolarHBondContact O-N 3.46Å; A80-A83 PolarHBondContact O-N 2.92Å; A80-L84 WeakPolarHBondContact O-CB 3.49Å; A80-L84 VanDerWaalsContact O-CG 3.25Å; A80-L84 WeakPolarHBondContact O-CG 3.44Å; A80-L84 PolarHBondContact O-N 3.48Å; A80-R112 HydrophobicContact CB-CG 4.37Å
81I97.9Very high95.7Very high17 Ų1741.4 Ų41.49%0.08723%0.227CC..Hα-helixtrans-59.8-51.9175.5-72.8160.9000110.3N77 S78 L79 A83 L84 Q85 L109 R112 L113 V116N77-I81 WeakPolarHBondContact O-CB 3.47Å; N77-I81 WeakPolarHBondContact O-CD1 3.43Å; N77-I81 WeakPolarHBondContact O-CG1 3.22Å; N77-I81 PolarHBondContact O-N 3.25Å; S78-I81 PolarHBondContact O-N 2.81Å; L79-I81 PolarHBondContact O-N 3.47Å; I81-A83 VanDerWaalsContact C-N 3.32Å; I81-A83 PolarHBondContact O-N 3.33Å; I81-L84 PolarHBondContact O-N 3.25Å; I81-Q85 HydrophobicContact CG2-CG 4.38Å; I81-Q85 WeakPolarHBondContact O-CB 3.46Å; I81-Q85 WeakPolarHBondContact O-CG 3.33Å; I81-Q85 PolarHBondContact O-N 3.06Å; I81-L109 HydrophobicContact CB-CD1 4.35Å; I81-L109 HydrophobicContact CG1-CD1 4.36Å; I81-L109 HydrophobicContact CG2-CD1 3.96Å; I81-R112 HydrophobicContact CD1-CB 4.35Å; I81-R112 HydrophobicContact CG1-CB 3.68Å; I81-L113 HydrophobicContact CD1-CD2 4.05Å; I81-L113 HydrophobicContact CD1-CG 4.46Å; I81-L113 HydrophobicContact CG1-CD2 4.33Å; I81-L113 HydrophobicContact CG1-CG 4.43Å; I81-L113 HydrophobicContact CG2-CD2 4.05Å; I81-V116 HydrophobicContact CD1-CB 4.4Å; I81-V116 HydrophobicContact CD1-CG1 3.87Å; I81-V116 HydrophobicContact CD1-CG2 3.59Å
82S96.6Very high95.6Very high44 Ų4445.1 Ų45.131%0.30824%0.244SC..Hα-helixtrans-60.2-42.1179.8-62.50000112S78 L79 Q85 I86S78-S82 PolarHBondContact O-N 3.35Å; S78-S82 VanDerWaalsContact O-N 3.08Å; S78-S82 PolarHBondContact O-OG 3.08Å; L79-S82 PolarHBondContact O-N 2.96Å; S82-Q85 PolarHBondContact O-N 2.85Å; S82-I86 WeakPolarHBondContact O-CD1 3.39Å; S82-I86 VanDerWaalsContact O-CG1 3.27Å; S82-I86 WeakPolarHBondContact O-CG1 3.27Å; S82-I86 PolarHBondContact O-N 3.06Å
83A96.3Very high95.4Very high0 Ų046.6 Ų46.60%026%0.258CS..Hα-helixtrans-60-50.5174.400000112.1L40 I43 V71 L79 A80 I81 Q85 I86 L87L40-A83 HydrophobicContact CD2-CB 4.1Å; I43-A83 HydrophobicContact CD1-CB 3.52Å; I43-A83 HydrophobicContact CG2-CB 4.41Å; V71-A83 HydrophobicContact CG1-CB 3.68Å; V71-A83 HydrophobicContact CG2-CB 4.02Å; L79-A83 WeakPolarHBondContact O-CB 3.28Å; L79-A83 PolarHBondContact O-N 2.96Å; A80-A83 PolarHBondContact O-N 2.92Å; I81-A83 VanDerWaalsContact C-N 3.32Å; I81-A83 PolarHBondContact O-N 3.33Å; A83-Q85 VanDerWaalsContact C-N 3.32Å; A83-Q85 PolarHBondContact O-N 3.42Å; A83-I86 WeakPolarHBondContact O-CB 3.35Å; A83-I86 PolarHBondContact O-N 3.32Å; A83-I86 VanDerWaalsContact O-N 3.16Å; A83-L87 WeakPolarHBondContact O-CD1 3.44Å; A83-L87 PolarHBondContact O-N 3.29Å
84L98Very high95.1Very high1 Ų144 Ų441%0.00524%0.244CC..Hα-helixtrans-62.2-37.3179.2-71.3168.5000112.2V71 A80 I81 L87 L88 L105 L109 R112V71-L84 HydrophobicContact CB-CD2 4.4Å; V71-L84 HydrophobicContact CG1-CD1 4.42Å; V71-L84 HydrophobicContact CG1-CD2 4Å; V71-L84 HydrophobicContact CG1-CG 3.74Å; A80-L84 WeakPolarHBondContact O-CB 3.49Å; A80-L84 VanDerWaalsContact O-CG 3.25Å; A80-L84 WeakPolarHBondContact O-CG 3.44Å; A80-L84 PolarHBondContact O-N 3.48Å; I81-L84 PolarHBondContact O-N 3.25Å; L84-L87 PolarHBondContact O-N 3.36Å; L84-L88 WeakPolarHBondContact O-CB 3.45Å; L84-L88 PolarHBondContact O-N 3.49Å; L84-L105 HydrophobicContact CD2-CD2 3.81Å; L84-L109 HydrophobicContact CB-CB 4.18Å; L84-L109 HydrophobicContact CB-CD1 4.05Å; L84-L109 HydrophobicContact CD1-CB 4.24Å; L84-R112 HydrophobicContact CD1-CG 4Å
85Q97.6Very high94.7Very high71 Ų7148.1 Ų48.133%0.33227%0.265SS..Hα-helixtrans-64.4-39.4174.3-73.9171.1-24.900112I81 S82 A83 L88 S89 L109 E121I81-Q85 HydrophobicContact CG2-CG 4.38Å; I81-Q85 WeakPolarHBondContact O-CB 3.46Å; I81-Q85 WeakPolarHBondContact O-CG 3.33Å; I81-Q85 PolarHBondContact O-N 3.06Å; S82-Q85 PolarHBondContact O-N 2.85Å; A83-Q85 VanDerWaalsContact C-N 3.32Å; A83-Q85 PolarHBondContact O-N 3.42Å; Q85-L88 PolarHBondContact O-N 2.88Å; Q85-S89 WeakPolarHBondContact O-CB 3.4Å; Q85-S89 PolarHBondContact O-N 2.81Å; Q85-S89 PolarHBondContact O-OG 3.34Å; Q85-L109 HydrophobicContact CG-CD1 4.04Å; Q85-L109 HydrophobicContact CG-CD2 4Å; Q85-E121 PolarHBondContact NE2-OE1 2.93Å
86I96.2Very high94.5Very high46 Ų4649.6 Ų49.624%0.23627%0.267CS..Hα-helixtrans-62.3-47.8173.7-67.7160.6000110.4L40 V47 S82 A83 S89 R90L40-I86 HydrophobicContact CD2-CD1 4.36Å; V47-I86 HydrophobicContact CG1-CG2 4.47Å; S82-I86 WeakPolarHBondContact O-CD1 3.39Å; S82-I86 VanDerWaalsContact O-CG1 3.27Å; S82-I86 WeakPolarHBondContact O-CG1 3.27Å; S82-I86 PolarHBondContact O-N 3.06Å; A83-I86 WeakPolarHBondContact O-CB 3.35Å; A83-I86 PolarHBondContact O-N 3.32Å; A83-I86 VanDerWaalsContact O-N 3.16Å; I86-S89 PolarHBondContact O-OG 2.95Å; I86-R90 PolarHBondContact O-N 3.13Å
87L96.5Very high94.3Very high0 Ų047.2 Ų47.20%026%0.258CS..Hα-helixtrans-59.8-50176.4-87.274.2000111.4I43 V47 L67 I68 A83 L84 R90 M91 L105I43-L87 HydrophobicContact CG2-CD1 3.46Å; I43-L87 VanDerWaalsContact CG2-CD1 3.46Å; V47-L87 HydrophobicContact CG2-CD1 3.51Å; V47-L87 HydrophobicContact CG2-CG 3.67Å; L67-L87 HydrophobicContact CB-CD2 4.28Å; L67-L87 HydrophobicContact CD2-CD1 3.84Å; L67-L87 HydrophobicContact CD2-CD2 3.74Å; L67-L87 HydrophobicContact CD2-CG 3.84Å; L67-L87 HydrophobicContact CG-CD1 4.3Å; L67-L87 HydrophobicContact CG-CD2 3.83Å; L67-L87 HydrophobicContact CG-CG 4.41Å; I68-L87 HydrophobicContact CG1-CD2 4.1Å; A83-L87 WeakPolarHBondContact O-CD1 3.44Å; A83-L87 PolarHBondContact O-N 3.29Å; L84-L87 PolarHBondContact O-N 3.36Å; L87-R90 PolarHBondContact O-N 3.02Å; L87-M91 WeakPolarHBondContact O-CG 3.2Å; L87-M91 PolarHBondContact O-N 2.99Å; L87-L105 HydrophobicContact CB-CD1 4.23Å; L87-L105 HydrophobicContact CB-CD2 3.6Å; L87-L105 HydrophobicContact CD2-CD2 3.73Å; L87-L105 HydrophobicContact CG-CD2 4.35Å
88L97.1Very high94.1Very high25 Ų2544.9 Ų44.913%0.13125%0.245CC..Hα-helixtrans-59.8-50.5-177.2-178.164.6000111L84 Q85 R90 M91 Q92 L102 L105 R106 L109L84-L88 WeakPolarHBondContact O-CB 3.45Å; L84-L88 PolarHBondContact O-N 3.49Å; Q85-L88 PolarHBondContact O-N 2.88Å; L88-R90 VanDerWaalsContact C-N 3.29Å; L88-R90 PolarHBondContact O-N 3.36Å; L88-M91 PolarHBondContact O-N 2.87Å; L88-Q92 WeakPolarHBondContact O-CB 3.21Å; L88-Q92 PolarHBondContact O-N 3.14Å; L88-L102 HydrophobicContact CD1-CD2 3.7Å; L88-L105 HydrophobicContact CD1-CB 4.06Å; L88-R106 HydrophobicContact CD1-CG 4.03Å; L88-R106 HydrophobicContact CD2-CG 4.39Å; L88-L109 HydrophobicContact CD2-CD2 3.8Å
89S95.5Very high94Very high84 Ų8443.8 Ų43.859%0.58723%0.233SC*.Hα-helixtrans-58.6-40.1179.363.10000112.3Q85 I86Q85-S89 WeakPolarHBondContact O-CB 3.4Å; Q85-S89 PolarHBondContact O-N 2.81Å; Q85-S89 PolarHBondContact O-OG 3.34Å; I86-S89 PolarHBondContact O-OG 2.95Å
90R94.9Very high93.9Very high97 Ų9744.7 Ų44.737%0.36624%0.242SC..Hα-helixtrans-69.9-49.4178.3-171.269.6174.9155.92.8112.3V47 S51 I86 L87 L88 Q92 S93V47-R90 HydrophobicContact CG1-CB 3.35Å; V47-R90 HydrophobicContact CG1-CG 3.48Å; V47-R90 VanDerWaalsContact CG1-CG 3.48Å; S51-R90 PolarHBondContact OG-NE 3.39Å; S51-R90 PolarHBondContact OG-NH2 3.24Å; S51-R90 VanDerWaalsContact OG-NH2 3.1Å; I86-R90 PolarHBondContact O-N 3.13Å; L87-R90 PolarHBondContact O-N 3.02Å; L88-R90 VanDerWaalsContact C-N 3.29Å; L88-R90 PolarHBondContact O-N 3.36Å; R90-Q92 VanDerWaalsContact C-N 3.3Å; R90-Q92 PolarHBondContact O-N 3.34Å; R90-S93 WeakPolarHBondContact O-CB 3.23Å; R90-S93 PolarHBondContact O-N 2.86Å; R90-S93 PolarHBondContact O-OG 2.92Å
91M94.1Very high93.8Very high2 Ų245.1 Ų45.11%0.0124%0.244CC..Hα-helixtrans-70.3-29-176.4-62.8-55.9153.500112.2V47 I50 L87 L88 S93 R94 F98 L102 L105V47-M91 HydrophobicContact CG1-CE 4.37Å; I50-M91 HydrophobicContact CD1-CE 3.88Å; I50-M91 HydrophobicContact CG1-CE 4.01Å; L87-M91 WeakPolarHBondContact O-CG 3.2Å; L87-M91 PolarHBondContact O-N 2.99Å; L88-M91 PolarHBondContact O-N 2.87Å; M91-S93 PolarHBondContact O-N 3.34Å; M91-R94 CarbonylContact O-C 3.5Å; M91-R94 PolarHBondContact O-N 2.83Å; M91-F98 HydrophobicContact CB-CB 4.32Å; M91-F98 HydrophobicContact CB-CG 4.45Å; M91-F98 HydrophobicContact SD-CD1 3.95Å; M91-F98 HydrophobicContact SD-CD2 4.29Å; M91-F98 HydrophobicContact SD-CE1 3.89Å; M91-F98 HydrophobicContact SD-CE2 4.25Å; M91-F98 HydrophobicContact SD-CG 4.15Å; M91-F98 HydrophobicContact SD-CZ 4.05Å; M91-L102 HydrophobicContact CB-CD2 3.77Å; M91-L102 HydrophobicContact CB-CG 4.46Å; M91-L105 HydrophobicContact CB-CD1 4.33Å; M91-L105 HydrophobicContact CG-CD1 4.29Å
92Q93.5Very high93.7Very high78 Ų7844.5 Ų44.536%0.36424%0.241SC..Hα-helixtrans-60.7-29.8178.5-175.767.421.700112.1L88 R90 R94 N95 L102L88-Q92 WeakPolarHBondContact O-CB 3.21Å; L88-Q92 PolarHBondContact O-N 3.14Å; R90-Q92 VanDerWaalsContact C-N 3.3Å; R90-Q92 PolarHBondContact O-N 3.34Å; Q92-R94 PolarHBondContact O-N 3.34Å; Q92-R94 VanDerWaalsContact O-N 3.09Å; Q92-N95 PolarHBondContact O-N 3.46Å; Q92-L102 HydrophobicContact CB-CD2 4.29Å
93S90.4Very high93.7Very high84 Ų8442.9 Ų42.959%0.58723%0.229SC*.THydrogen-bonded Turntrans-59.7-19.8175.5700000113.8R90 M91R90-S93 WeakPolarHBondContact O-CB 3.23Å; R90-S93 PolarHBondContact O-N 2.86Å; R90-S93 PolarHBondContact O-OG 2.92Å; M91-S93 PolarHBondContact O-N 3.34Å
94R89.4Confident93.7Very high71 Ų7145.8 Ų45.827%0.26824%0.243SC..THydrogen-bonded Turntrans-12644.7179.5-64177.766.5-177.34.2111M91 Q92 I96 A97 F98M91-R94 CarbonylContact O-C 3.5Å; M91-R94 PolarHBondContact O-N 2.83Å; Q92-R94 PolarHBondContact O-N 3.34Å; Q92-R94 VanDerWaalsContact O-N 3.09Å; R94-I96 PolarHBondContact O-N 3.06Å; R94-I96 VanDerWaalsContact O-N 3.15Å; R94-A97 HydrophobicContact CB-CB 4.36Å; R94-A97 WeakPolarHBondContact O-CA 3.13Å; R94-A97 WeakPolarHBondContact O-CB 3.32Å; R94-A97 PolarHBondContact O-N 3.37Å; R94-F98 HydrophobicContact CB-CD2 3.77Å; R94-F98 HydrophobicContact CB-CE2 3.93Å; R94-F98 PolarHBondContact O-N 2.9Å
95N86.8Confident93.7Very high86 Ų8645.8 Ų45.846%0.4624%0.242SC..G310 helixtrans-44.8-48.1-170.866.6-16.4000116.1Q92 A97 F98 E99 L102Q92-N95 PolarHBondContact O-N 3.46Å; N95-A97 VanDerWaalsContact C-N 3.25Å; N95-A97 PolarHBondContact O-N 2.86Å; N95-F98 CarbonylContact O-C 3.55Å; N95-F98 PolarHBondContact O-N 3.07Å; N95-F98 VanDerWaalsContact O-N 3.16Å; N95-E99 PolarHBondContact O-N 3.3Å; N95-L102 HydrophobicContact CB-CD1 4.03Å
96I88Confident93.7Very high117 Ų11743.1 Ų43.160%0.623%0.229SC*.G310 helixtrans-60.4-38.6179.7-62.2167.9000110.8R94R94-I96 PolarHBondContact O-N 3.06Å; R94-I96 VanDerWaalsContact O-N 3.15Å
97A89.5Confident93.8Very high21 Ų2142.3 Ų42.317%0.17423%0.226CC..G310 helixtrans-76.3-21.7-178.600000112.7V57 R61 R94 N95V57-A97 HydrophobicContact CG1-CB 4.05Å; R61-A97 PolarHBondContact NE-O 3.27Å; R61-A97 PolarHBondContact NH2-O 3.27Å; R94-A97 HydrophobicContact CB-CB 4.36Å; R94-A97 WeakPolarHBondContact O-CA 3.13Å; R94-A97 WeakPolarHBondContact O-CB 3.32Å; R94-A97 PolarHBondContact O-N 3.37Å; N95-A97 VanDerWaalsContact C-N 3.25Å; N95-A97 PolarHBondContact O-N 2.86Å
98F92.7Very high93.8Very high0 Ų042.7 Ų42.70%023%0.228CC..G310 helixtrans-12523.4-174-66.9-84.7000113.1A60 R61 M91 R94 N95 S100 Q101 L102A60-F98 HydrophobicContact CB-CE1 3.89Å; A60-F98 HydrophobicContact CB-CZ 3.75Å; R61-F98 HydrophobicContact CG-CD1 3.98Å; R61-F98 HydrophobicContact CG-CE1 4.03Å; M91-F98 HydrophobicContact CB-CB 4.32Å; M91-F98 HydrophobicContact CB-CG 4.45Å; M91-F98 HydrophobicContact SD-CD1 3.95Å; M91-F98 HydrophobicContact SD-CD2 4.29Å; M91-F98 HydrophobicContact SD-CE1 3.89Å; M91-F98 HydrophobicContact SD-CE2 4.25Å; M91-F98 HydrophobicContact SD-CG 4.15Å; M91-F98 HydrophobicContact SD-CZ 4.05Å; R94-F98 HydrophobicContact CB-CD2 3.77Å; R94-F98 HydrophobicContact CB-CE2 3.93Å; R94-F98 PolarHBondContact O-N 2.9Å; N95-F98 CarbonylContact O-C 3.55Å; N95-F98 PolarHBondContact O-N 3.07Å; N95-F98 VanDerWaalsContact O-N 3.16Å; F98-S100 VanDerWaalsContact C-N 3.3Å; F98-S100 PolarHBondContact O-N 3.07Å; F98-Q101 HydrophobicContact CB-CB 4.29Å; F98-Q101 HydrophobicContact CD1-CB 4.44Å; F98-Q101 HydrophobicContact CD1-CG 4.28Å; F98-Q101 PolarHBondContact O-N 2.93Å; F98-L102 HydrophobicContact CB-CD1 4.41Å; F98-L102 HydrophobicContact CB-CG 4.24Å; F98-L102 WeakPolarHBondContact O-CB 3.45Å; F98-L102 VanDerWaalsContact O-CG 3.28Å; F98-L102 WeakPolarHBondContact O-CG 3.44Å; F98-L102 PolarHBondContact O-N 2.84Å
99E91.6Very high93.9Very high42 Ų4241.6 Ų41.620%0.19622%0.222CC..Hα-helixtrans-51.3-45.4-173.9-169.8-179.8-168.500112.8N95 L102 V103 R136N95-E99 PolarHBondContact O-N 3.3Å; E99-L102 PolarHBondContact O-N 3.3Å; E99-V103 WeakPolarHBondContact O-CG2 3.33Å; E99-V103 PolarHBondContact O-N 3.24Å; E99-V103 VanDerWaalsContact O-N 3.16Å; E99-R136 VanDerWaalsContact OE1-CB 3.3Å; E99-R136 WeakPolarHBondContact OE1-CB 3.28Å; E99-R136 PolarHBondContact OE1-N 2.94Å
100S92.5Very high94Very high52 Ų5237.6 Ų37.636%0.36419%0.194SC..Hα-helixtrans-66.4-44.6178.3-166.50000113F98 L102 V103 E104 R136F98-S100 VanDerWaalsContact C-N 3.3Å; F98-S100 PolarHBondContact O-N 3.07Å; S100-L102 VanDerWaalsContact C-N 3.29Å; S100-L102 PolarHBondContact O-N 3.43Å; S100-V103 PolarHBondContact O-N 2.89Å; S100-E104 PolarHBondContact O-N 3.37Å; S100-E104 VanDerWaalsContact O-N 3.15Å; S100-R136 PolarHBondContact OG-NH1 3.45Å; S100-R136 VanDerWaalsContact OG-NH1 3.08Å
101Q95.1Very high94.2Very high10 Ų1038 Ų385%0.04720%0.199CC..Hα-helixtrans-63-38.7178.3-7363.737.600111C64 D65 F98 V103 E104 L105C64-Q101 HydrophobicContact CB-CG 3.86Å; D65-Q101 WeakPolarHBondContact OD1-CG 3.48Å; D65-Q101 PolarHBondContact OD1-NE2 3.2Å; F98-Q101 HydrophobicContact CB-CB 4.29Å; F98-Q101 HydrophobicContact CD1-CB 4.44Å; F98-Q101 HydrophobicContact CD1-CG 4.28Å; F98-Q101 PolarHBondContact O-N 2.93Å; Q101-V103 VanDerWaalsContact C-N 3.34Å; Q101-V103 PolarHBondContact O-N 3.21Å; Q101-E104 PolarHBondContact O-N 3.45Å; Q101-L105 WeakPolarHBondContact O-CB 3.47Å; Q101-L105 VanDerWaalsContact O-CG 3.28Å; Q101-L105 WeakPolarHBondContact O-CG 3.36Å; Q101-L105 PolarHBondContact O-N 3.35Å
102L95.8Very high94.4Very high4 Ų439.7 Ų39.72%0.02121%0.205CC..Hα-helixtrans-66.1-36.9178.4-72172.7000112.3L88 M91 Q92 N95 F98 E99 S100 L105 R106L88-L102 HydrophobicContact CD1-CD2 3.7Å; M91-L102 HydrophobicContact CB-CD2 3.77Å; M91-L102 HydrophobicContact CB-CG 4.46Å; Q92-L102 HydrophobicContact CB-CD2 4.29Å; N95-L102 HydrophobicContact CB-CD1 4.03Å; F98-L102 HydrophobicContact CB-CD1 4.41Å; F98-L102 HydrophobicContact CB-CG 4.24Å; F98-L102 WeakPolarHBondContact O-CB 3.45Å; F98-L102 VanDerWaalsContact O-CG 3.28Å; F98-L102 WeakPolarHBondContact O-CG 3.44Å; F98-L102 PolarHBondContact O-N 2.84Å; E99-L102 PolarHBondContact O-N 3.3Å; S100-L102 VanDerWaalsContact C-N 3.29Å; S100-L102 PolarHBondContact O-N 3.43Å; L102-L105 HydrophobicContact CD2-CD1 4.4Å; L102-R106 WeakPolarHBondContact O-CB 3.22Å; L102-R106 VanDerWaalsContact O-CG 3.27Å; L102-R106 WeakPolarHBondContact O-CG 3.39Å; L102-R106 PolarHBondContact O-N 3.41Å
103V95.6Very high94.6Very high10 Ų1036.1 Ų36.16%0.06119%0.188CC..Hα-helixtrans-63.6-46.9172.81730000110.8E99 S100 Q101 R106 D107 I129 Y138 Y142E99-V103 WeakPolarHBondContact O-CG2 3.33Å; E99-V103 PolarHBondContact O-N 3.24Å; E99-V103 VanDerWaalsContact O-N 3.16Å; S100-V103 PolarHBondContact O-N 2.89Å; Q101-V103 VanDerWaalsContact C-N 3.34Å; Q101-V103 PolarHBondContact O-N 3.21Å; V103-R106 PolarHBondContact O-N 2.94Å; V103-D107 WeakPolarHBondContact O-CB 3.33Å; V103-D107 PolarHBondContact O-N 3.46Å; V103-I129 HydrophobicContact CG1-CD1 4.41Å; V103-I129 HydrophobicContact CG2-CG2 4.09Å; V103-Y138 HydrophobicContact CG2-CE1 4.36Å; V103-Y138 WeakPolarHBondContact CG2-OH 3.48Å; V103-Y142 WeakPolarHBondContact CG1-OH 3.43Å
104E96.2Very high95Very high61 Ų6135.3 Ų35.329%0.28518%0.175SC..Hα-helixtrans-65.9-38179.6-167.1178164.600112.7I68 S100 Q101 D107 S108I68-E104 HydrophobicContact CD1-CB 4.35Å; I68-E104 HydrophobicContact CD1-CG 4.43Å; I68-E104 HydrophobicContact CG2-CG 4.11Å; S100-E104 PolarHBondContact O-N 3.37Å; S100-E104 VanDerWaalsContact O-N 3.15Å; Q101-E104 PolarHBondContact O-N 3.45Å; E104-D107 PolarHBondContact O-N 3.06Å; E104-S108 VanDerWaalsContact O-CB 3.28Å; E104-S108 WeakPolarHBondContact O-CB 3.3Å; E104-S108 PolarHBondContact O-N 3.26Å; E104-S108 PolarHBondContact O-OG 2.68Å
105L97.7Very high95.4Very high0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-61.2-47.9172.8-80.5165.8000111.6I68 L84 L87 L88 M91 Q101 L102 S108 L109I68-L105 HydrophobicContact CD1-CD1 4.43Å; I68-L105 HydrophobicContact CD1-CD2 4.01Å; I68-L105 HydrophobicContact CD1-CG 3.71Å; I68-L105 HydrophobicContact CG1-CD2 3.61Å; I68-L105 HydrophobicContact CG1-CG 3.92Å; L84-L105 HydrophobicContact CD2-CD2 3.81Å; L87-L105 HydrophobicContact CB-CD1 4.23Å; L87-L105 HydrophobicContact CB-CD2 3.6Å; L87-L105 HydrophobicContact CD2-CD2 3.73Å; L87-L105 HydrophobicContact CG-CD2 4.35Å; L88-L105 HydrophobicContact CD1-CB 4.06Å; M91-L105 HydrophobicContact CB-CD1 4.33Å; M91-L105 HydrophobicContact CG-CD1 4.29Å; Q101-L105 WeakPolarHBondContact O-CB 3.47Å; Q101-L105 VanDerWaalsContact O-CG 3.28Å; Q101-L105 WeakPolarHBondContact O-CG 3.36Å; Q101-L105 PolarHBondContact O-N 3.35Å; L102-L105 HydrophobicContact CD2-CD1 4.4Å; L105-S108 PolarHBondContact O-N 2.87Å; L105-L109 WeakPolarHBondContact O-CB 3.5Å; L105-L109 PolarHBondContact O-N 2.84Å
106R98.1Very high95.9Very high16 Ų1634.4 Ų34.46%0.0619%0.187CC..Hα-helixtrans-63.6-43.4177.7-75.5177.9174.4107.25.4111.7L88 L102 V103 L109 S110 V125 D128 I129L88-R106 HydrophobicContact CD1-CG 4.03Å; L88-R106 HydrophobicContact CD2-CG 4.39Å; L102-R106 WeakPolarHBondContact O-CB 3.22Å; L102-R106 VanDerWaalsContact O-CG 3.27Å; L102-R106 WeakPolarHBondContact O-CG 3.39Å; L102-R106 PolarHBondContact O-N 3.41Å; V103-R106 PolarHBondContact O-N 2.94Å; R106-L109 PolarHBondContact O-N 2.87Å; R106-S110 WeakPolarHBondContact O-CB 3.37Å; R106-S110 PolarHBondContact O-N 2.7Å; R106-V125 HydrophobicContact CB-CG1 3.79Å; R106-V125 VanDerWaalsContact CD-O 3.24Å; R106-V125 WeakPolarHBondContact CD-O 3.38Å; R106-V125 HydrophobicContact CG-CG1 3.92Å; R106-V125 WeakPolarHBondContact CG-O 3.3Å; R106-V125 WeakPolarHBondContact O-CG1 3.45Å; R106-D128 VanDerWaalsContact NE-CB 3.32Å; R106-I129 HydrophobicContact CB-CD1 4.18Å; R106-I129 HydrophobicContact CB-CG1 4.08Å; R106-I129 HydrophobicContact CG-CG1 4.48Å
107D97.8Very high96.3Very high29 Ų2931.3 Ų31.316%0.15519%0.185CC..Hα-helixtrans-60.7-49177.4-177.153.6000111.8V103 E104 S110 K111 R149V103-D107 WeakPolarHBondContact O-CB 3.33Å; V103-D107 PolarHBondContact O-N 3.46Å; E104-D107 PolarHBondContact O-N 3.06Å; D107-S110 PolarHBondContact O-N 3.17Å; D107-K111 WeakPolarHBondContact O-CG 3.4Å; D107-K111 PolarHBondContact O-N 3.27Å; D107-K111 VanDerWaalsContact O-N 3.1Å; D107-K111 IonicContact OD1-NZ 2.85Å; D107-K111 WeakPolarHBondContact OD2-CE 3.24Å; D107-K111 IonicContact OD2-NZ 3.35Å; D107-K111 PolarHBondContact OD2-NZ 2.94Å; D107-R149 IonicContact OD1-CZ 2.61Å; D107-R149 IonicContact OD1-NH1 2.92Å; D107-R149 PolarHBondContact OD1-NH1 3.34Å; D107-R149 IonicContact OD1-NH2 3.01Å
108S98Very high96.7Very high8 Ų833.3 Ų33.36%0.05619%0.192CC..Hα-helixtrans-63.6-45.9178.3-61.50000111.7N72 E104 L105 S110 K111 R112N72-S108 PolarHBondContact ND2-OG 3.28Å; N72-S108 WeakPolarHBondContact OD1-CB 3.36Å; E104-S108 VanDerWaalsContact O-CB 3.28Å; E104-S108 WeakPolarHBondContact O-CB 3.3Å; E104-S108 PolarHBondContact O-N 3.26Å; E104-S108 PolarHBondContact O-OG 2.68Å; L105-S108 PolarHBondContact O-N 2.87Å; S108-S110 PolarHBondContact O-N 2.68Å; S108-K111 PolarHBondContact O-N 2.93Å; S108-R112 WeakPolarHBondContact O-CG 3.32Å; S108-R112 PolarHBondContact O-N 3.42Å; S108-R112 VanDerWaalsContact O-N 3.07Å
109L98.6Very high96.9Very high2 Ų234.4 Ų34.41%0.0120%0.198CC..Hα-helixtrans-62.4-44.9179175.958.3000111.1I81 L84 Q85 L88 L105 R106 K111 R112 L113 V125I81-L109 HydrophobicContact CB-CD1 4.35Å; I81-L109 HydrophobicContact CG1-CD1 4.36Å; I81-L109 HydrophobicContact CG2-CD1 3.96Å; L84-L109 HydrophobicContact CB-CB 4.18Å; L84-L109 HydrophobicContact CB-CD1 4.05Å; L84-L109 HydrophobicContact CD1-CB 4.24Å; Q85-L109 HydrophobicContact CG-CD1 4.04Å; Q85-L109 HydrophobicContact CG-CD2 4Å; L88-L109 HydrophobicContact CD2-CD2 3.8Å; L105-L109 WeakPolarHBondContact O-CB 3.5Å; L105-L109 PolarHBondContact O-N 2.84Å; R106-L109 PolarHBondContact O-N 2.87Å; L109-K111 PolarHBondContact O-N 3.36Å; L109-R112 PolarHBondContact O-N 3.32Å; L109-L113 HydrophobicContact CD1-CD1 3.95Å; L109-L113 HydrophobicContact CD1-CG 4.05Å; L109-L113 HydrophobicContact CG-CD1 3.8Å; L109-L113 HydrophobicContact CG-CG 4.38Å; L109-L113 WeakPolarHBondContact O-CB 3.3Å; L109-L113 WeakPolarHBondContact O-CG 3.29Å; L109-L113 PolarHBondContact O-N 2.71Å; L109-V125 HydrophobicContact CB-CG1 4.17Å; L109-V125 HydrophobicContact CD2-CG1 3.94Å; L109-V125 HydrophobicContact CD2-CG2 3.87Å; L109-V125 HydrophobicContact CG-CG1 4.11Å; L109-V125 HydrophobicContact CG-CG2 4.28Å
110S98.6Very high97.3Very high0 Ų038.4 Ų38.40%021%0.211CC..Hα-helixtrans-59.6-43.6176.9-179.20000112.3R106 D107 S108 R112 L113 E114 A122 L126 Y153R106-S110 WeakPolarHBondContact O-CB 3.37Å; R106-S110 PolarHBondContact O-N 2.7Å; D107-S110 PolarHBondContact O-N 3.17Å; S108-S110 PolarHBondContact O-N 2.68Å; S110-R112 VanDerWaalsContact C-N 3.34Å; S110-R112 PolarHBondContact O-N 3.04Å; S110-L113 PolarHBondContact O-N 2.89Å; S110-E114 PolarHBondContact O-N 3.14Å; S110-A122 PolarHBondContact OG-O 2.9Å; S110-L126 VanDerWaalsContact OG-CD1 3.31Å; S110-L126 WeakPolarHBondContact OG-CD1 2.98Å; S110-L126 VanDerWaalsContact OG-CG 3.24Å; S110-L126 WeakPolarHBondContact OG-CG 3.31Å; S110-Y153 WeakPolarHBondContact OG-CE2 3.43Å
111K98.3Very high97.5Very high106 Ų10639 Ų3946%0.46121%0.208SC..Hα-helixtrans-61.7-40.1175.6-72.8167.6177.4164.60112.5D107 S108 L109 A115D107-K111 WeakPolarHBondContact O-CG 3.4Å; D107-K111 PolarHBondContact O-N 3.27Å; D107-K111 VanDerWaalsContact O-N 3.1Å; D107-K111 IonicContact OD1-NZ 2.85Å; D107-K111 WeakPolarHBondContact OD2-CE 3.24Å; D107-K111 IonicContact OD2-NZ 3.35Å; D107-K111 PolarHBondContact OD2-NZ 2.94Å; S108-K111 PolarHBondContact O-N 2.93Å; L109-K111 PolarHBondContact O-N 3.36Å; K111-A115 PolarHBondContact O-N 3.22Å; K111-A115 VanDerWaalsContact O-N 3.1Å
112R97.9Very high97.7Very high37 Ų3738.5 Ų38.514%0.1421%0.206CC..Hα-helixtrans-69.3-40.1176.4-66.5-64.6-171.7153.46.7112.1N72 V74 N77 A80 I81 L84 S108 L109 S110 A115 V116N72-R112 VanDerWaalsContact C-NH2 3.29Å; N72-R112 PolarHBondContact O-NH2 3Å; V74-R112 PolarHBondContact O-NH1 2.93Å; V74-R112 VanDerWaalsContact O-NH1 3.12Å; V74-R112 PolarHBondContact O-NH2 2.78Å; N77-R112 WeakPolarHBondContact OD1-CD 3.46Å; N77-R112 PolarHBondContact OD1-NH1 3.3Å; A80-R112 HydrophobicContact CB-CG 4.37Å; I81-R112 HydrophobicContact CD1-CB 4.35Å; I81-R112 HydrophobicContact CG1-CB 3.68Å; L84-R112 HydrophobicContact CD1-CG 4Å; S108-R112 WeakPolarHBondContact O-CG 3.32Å; S108-R112 PolarHBondContact O-N 3.42Å; S108-R112 VanDerWaalsContact O-N 3.07Å; L109-R112 PolarHBondContact O-N 3.32Å; S110-R112 VanDerWaalsContact C-N 3.34Å; S110-R112 PolarHBondContact O-N 3.04Å; R112-A115 WeakPolarHBondContact O-CB 3.36Å; R112-A115 PolarHBondContact O-N 3.2Å; R112-V116 PolarHBondContact O-N 3.48Å
113L98.6Very high97.8Very high2 Ų238.3 Ų38.31%0.0121%0.205CC..Hα-helixtrans-63.3-40.2174.4-74166.5000111.9I81 L109 S110 A115 V116 G117 N118 E121 A122 V125I81-L113 HydrophobicContact CD1-CD2 4.05Å; I81-L113 HydrophobicContact CD1-CG 4.46Å; I81-L113 HydrophobicContact CG1-CD2 4.33Å; I81-L113 HydrophobicContact CG1-CG 4.43Å; I81-L113 HydrophobicContact CG2-CD2 4.05Å; L109-L113 HydrophobicContact CD1-CD1 3.95Å; L109-L113 HydrophobicContact CD1-CG 4.05Å; L109-L113 HydrophobicContact CG-CD1 3.8Å; L109-L113 HydrophobicContact CG-CG 4.38Å; L109-L113 WeakPolarHBondContact O-CB 3.3Å; L109-L113 WeakPolarHBondContact O-CG 3.29Å; L109-L113 PolarHBondContact O-N 2.71Å; S110-L113 PolarHBondContact O-N 2.89Å; L113-A115 VanDerWaalsContact C-N 3.34Å; L113-V116 WeakPolarHBondContact O-CG2 3.49Å; L113-V116 PolarHBondContact O-N 3.21Å; L113-G117 PolarHBondContact O-N 2.88Å; L113-N118 HydrophobicContact CD2-CB 4.09Å; L113-N118 PolarHBondContact O-N 2.99Å; L113-E121 HydrophobicContact CD1-CB 4.06Å; L113-E121 HydrophobicContact CD1-CG 3.74Å; L113-E121 HydrophobicContact CD2-CB 4.3Å; L113-E121 HydrophobicContact CD2-CG 4.25Å; L113-A122 HydrophobicContact CB-CB 3.74Å; L113-V125 HydrophobicContact CD1-CG2 3.93Å
114E98.1Very high97.9Very high68 Ų6841 Ų4132%0.31822%0.222SC..Hα-helixtrans-59.8-44.6171.9174.4172.3-154.900111.5S110 V116 G117 L119 Y153 K156S110-E114 PolarHBondContact O-N 3.14Å; E114-V116 PolarHBondContact O-N 3.05Å; E114-G117 PolarHBondContact O-N 3.21Å; E114-L119 HydrophobicContact CB-CD2 4.26Å; E114-L119 HydrophobicContact CG-CD2 4.01Å; E114-Y153 HydrophobicContact CB-CE1 4.29Å; E114-Y153 HydrophobicContact CG-CE1 4.07Å; E114-Y153 WeakPolarHBondContact OE1-CE1 3.29Å; E114-Y153 WeakPolarHBondContact OE2-CE1 3.43Å; E114-Y153 PolarHBondContact OE2-OH 3.1Å; E114-K156 IonicContact OE1-NZ 3.14Å; E114-K156 PolarHBondContact OE1-NZ 3.09Å; E114-K156 VanDerWaalsContact OE1-NZ 3.12Å
115A97.2Very high98Very high64 Ų6438.7 Ų38.753%0.52921%0.212SC..Hα-helixtrans-62.4-25.8-179.700000113.7K111 R112 L113K111-A115 PolarHBondContact O-N 3.22Å; K111-A115 VanDerWaalsContact O-N 3.1Å; R112-A115 WeakPolarHBondContact O-CB 3.36Å; R112-A115 PolarHBondContact O-N 3.2Å; L113-A115 VanDerWaalsContact C-N 3.34Å
116V97.2Very high98.1Very high73 Ų7338.7 Ų38.744%0.44221%0.212SC..THydrogen-bonded Turntrans-952.1173.7-57.50000113.5N77 I81 R112 L113 E114 N118N77-V116 HydrophobicContact CB-CG1 3.47Å; N77-V116 VanDerWaalsContact CB-CG1 3.47Å; I81-V116 HydrophobicContact CD1-CB 4.4Å; I81-V116 HydrophobicContact CD1-CG1 3.87Å; I81-V116 HydrophobicContact CD1-CG2 3.59Å; R112-V116 PolarHBondContact O-N 3.48Å; L113-V116 WeakPolarHBondContact O-CG2 3.49Å; L113-V116 PolarHBondContact O-N 3.21Å; E114-V116 PolarHBondContact O-N 3.05Å; V116-N118 VanDerWaalsContact C-N 3.34Å; V116-N118 HydrophobicContact CG2-CB 4.06Å
117G96.6Very high98Very high53 Ų5340.1 Ų40.155%0.54622%0.224SC..THydrogen-bonded Turntrans79.57.9179.700000115.2L113 E114 L119L113-G117 PolarHBondContact O-N 2.88Å; E114-G117 PolarHBondContact O-N 3.21Å; G117-L119 PolarHBondContact O-N 2.99Å
118N97.7Very high97.9Very high62 Ų6243.2 Ų43.233%0.33224%0.24SC..  trans-84.567.2176.8-169.9-3.1000111L113 V116 R120 E121 A122L113-N118 HydrophobicContact CD2-CB 4.09Å; L113-N118 PolarHBondContact O-N 2.99Å; V116-N118 VanDerWaalsContact C-N 3.34Å; V116-N118 HydrophobicContact CG2-CB 4.06Å; N118-R120 PolarHBondContact O-N 2.89Å; N118-E121 PolarHBondContact ND2-OE2 2.87Å; N118-E121 WeakPolarHBondContact OD1-CB 3.3Å; N118-E121 PolarHBondContact OD1-N 3.49Å; N118-A122 WeakPolarHBondContact O-CB 3.25Å; N118-A122 PolarHBondContact O-N 3.46Å
119L98.2Very high97.8Very high24 Ų2443.1 Ų43.113%0.12624%0.239CC..Hα-helixtrans-69.1-33.6-170.4-60.9-179.5000113.6E114 G117 A122 A123 Y153 K156 I157E114-L119 HydrophobicContact CB-CD2 4.26Å; E114-L119 HydrophobicContact CG-CD2 4.01Å; G117-L119 PolarHBondContact O-N 2.99Å; L119-A122 WeakPolarHBondContact O-CB 3.4Å; L119-A122 PolarHBondContact O-N 2.68Å; L119-A123 WeakPolarHBondContact O-CB 3.18Å; L119-A123 PolarHBondContact O-N 3.36Å; L119-Y153 HydrophobicContact CD2-CD1 4.07Å; L119-K156 HydrophobicContact CD1-CB 3.61Å; L119-K156 HydrophobicContact CD1-CD 3.82Å; L119-K156 HydrophobicContact CD1-CG 4.37Å; L119-I157 HydrophobicContact CB-CG2 3.81Å; L119-I157 HydrophobicContact CD1-CG2 3.81Å; L119-I157 HydrophobicContact CG-CG2 4.33Å
120R98.3Very high97.5Very high126 Ų12645 Ų4548%0.47525%0.251SS..Hα-helixtrans-63.3-49.5178-173.4175.9-73.2110.6-6.2110.6N118 A122 A123 T124 I157 E159N118-R120 PolarHBondContact O-N 2.89Å; R120-A122 VanDerWaalsContact C-N 3.32Å; R120-A122 PolarHBondContact O-N 3.28Å; R120-A123 WeakPolarHBondContact O-CB 3.27Å; R120-A123 PolarHBondContact O-N 2.92Å; R120-T124 PolarHBondContact O-N 3.48Å; R120-T124 PolarHBondContact O-OG1 3.11Å; R120-T124 VanDerWaalsContact O-OG1 3.06Å; R120-I157 HydrophobicContact CB-CD1 3.77Å; R120-I157 HydrophobicContact CG-CD1 4.34Å; R120-E159 IonicContact CZ-OE1 2.68Å; R120-E159 IonicContact CZ-OE2 3.55Å; R120-E159 VanDerWaalsContact NE-CD 3.26Å; R120-E159 IonicContact NE-OE1 2.65Å; R120-E159 PolarHBondContact NE-OE1 3.23Å; R120-E159 IonicContact NE-OE2 3.1Å; R120-E159 PolarHBondContact NE-OE2 3.13Å; R120-E159 VanDerWaalsContact NE-OE2 3.1Å; R120-E159 IonicContact NH2-OE1 2.62Å; R120-E159 PolarHBondContact NH2-OE1 2.93Å; R120-E159 IonicContact NH2-OE2 2.82Å
121E98.1Very high97.2Very high63 Ų6345.5 Ų45.529%0.29425%0.254SS..Hα-helixtrans-65-38.6176.9-165.8-177.4161.300111.3Q85 L113 N118 A123 T124 V125Q85-E121 PolarHBondContact NE2-OE1 2.93Å; L113-E121 HydrophobicContact CD1-CB 4.06Å; L113-E121 HydrophobicContact CD1-CG 3.74Å; L113-E121 HydrophobicContact CD2-CB 4.3Å; L113-E121 HydrophobicContact CD2-CG 4.25Å; N118-E121 PolarHBondContact ND2-OE2 2.87Å; N118-E121 WeakPolarHBondContact OD1-CB 3.3Å; N118-E121 PolarHBondContact OD1-N 3.49Å; E121-A123 VanDerWaalsContact C-N 3.26Å; E121-A123 PolarHBondContact O-N 3.09Å; E121-T124 PolarHBondContact O-N 3.11Å; E121-V125 HydrophobicContact CG-CG2 4.35Å; E121-V125 WeakPolarHBondContact O-CB 3.46Å; E121-V125 VanDerWaalsContact O-CG2 3.28Å; E121-V125 WeakPolarHBondContact O-CG2 3.47Å; E121-V125 PolarHBondContact O-N 2.75Å
122A98.6Very high96.8Very high0 Ų046 Ų460%026%0.258CS..Hα-helixtrans-57.8-39.5175.400000112.5S110 L113 N118 L119 R120 L126 Y153S110-A122 PolarHBondContact OG-O 2.9Å; L113-A122 HydrophobicContact CB-CB 3.74Å; N118-A122 WeakPolarHBondContact O-CB 3.25Å; N118-A122 PolarHBondContact O-N 3.46Å; L119-A122 WeakPolarHBondContact O-CB 3.4Å; L119-A122 PolarHBondContact O-N 2.68Å; R120-A122 VanDerWaalsContact C-N 3.32Å; R120-A122 PolarHBondContact O-N 3.28Å; A122-L126 WeakPolarHBondContact O-CG 3.28Å; A122-L126 PolarHBondContact O-N 3.29Å; A122-Y153 HydrophobicContact CB-CD2 3.91Å; A122-Y153 HydrophobicContact CB-CE2 3.86Å
123A98.5Very high96.2Very high0 Ų049.4 Ų49.40%029%0.288CS..Hα-helixtrans-68.9-46.8175.700000111.8L119 R120 E121 V125 L126 S127 I150 Y153 F154L119-A123 WeakPolarHBondContact O-CB 3.18Å; L119-A123 PolarHBondContact O-N 3.36Å; R120-A123 WeakPolarHBondContact O-CB 3.27Å; R120-A123 PolarHBondContact O-N 2.92Å; E121-A123 VanDerWaalsContact C-N 3.26Å; E121-A123 PolarHBondContact O-N 3.09Å; A123-V125 PolarHBondContact O-N 3.39Å; A123-L126 PolarHBondContact O-N 3.15Å; A123-S127 WeakPolarHBondContact O-CB 3.47Å; A123-S127 PolarHBondContact O-N 3.02Å; A123-I150 HydrophobicContact CB-CG2 4.18Å; A123-Y153 HydrophobicContact CB-CD2 4.16Å; A123-F154 HydrophobicContact CB-CD1 4.35Å; A123-F154 HydrophobicContact CB-CD2 4.16Å; A123-F154 HydrophobicContact CB-CE1 3.92Å; A123-F154 HydrophobicContact CB-CE2 3.72Å; A123-F154 HydrophobicContact CB-CG 4.45Å; A123-F154 HydrophobicContact CB-CZ 3.59Å
124T98.1Very high95.3Very high67 Ų6750.6 Ų50.641%0.41130%0.3SS..Hα-helixtrans-58-47.2177.3-54.40000111.5R120 E121 L126 S127 D128R120-T124 PolarHBondContact O-N 3.48Å; R120-T124 PolarHBondContact O-OG1 3.11Å; R120-T124 VanDerWaalsContact O-OG1 3.06Å; E121-T124 PolarHBondContact O-N 3.11Å; T124-L126 VanDerWaalsContact C-N 3.31Å; T124-L126 PolarHBondContact O-N 3.26Å; T124-S127 WeakPolarHBondContact O-CB 3.25Å; T124-S127 PolarHBondContact O-N 3.19Å; T124-S127 VanDerWaalsContact O-N 3.08Å; T124-S127 PolarHBondContact O-OG 2.81Å; T124-D128 PolarHBondContact O-N 3.46Å
125V98.1Very high94.6Very high13 Ų1354.8 Ų54.88%0.07932%0.32CS..Hα-helixtrans-59-40.3179.7168.60000111.9R106 L109 L113 E121 A123R106-V125 HydrophobicContact CB-CG1 3.79Å; R106-V125 VanDerWaalsContact CD-O 3.24Å; R106-V125 WeakPolarHBondContact CD-O 3.38Å; R106-V125 HydrophobicContact CG-CG1 3.92Å; R106-V125 WeakPolarHBondContact CG-O 3.3Å; R106-V125 WeakPolarHBondContact O-CG1 3.45Å; L109-V125 HydrophobicContact CB-CG1 4.17Å; L109-V125 HydrophobicContact CD2-CG1 3.94Å; L109-V125 HydrophobicContact CD2-CG2 3.87Å; L109-V125 HydrophobicContact CG-CG1 4.11Å; L109-V125 HydrophobicContact CG-CG2 4.28Å; L113-V125 HydrophobicContact CD1-CG2 3.93Å; E121-V125 HydrophobicContact CG-CG2 4.35Å; E121-V125 WeakPolarHBondContact O-CB 3.46Å; E121-V125 VanDerWaalsContact O-CG2 3.28Å; E121-V125 WeakPolarHBondContact O-CG2 3.47Å; E121-V125 PolarHBondContact O-N 2.75Å; A123-V125 PolarHBondContact O-N 3.39Å
126L98.3Very high94.1Very high0 Ų056.6 Ų56.60%031%0.313CS..Hα-helixtrans-73-34.5175.6-69.5-178.8000112.7S110 A122 A123 T124 D128 I129 I146 R149 I150 Y153S110-L126 VanDerWaalsContact OG-CD1 3.31Å; S110-L126 WeakPolarHBondContact OG-CD1 2.98Å; S110-L126 VanDerWaalsContact OG-CG 3.24Å; S110-L126 WeakPolarHBondContact OG-CG 3.31Å; A122-L126 WeakPolarHBondContact O-CG 3.28Å; A122-L126 PolarHBondContact O-N 3.29Å; A123-L126 PolarHBondContact O-N 3.15Å; T124-L126 VanDerWaalsContact C-N 3.31Å; T124-L126 PolarHBondContact O-N 3.26Å; L126-D128 PolarHBondContact O-N 3.2Å; L126-I129 HydrophobicContact CD2-CD1 3.96Å; L126-I129 WeakPolarHBondContact O-CB 3.26Å; L126-I129 WeakPolarHBondContact O-CG1 3.44Å; L126-I129 PolarHBondContact O-N 3.09Å; L126-I146 HydrophobicContact CB-CG2 4.32Å; L126-I146 HydrophobicContact CD2-CD1 4.23Å; L126-R149 HydrophobicContact CD1-CB 3.92Å; L126-I150 HydrophobicContact CB-CD1 3.8Å; L126-I150 HydrophobicContact CB-CG1 3.58Å; L126-I150 HydrophobicContact CD1-CG1 4.11Å; L126-Y153 HydrophobicContact CD1-CE2 3.84Å
127S97Very high93.7Very high46 Ų4659.6 Ų59.632%0.32233%0.331SS..Hα-helixtrans-63.1-24.9179.977.50000113.2A123 T124 I129A123-S127 WeakPolarHBondContact O-CB 3.47Å; A123-S127 PolarHBondContact O-N 3.02Å; T124-S127 WeakPolarHBondContact O-CB 3.25Å; T124-S127 PolarHBondContact O-N 3.19Å; T124-S127 VanDerWaalsContact O-N 3.08Å; T124-S127 PolarHBondContact O-OG 2.81Å; S127-I129 PolarHBondContact O-N 2.93Å
128D95.5Very high93.6Very high93 Ų9357.9 Ų57.950%0.49731%0.308SS..THydrogen-bonded Turntrans-75.2-4.8175.7-75.1-17.5000113.9R106 T124 L126 P130R106-D128 VanDerWaalsContact NE-CB 3.32Å; T124-D128 PolarHBondContact O-N 3.46Å; L126-D128 PolarHBondContact O-N 3.2Å; D128-P130 WeakPolarHBondContact O-CD 3.36Å
129I95.6Very high93.5Very high7 Ų757.3 Ų57.34%0.03632%0.317CS..SBendtrans-72.4119.1171.9-61.6172.8000108.3V103 R106 L126 S127 L131 I146V103-I129 HydrophobicContact CG1-CD1 4.41Å; V103-I129 HydrophobicContact CG2-CG2 4.09Å; R106-I129 HydrophobicContact CB-CD1 4.18Å; R106-I129 HydrophobicContact CB-CG1 4.08Å; R106-I129 HydrophobicContact CG-CG1 4.48Å; L126-I129 HydrophobicContact CD2-CD1 3.96Å; L126-I129 WeakPolarHBondContact O-CB 3.26Å; L126-I129 WeakPolarHBondContact O-CG1 3.44Å; L126-I129 PolarHBondContact O-N 3.09Å; S127-I129 PolarHBondContact O-N 2.93Å; I129-L131 VanDerWaalsContact C-N 3.28Å; I129-L131 HydrophobicContact CB-CG 4.49Å; I129-L131 HydrophobicContact CG2-CD2 3.7Å; I129-L131 HydrophobicContact CG2-CG 3.98Å; I129-L131 PolarHBondContact O-N 3.47Å; I129-I146 HydrophobicContact CD1-CD1 4.21Å; I129-I146 HydrophobicContact CD1-CG2 4.49Å
130P93Very high93.3Very high40 Ų4058.1 Ų58.126%0.2632%0.323SS..  trans-78.375.5-17733.3-36.1000111.1D128 E132 G134D128-P130 WeakPolarHBondContact O-CD 3.36Å; P130-E132 VanDerWaalsContact C-N 3.32Å; P130-E132 PolarHBondContact O-N 3.31Å; P130-G134 PolarHBondContact O-N 3.39Å
131L93.2Very high93.2Very high11 Ų1155.6 Ų55.66%0.05832%0.319CS..THydrogen-bonded Turntrans-67.6-28-175.2-67171.5000113.9I129 Y138 Y142 K143 I146 Y147I129-L131 VanDerWaalsContact C-N 3.28Å; I129-L131 HydrophobicContact CB-CG 4.49Å; I129-L131 HydrophobicContact CG2-CD2 3.7Å; I129-L131 HydrophobicContact CG2-CG 3.98Å; I129-L131 PolarHBondContact O-N 3.47Å; L131-Y138 HydrophobicContact CD2-CD1 4.49Å; L131-Y138 HydrophobicContact CD2-CD2 4.06Å; L131-Y138 HydrophobicContact CD2-CE2 4.42Å; L131-Y138 HydrophobicContact CD2-CG 4.1Å; L131-Y142 HydrophobicContact CD2-CD1 4.11Å; L131-Y142 HydrophobicContact CD2-CE1 3.88Å; L131-K143 HydrophobicContact CB-CG 4.44Å; L131-K143 HydrophobicContact CD2-CG 4.27Å; L131-K143 WeakPolarHBondContact O-CE 3.3Å; L131-K143 PolarHBondContact O-NZ 3.29Å; L131-I146 HydrophobicContact CD1-CB 4Å; L131-I146 HydrophobicContact CD1-CG2 3.78Å; L131-Y147 HydrophobicContact CD1-CD1 3.87Å; L131-Y147 HydrophobicContact CD1-CE1 3.39Å; L131-Y147 HydrophobicContact CD1-CE2 4.44Å
132E89.2Confident93.2Very high118 Ų11856.1 Ų56.155%0.55132%0.319SS*.THydrogen-bonded Turntrans-116.1-28.8-178.1-60.2-56.1151.100113.9P130 K143P130-E132 VanDerWaalsContact C-N 3.32Å; P130-E132 PolarHBondContact O-N 3.31Å; E132-K143 WeakPolarHBondContact OE1-CD 3.39Å; E132-K143 WeakPolarHBondContact OE1-CE 3.46Å; E132-K143 IonicContact OE1-NZ 3.5Å; E132-K143 PolarHBondContact OE1-NZ 2.8Å; E132-K143 IonicContact OE2-NZ 2.74Å; E132-K143 PolarHBondContact OE2-NZ 3.17Å
133S85.2Confident93.1Very high108 Ų10857.4 Ų57.476%0.75532%0.324SS*.THydrogen-bonded Turntrans-98.6-6-17654.40000113.9
134G79.7Confident93.1Very high26 Ų2657.4 Ų57.427%0.26832%0.324SS..SBendtrans-75.4163.3-17900000113.2P130 R136P130-G134 PolarHBondContact O-N 3.39Å; G134-R136 VanDerWaalsContact C-N 3.29Å
135Q82.9Confident93.1Very high156 Ų15656.1 Ų56.173%0.72932%0.315SS*.SBendtrans-73.8-29.4170.1-67.3-176.9-6.300110.9
136R86.7Confident93.1Very high102 Ų10255.5 Ų55.539%0.38531%0.311SS..SBendtrans-74.8126.6175.8-175.6169.2-179.4178.16.3111.2E99 S100 G134 Y138E99-R136 VanDerWaalsContact OE1-CB 3.3Å; E99-R136 WeakPolarHBondContact OE1-CB 3.28Å; E99-R136 PolarHBondContact OE1-N 2.94Å; S100-R136 PolarHBondContact OG-NH1 3.45Å; S100-R136 VanDerWaalsContact OG-NH1 3.08Å; G134-R136 VanDerWaalsContact C-N 3.29Å; R136-Y138 HydrophobicContact CB-CE2 4.04Å; R136-Y138 HydrophobicContact CG-CD1 4.46Å; R136-Y138 HydrophobicContact CG-CE1 3.97Å; R136-Y138 HydrophobicContact CG-CE2 4.1Å; R136-Y138 WeakPolarHBondContact O-CD2 3.42Å; R136-Y138 VanDerWaalsContact O-CE2 3.28Å; R136-Y138 WeakPolarHBondContact O-CE2 3.5Å
137V90.1Very high93.1Very high137 Ų13756.1 Ų56.183%0.8331%0.314SS*.PPolyproline II helixtrans-85.8124.8170.8-176.40000109.2
138Y94Very high93.1Very high16 Ų1653.9 Ų53.96%0.06330%0.298CS..PPolyproline II helixtrans-102.5140.9176-58.3-87.7000110.6V103 L131 R136 Y142 K143V103-Y138 HydrophobicContact CG2-CE1 4.36Å; V103-Y138 WeakPolarHBondContact CG2-OH 3.48Å; L131-Y138 HydrophobicContact CD2-CD1 4.49Å; L131-Y138 HydrophobicContact CD2-CD2 4.06Å; L131-Y138 HydrophobicContact CD2-CE2 4.42Å; L131-Y138 HydrophobicContact CD2-CG 4.1Å; R136-Y138 HydrophobicContact CB-CE2 4.04Å; R136-Y138 HydrophobicContact CG-CD1 4.46Å; R136-Y138 HydrophobicContact CG-CE1 3.97Å; R136-Y138 HydrophobicContact CG-CE2 4.1Å; R136-Y138 WeakPolarHBondContact O-CD2 3.42Å; R136-Y138 VanDerWaalsContact O-CE2 3.28Å; R136-Y138 WeakPolarHBondContact O-CE2 3.5Å; Y138-Y142 AromaticContact CD1-CD1 3.46Å; Y138-Y142 HydrophobicContact CD1-CD1 3.46Å; Y138-Y142 VanDerWaalsContact CD1-CD1 3.46Å; Y138-Y142 AromaticContact CD1-CE1 3.46Å; Y138-Y142 HydrophobicContact CD1-CE1 3.46Å; Y138-Y142 VanDerWaalsContact CD1-CE1 3.46Å; Y138-Y142 HydrophobicContact CD1-CG 4.49Å; Y138-Y142 HydrophobicContact CE1-CD1 4.31Å; Y138-Y142 AromaticContact CE1-CE1 3.85Å; Y138-Y142 HydrophobicContact CE1-CE1 3.85Å; Y138-Y142 AromaticContact CG-CD1 3.96Å; Y138-Y142 HydrophobicContact CG-CD1 3.96Å; Y138-Y142 HydrophobicContact CG-CE1 4.23Å; Y138-K143 WeakPolarHBondContact O-CE 3.47Å
139G94.4Very high93.3Very high51 Ų5150.3 Ų50.353%0.52628%0.278SS..PPolyproline II helixtrans-68.1152.917400000112.2N141 Y142 K143G139-N141 VanDerWaalsContact C-N 3.3Å; G139-N141 PolarHBondContact O-N 3.43Å; G139-Y142 PolarHBondContact O-N 3.45Å; G139-K143 PolarHBondContact O-N 2.98Å; G139-K143 VanDerWaalsContact O-N 3.09Å
140V95.5Very high93.4Very high40 Ų4050 Ų5024%0.24228%0.276CS..Hα-helixtrans-51-47-177.5177.50000112.2Y142 K143 L144 L173 E176 C177V140-Y142 VanDerWaalsContact C-N 3.3Å; V140-Y142 PolarHBondContact O-N 2.75Å; V140-K143 PolarHBondContact O-N 3.46Å; V140-L144 VanDerWaalsContact O-CB 3.28Å; V140-L144 WeakPolarHBondContact O-CB 3.4Å; V140-L144 PolarHBondContact O-N 2.88Å; V140-L173 HydrophobicContact CG1-CB 4.17Å; V140-E176 HydrophobicContact CG1-CB 4.22Å; V140-E176 HydrophobicContact CG2-CB 4.41Å; V140-C177 HydrophobicContact CG1-CB 4.41Å
141N96.6Very high93.7Very high73 Ų7348.1 Ų48.139%0.3926%0.264SS..Hα-helixtrans-60.3-38.8-179.4-68.4-12.8000112.8G139 D145 C177 L182G139-N141 VanDerWaalsContact C-N 3.3Å; G139-N141 PolarHBondContact O-N 3.43Å; N141-D145 WeakPolarHBondContact O-CB 3.41Å; N141-D145 PolarHBondContact O-N 3.35Å; N141-C177 PolarHBondContact OD1-SG 2.97Å; N141-L182 HydrophobicContact CB-CD1 3.85Å; N141-L182 WeakPolarHBondContact O-CD1 3.44Å
142Y96.4Very high94Very high74 Ų7449.8 Ų49.829%0.2927%0.271SS..Hα-helixtrans-71.2-46.5179.1-179.4-95.9000111.2V103 L131 Y138 G139 V140 L144 D145 I146V103-Y142 WeakPolarHBondContact CG1-OH 3.43Å; L131-Y142 HydrophobicContact CD2-CD1 4.11Å; L131-Y142 HydrophobicContact CD2-CE1 3.88Å; Y138-Y142 AromaticContact CD1-CD1 3.46Å; Y138-Y142 HydrophobicContact CD1-CD1 3.46Å; Y138-Y142 VanDerWaalsContact CD1-CD1 3.46Å; Y138-Y142 AromaticContact CD1-CE1 3.46Å; Y138-Y142 HydrophobicContact CD1-CE1 3.46Å; Y138-Y142 VanDerWaalsContact CD1-CE1 3.46Å; Y138-Y142 HydrophobicContact CD1-CG 4.49Å; Y138-Y142 HydrophobicContact CE1-CD1 4.31Å; Y138-Y142 AromaticContact CE1-CE1 3.85Å; Y138-Y142 HydrophobicContact CE1-CE1 3.85Å; Y138-Y142 AromaticContact CG-CD1 3.96Å; Y138-Y142 HydrophobicContact CG-CD1 3.96Å; Y138-Y142 HydrophobicContact CG-CE1 4.23Å; G139-Y142 PolarHBondContact O-N 3.45Å; V140-Y142 VanDerWaalsContact C-N 3.3Å; V140-Y142 PolarHBondContact O-N 2.75Å; Y142-L144 VanDerWaalsContact C-N 3.3Å; Y142-L144 PolarHBondContact O-N 2.96Å; Y142-D145 PolarHBondContact O-N 3.31Å; Y142-I146 HydrophobicContact CD1-CG1 4.31Å; Y142-I146 HydrophobicContact CE1-CG1 3.85Å; Y142-I146 HydrophobicContact CE2-CD1 4.33Å; Y142-I146 HydrophobicContact CE2-CG1 4.29Å; Y142-I146 WeakPolarHBondContact O-CG1 3.41Å; Y142-I146 PolarHBondContact O-N 2.87Å; Y142-I146 VanDerWaalsContact O-N 3.07Å
143K97.1Very high94.4Very high27 Ų2744.2 Ų44.212%0.11725%0.245CC..Hα-helixtrans-57.1-46.8175.9-67.3-176.1171.7-165.30111.2L131 E132 Y138 G139 V140 I146 Y147 L173L131-K143 HydrophobicContact CB-CG 4.44Å; L131-K143 HydrophobicContact CD2-CG 4.27Å; L131-K143 WeakPolarHBondContact O-CE 3.3Å; L131-K143 PolarHBondContact O-NZ 3.29Å; E132-K143 WeakPolarHBondContact OE1-CD 3.39Å; E132-K143 WeakPolarHBondContact OE1-CE 3.46Å; E132-K143 IonicContact OE1-NZ 3.5Å; E132-K143 PolarHBondContact OE1-NZ 2.8Å; E132-K143 IonicContact OE2-NZ 2.74Å; E132-K143 PolarHBondContact OE2-NZ 3.17Å; Y138-K143 WeakPolarHBondContact O-CE 3.47Å; G139-K143 PolarHBondContact O-N 2.98Å; G139-K143 VanDerWaalsContact O-N 3.09Å; V140-K143 PolarHBondContact O-N 3.46Å; K143-I146 PolarHBondContact O-N 3.42Å; K143-Y147 HydrophobicContact CB-CE2 4.47Å; K143-Y147 WeakPolarHBondContact O-CD2 3.43Å; K143-Y147 PolarHBondContact O-N 3.28Å; K143-L173 HydrophobicContact CB-CD1 3.56Å; K143-L173 HydrophobicContact CD-CD1 4.34Å
144L97.7Very high95Very high0 Ų039.6 Ų39.60%021%0.212CC..Hα-helixtrans-61.8-46.5179-175.561.1000111.4V140 Y142 I146 Y147 L148 A170 L173 C177 L182V140-L144 VanDerWaalsContact O-CB 3.28Å; V140-L144 WeakPolarHBondContact O-CB 3.4Å; V140-L144 PolarHBondContact O-N 2.88Å; Y142-L144 VanDerWaalsContact C-N 3.3Å; Y142-L144 PolarHBondContact O-N 2.96Å; L144-I146 VanDerWaalsContact C-N 3.34Å; L144-I146 PolarHBondContact O-N 3.48Å; L144-Y147 PolarHBondContact O-N 3.37Å; L144-L148 HydrophobicContact CD1-CD1 4.14Å; L144-L148 HydrophobicContact CD1-CG 4.09Å; L144-L148 HydrophobicContact CG-CD1 3.92Å; L144-L148 HydrophobicContact CG-CG 4.28Å; L144-L148 WeakPolarHBondContact O-CB 3.39Å; L144-L148 WeakPolarHBondContact O-CG 3.19Å; L144-L148 PolarHBondContact O-N 2.94Å; L144-A170 HydrophobicContact CD1-CB 3.56Å; L144-L173 HydrophobicContact CD1-CB 4.44Å; L144-C177 HydrophobicContact CD2-CB 3.74Å; L144-C177 VanDerWaalsContact CD2-SG 3.56Å; L144-L182 HydrophobicContact CD2-CB 3.94Å
145D98.1Very high95.9Very high41 Ų4139 Ų3922%0.21920%0.202CC..Hα-helixtrans-57.5-44.9177-178.364.3000112.5N141 Y142 L148 R149 L182 R185N141-D145 WeakPolarHBondContact O-CB 3.41Å; N141-D145 PolarHBondContact O-N 3.35Å; Y142-D145 PolarHBondContact O-N 3.31Å; D145-L148 PolarHBondContact O-N 3.48Å; D145-R149 WeakPolarHBondContact O-CG 3.25Å; D145-R149 PolarHBondContact O-N 3.27Å; D145-L182 HydrophobicContact CB-CD2 4.04Å; D145-R185 IonicContact OD1-CZ 2.68Å; D145-R185 IonicContact OD1-NH1 3.09Å; D145-R185 PolarHBondContact OD1-NH1 3.41Å; D145-R185 IonicContact OD1-NH2 3.65Å
146I98.3Very high96.5Very high0 Ų037.1 Ų37.10%019%0.192CC..Hα-helixtrans-64-47178.1-62.9-63.7000111.2L126 I129 L131 Y142 K143 L144 L148 R149 I150L126-I146 HydrophobicContact CB-CG2 4.32Å; L126-I146 HydrophobicContact CD2-CD1 4.23Å; I129-I146 HydrophobicContact CD1-CD1 4.21Å; I129-I146 HydrophobicContact CD1-CG2 4.49Å; L131-I146 HydrophobicContact CD1-CB 4Å; L131-I146 HydrophobicContact CD1-CG2 3.78Å; Y142-I146 HydrophobicContact CD1-CG1 4.31Å; Y142-I146 HydrophobicContact CE1-CG1 3.85Å; Y142-I146 HydrophobicContact CE2-CD1 4.33Å; Y142-I146 HydrophobicContact CE2-CG1 4.29Å; Y142-I146 WeakPolarHBondContact O-CG1 3.41Å; Y142-I146 PolarHBondContact O-N 2.87Å; Y142-I146 VanDerWaalsContact O-N 3.07Å; K143-I146 PolarHBondContact O-N 3.42Å; L144-I146 VanDerWaalsContact C-N 3.34Å; L144-I146 PolarHBondContact O-N 3.48Å; I146-L148 VanDerWaalsContact C-N 3.32Å; I146-L148 PolarHBondContact O-N 2.97Å; I146-R149 PolarHBondContact O-N 3.15Å; I146-I150 HydrophobicContact CG2-CD1 3.86Å; I146-I150 VanDerWaalsContact O-CG1 3.27Å; I146-I150 WeakPolarHBondContact O-CG1 3.38Å; I146-I150 PolarHBondContact O-N 3.04Å; I146-I150 VanDerWaalsContact O-N 3.08Å
147Y98.6Very high96.9Very high12 Ų1234.7 Ų34.75%0.04719%0.186CC..Hα-helixtrans-61.3-40.2177-67.8-31.7000112.6L131 K143 L144 I150 A151 F166 R169 L173L131-Y147 HydrophobicContact CD1-CD1 3.87Å; L131-Y147 HydrophobicContact CD1-CE1 3.39Å; L131-Y147 HydrophobicContact CD1-CE2 4.44Å; K143-Y147 HydrophobicContact CB-CE2 4.47Å; K143-Y147 WeakPolarHBondContact O-CD2 3.43Å; K143-Y147 PolarHBondContact O-N 3.28Å; L144-Y147 PolarHBondContact O-N 3.37Å; Y147-I150 PolarHBondContact O-N 3.38Å; Y147-A151 WeakPolarHBondContact O-CB 3.17Å; Y147-A151 PolarHBondContact O-N 3.42Å; Y147-F166 AromaticContact CD1-CD1 3.76Å; Y147-F166 HydrophobicContact CD1-CD1 3.76Å; Y147-F166 HydrophobicContact CD1-CE1 4.28Å; Y147-F166 HydrophobicContact CE1-CD1 4.35Å; Y147-R169 HydrophobicContact CD1-CB 4.3Å; Y147-R169 HydrophobicContact CD2-CB 3.79Å; Y147-R169 HydrophobicContact CE1-CB 4.27Å; Y147-R169 HydrophobicContact CE2-CB 3.78Å; Y147-R169 HydrophobicContact CG-CB 4.07Å; Y147-L173 HydrophobicContact CD2-CD1 3.87Å; Y147-L173 HydrophobicContact CE2-CD1 3.78Å
148L98.5Very high97Very high0 Ų032.8 Ų32.80%017%0.168CC..Hα-helixtrans-66.2-42.7177.7-69.5178.6000112.1L144 D145 I146 I150 A151 E152 A170 L182 R185 Y186 A189L144-L148 HydrophobicContact CD1-CD1 4.14Å; L144-L148 HydrophobicContact CD1-CG 4.09Å; L144-L148 HydrophobicContact CG-CD1 3.92Å; L144-L148 HydrophobicContact CG-CG 4.28Å; L144-L148 WeakPolarHBondContact O-CB 3.39Å; L144-L148 WeakPolarHBondContact O-CG 3.19Å; L144-L148 PolarHBondContact O-N 2.94Å; D145-L148 PolarHBondContact O-N 3.48Å; I146-L148 VanDerWaalsContact C-N 3.32Å; I146-L148 PolarHBondContact O-N 2.97Å; L148-I150 PolarHBondContact O-N 2.91Å; L148-A151 PolarHBondContact O-N 2.95Å; L148-E152 VanDerWaalsContact O-CB 3.3Å; L148-E152 WeakPolarHBondContact O-CB 3.32Å; L148-E152 WeakPolarHBondContact O-CG 3.23Å; L148-E152 PolarHBondContact O-N 2.83Å; L148-A170 HydrophobicContact CD2-CB 3.97Å; L148-L182 HydrophobicContact CD1-CD2 4.4Å; L148-R185 HydrophobicContact CD1-CB 3.92Å; L148-Y186 HydrophobicContact CD2-CD2 4.09Å; L148-Y186 HydrophobicContact CD2-CG 4.48Å; L148-A189 HydrophobicContact CD2-CB 4.35Å
149R98.6Very high97.1Very high18 Ų1834.6 Ų34.67%0.06818%0.177CC..Hα-helixtrans-60.7-44.9175.9-75174.459.6-160.3-2.2112.2D107 L126 D145 I146 E152 Y153D107-R149 IonicContact OD1-CZ 2.61Å; D107-R149 IonicContact OD1-NH1 2.92Å; D107-R149 PolarHBondContact OD1-NH1 3.34Å; D107-R149 IonicContact OD1-NH2 3.01Å; L126-R149 HydrophobicContact CD1-CB 3.92Å; D145-R149 WeakPolarHBondContact O-CG 3.25Å; D145-R149 PolarHBondContact O-N 3.27Å; I146-R149 PolarHBondContact O-N 3.15Å; R149-E152 PolarHBondContact O-N 3.21Å; R149-Y153 HydrophobicContact CB-CE2 4.35Å; R149-Y153 PolarHBondContact NE-OH 3.05Å; R149-Y153 PolarHBondContact NH2-OH 3.49Å; R149-Y153 WeakPolarHBondContact O-CD1 3.18Å; R149-Y153 VanDerWaalsContact O-CD2 3.31Å; R149-Y153 WeakPolarHBondContact O-CD2 3.26Å; R149-Y153 PolarHBondContact O-N 3.09Å
150I98.7Very high97.2Very high1 Ų134.7 Ų34.71%0.00516%0.164CC..Hα-helixtrans-60.2-48.9176.5-63.9165.5000110.4A123 L126 I146 Y147 L148 E152 Y153 F154 F166A123-I150 HydrophobicContact CB-CG2 4.18Å; L126-I150 HydrophobicContact CB-CD1 3.8Å; L126-I150 HydrophobicContact CB-CG1 3.58Å; L126-I150 HydrophobicContact CD1-CG1 4.11Å; I146-I150 HydrophobicContact CG2-CD1 3.86Å; I146-I150 VanDerWaalsContact O-CG1 3.27Å; I146-I150 WeakPolarHBondContact O-CG1 3.38Å; I146-I150 PolarHBondContact O-N 3.04Å; I146-I150 VanDerWaalsContact O-N 3.08Å; Y147-I150 PolarHBondContact O-N 3.38Å; L148-I150 PolarHBondContact O-N 2.91Å; I150-E152 PolarHBondContact O-N 2.78Å; I150-Y153 PolarHBondContact O-N 3.09Å; I150-F154 HydrophobicContact CG2-CD2 3.68Å; I150-F154 HydrophobicContact CG2-CE2 3.45Å; I150-F154 VanDerWaalsContact CG2-CE2 3.45Å; I150-F154 VanDerWaalsContact O-CD2 3.28Å; I150-F154 WeakPolarHBondContact O-CD2 3.37Å; I150-F154 PolarHBondContact O-N 2.96Å; I150-F154 VanDerWaalsContact O-N 3.08Å; I150-F166 HydrophobicContact CB-CB 4.43Å; I150-F166 HydrophobicContact CB-CD1 4.01Å; I150-F166 HydrophobicContact CB-CD2 4.37Å; I150-F166 HydrophobicContact CB-CE1 4.37Å; I150-F166 HydrophobicContact CB-CG 4.01Å; I150-F166 HydrophobicContact CD1-CD1 3.83Å; I150-F166 HydrophobicContact CD1-CE1 3.59Å; I150-F166 HydrophobicContact CD1-CZ 4.26Å; I150-F166 HydrophobicContact CG2-CB 4.23Å; I150-F166 HydrophobicContact CG2-CD1 3.72Å; I150-F166 HydrophobicContact CG2-CD2 3.35Å; I150-F166 HydrophobicContact CG2-CE1 3.85Å; I150-F166 HydrophobicContact CG2-CE2 3.51Å; I150-F166 HydrophobicContact CG2-CG 3.47Å; I150-F166 VanDerWaalsContact CG2-CG 3.47Å; I150-F166 HydrophobicContact CG2-CZ 3.75Å
151A98.5Very high97.3Very high0 Ų040.3 Ų40.30%019%0.188CC..Hα-helixtrans-59.3-47.4177.200000112.1Y147 L148 Y153 F154 L155 F166 V167Y147-A151 WeakPolarHBondContact O-CB 3.17Å; Y147-A151 PolarHBondContact O-N 3.42Å; L148-A151 PolarHBondContact O-N 2.95Å; A151-Y153 VanDerWaalsContact C-N 3.32Å; A151-Y153 PolarHBondContact O-N 2.78Å; A151-F154 PolarHBondContact O-N 3.11Å; A151-L155 WeakPolarHBondContact O-CB 3.4Å; A151-L155 WeakPolarHBondContact O-CG 3.48Å; A151-L155 PolarHBondContact O-N 3.47Å; A151-F166 HydrophobicContact CB-CB 4.06Å; A151-V167 HydrophobicContact CB-CG2 3.63Å
152E98.4Very high97.3Very high45 Ų4541.1 Ų41.121%0.2119%0.189CC..Hα-helixtrans-59.4-40.5178.4-74.2165.4-178.500111.8L148 R149 I150 L155 K156 R185L148-E152 VanDerWaalsContact O-CB 3.3Å; L148-E152 WeakPolarHBondContact O-CB 3.32Å; L148-E152 WeakPolarHBondContact O-CG 3.23Å; L148-E152 PolarHBondContact O-N 2.83Å; R149-E152 PolarHBondContact O-N 3.21Å; I150-E152 PolarHBondContact O-N 2.78Å; E152-L155 PolarHBondContact O-N 3.33Å; E152-K156 WeakPolarHBondContact O-CB 3.27Å; E152-K156 VanDerWaalsContact O-CG 3.27Å; E152-K156 WeakPolarHBondContact O-CG 3.48Å; E152-K156 PolarHBondContact O-N 2.96Å; E152-R185 VanDerWaalsContact CD-NH2 3.29Å; E152-R185 IonicContact OE1-CZ 3.07Å; E152-R185 IonicContact OE1-NE 4Å; E152-R185 PolarHBondContact OE1-NE 2.94Å; E152-R185 IonicContact OE1-NH2 3.51Å; E152-R185 PolarHBondContact OE1-NH2 3.34Å; E152-R185 VanDerWaalsContact OE1-NH2 3.1Å; E152-R185 IonicContact OE2-CZ 3.09Å; E152-R185 IonicContact OE2-NE 2.99Å; E152-R185 IonicContact OE2-NH2 3.86Å; E152-R185 PolarHBondContact OE2-NH2 3.47Å
153Y98.6Very high97.4Very high2 Ų237.6 Ų37.61%0.00818%0.176CC..Hα-helixtrans-63.4-48.1175.3-63.3-19.8000111.9S110 E114 L119 A122 A123 L126 R149 I150 A151 L155 K156 I157S110-Y153 WeakPolarHBondContact OG-CE2 3.43Å; E114-Y153 HydrophobicContact CB-CE1 4.29Å; E114-Y153 HydrophobicContact CG-CE1 4.07Å; E114-Y153 WeakPolarHBondContact OE1-CE1 3.29Å; E114-Y153 WeakPolarHBondContact OE2-CE1 3.43Å; E114-Y153 PolarHBondContact OE2-OH 3.1Å; L119-Y153 HydrophobicContact CD2-CD1 4.07Å; A122-Y153 HydrophobicContact CB-CD2 3.91Å; A122-Y153 HydrophobicContact CB-CE2 3.86Å; A123-Y153 HydrophobicContact CB-CD2 4.16Å; L126-Y153 HydrophobicContact CD1-CE2 3.84Å; R149-Y153 HydrophobicContact CB-CE2 4.35Å; R149-Y153 PolarHBondContact NE-OH 3.05Å; R149-Y153 PolarHBondContact NH2-OH 3.49Å; R149-Y153 WeakPolarHBondContact O-CD1 3.18Å; R149-Y153 VanDerWaalsContact O-CD2 3.31Å; R149-Y153 WeakPolarHBondContact O-CD2 3.26Å; R149-Y153 PolarHBondContact O-N 3.09Å; I150-Y153 PolarHBondContact O-N 3.09Å; A151-Y153 VanDerWaalsContact C-N 3.32Å; A151-Y153 PolarHBondContact O-N 2.78Å; Y153-L155 PolarHBondContact O-N 3.2Å; Y153-K156 PolarHBondContact O-N 2.74Å; Y153-I157 WeakPolarHBondContact O-CG1 3.5Å; Y153-I157 PolarHBondContact O-N 3.07Å
154F98.5Very high97.5Very high11 Ų1139 Ų395%0.04818%0.183CC..Hα-helixtrans-64.8-37.8176.9-73.7-53.4000112.9A123 I150 A151 I157 H158 E159 E162 A163 F166A123-F154 HydrophobicContact CB-CD1 4.35Å; A123-F154 HydrophobicContact CB-CD2 4.16Å; A123-F154 HydrophobicContact CB-CE1 3.92Å; A123-F154 HydrophobicContact CB-CE2 3.72Å; A123-F154 HydrophobicContact CB-CG 4.45Å; A123-F154 HydrophobicContact CB-CZ 3.59Å; I150-F154 HydrophobicContact CG2-CD2 3.68Å; I150-F154 HydrophobicContact CG2-CE2 3.45Å; I150-F154 VanDerWaalsContact CG2-CE2 3.45Å; I150-F154 VanDerWaalsContact O-CD2 3.28Å; I150-F154 WeakPolarHBondContact O-CD2 3.37Å; I150-F154 PolarHBondContact O-N 2.96Å; I150-F154 VanDerWaalsContact O-N 3.08Å; A151-F154 PolarHBondContact O-N 3.11Å; F154-I157 HydrophobicContact CD1-CD1 4.15Å; F154-I157 CarbonylContact O-C 3.53Å; F154-I157 WeakPolarHBondContact O-CG1 3.26Å; F154-I157 PolarHBondContact O-N 3.2Å; F154-H158 PolarHBondContact O-N 2.79Å; F154-E159 HydrophobicContact CB-CB 4.28Å; F154-E159 HydrophobicContact CD1-CB 3.9Å; F154-E159 WeakPolarHBondContact CD1-OE2 3.26Å; F154-E159 WeakPolarHBondContact CE1-OE2 3.5Å; F154-E159 HydrophobicContact CG-CB 4.47Å; F154-E159 PolarHBondContact O-N 3.27Å; F154-E162 HydrophobicContact CB-CB 4.35Å; F154-E162 HydrophobicContact CD1-CB 3.75Å; F154-E162 HydrophobicContact CD1-CG 4.43Å; F154-E162 HydrophobicContact CD2-CB 3.69Å; F154-E162 HydrophobicContact CE1-CB 3.85Å; F154-E162 HydrophobicContact CE1-CG 4.18Å; F154-E162 HydrophobicContact CE2-CB 3.77Å; F154-E162 HydrophobicContact CG-CB 3.69Å; F154-E162 HydrophobicContact CZ-CB 3.86Å; F154-E162 HydrophobicContact CZ-CG 4.27Å; F154-A163 HydrophobicContact CB-CB 3.77Å; F154-F166 HydrophobicContact CD2-CD2 4.22Å; F154-F166 HydrophobicContact CE2-CD2 4.05Å; F154-F166 AromaticContact CE2-CE2 3.89Å; F154-F166 HydrophobicContact CE2-CE2 3.89Å
155L97Very high97.5Very high12 Ų1242 Ų426%0.06320%0.201CC..Hα-helixtrans-62.5-42.9174.4-71.7169.7000111.7A151 E152 Y153 I157 H158 A163 A189 H192 L193 L196A151-L155 WeakPolarHBondContact O-CB 3.4Å; A151-L155 WeakPolarHBondContact O-CG 3.48Å; A151-L155 PolarHBondContact O-N 3.47Å; E152-L155 PolarHBondContact O-N 3.33Å; Y153-L155 PolarHBondContact O-N 3.2Å; L155-I157 PolarHBondContact O-N 3.2Å; L155-H158 PolarHBondContact O-N 2.94Å; L155-H158 VanDerWaalsContact O-N 3.15Å; L155-A163 HydrophobicContact CD2-CB 3.78Å; L155-A163 HydrophobicContact CG-CB 3.82Å; L155-A189 HydrophobicContact CD1-CB 4.1Å; L155-H192 HydrophobicContact CD1-CB 4.1Å; L155-H192 HydrophobicContact CD2-CB 4.5Å; L155-L193 HydrophobicContact CD2-CB 4.14Å; L155-L193 HydrophobicContact CD2-CD1 4.18Å; L155-L196 HydrophobicContact CD2-CD1 3.77Å
156K95.2Very high97.5Very high118 Ų11840.7 Ų40.751%0.51319%0.193SC..Hα-helixtrans-61.4-31177.8-78173.2-176.3178.10112.7E114 L119 E152 Y153E114-K156 IonicContact OE1-NZ 3.14Å; E114-K156 PolarHBondContact OE1-NZ 3.09Å; E114-K156 VanDerWaalsContact OE1-NZ 3.12Å; L119-K156 HydrophobicContact CD1-CB 3.61Å; L119-K156 HydrophobicContact CD1-CD 3.82Å; L119-K156 HydrophobicContact CD1-CG 4.37Å; E152-K156 WeakPolarHBondContact O-CB 3.27Å; E152-K156 VanDerWaalsContact O-CG 3.27Å; E152-K156 WeakPolarHBondContact O-CG 3.48Å; E152-K156 PolarHBondContact O-N 2.96Å; Y153-K156 PolarHBondContact O-N 2.74Å
157I95.4Very high97.5Very high50 Ų5040.7 Ų40.726%0.25619%0.193SC..THydrogen-bonded Turntrans-100.410.4177.265.6176.1000113.8L119 R120 Y153 F154 L155 E159L119-I157 HydrophobicContact CB-CG2 3.81Å; L119-I157 HydrophobicContact CD1-CG2 3.81Å; L119-I157 HydrophobicContact CG-CG2 4.33Å; R120-I157 HydrophobicContact CB-CD1 3.77Å; R120-I157 HydrophobicContact CG-CD1 4.34Å; Y153-I157 WeakPolarHBondContact O-CG1 3.5Å; Y153-I157 PolarHBondContact O-N 3.07Å; F154-I157 HydrophobicContact CD1-CD1 4.15Å; F154-I157 CarbonylContact O-C 3.53Å; F154-I157 WeakPolarHBondContact O-CG1 3.26Å; F154-I157 PolarHBondContact O-N 3.2Å; L155-I157 PolarHBondContact O-N 3.2Å; I157-E159 VanDerWaalsContact C-N 3.29Å; I157-E159 HydrophobicContact CD1-CG 4.07Å; I157-E159 WeakPolarHBondContact CD1-OE2 3.5Å; I157-E159 HydrophobicContact CG1-CB 4.31Å; I157-E159 HydrophobicContact CG1-CG 4.05Å; I157-E159 PolarHBondContact O-N 2.93Å
158H93.3Very high97.5Very high98 Ų9843.6 Ų43.645%0.45421%0.209SC..THydrogen-bonded Turntrans59.527.7179.1-58.5-71.1000115.7F154 L155 I160 L196 H291F154-H158 PolarHBondContact O-N 2.79Å; L155-H158 PolarHBondContact O-N 2.94Å; L155-H158 VanDerWaalsContact O-N 3.15Å; H158-I160 PolarHBondContact O-N 3.1Å; H158-I160 VanDerWaalsContact O-N 3.13Å; H158-L196 WeakPolarHBondContact ND1-CD2 3.38Å; H158-H291 AromaticContact CE1-CG 3.96Å
159E95.9Very high97.4Very high54 Ų5449 Ų4925%0.25223%0.23SC..  trans-85.178.7170.1-72.5-165.6145.500110.8R120 F154 I157 Q161 E162 A163R120-E159 IonicContact CZ-OE1 2.68Å; R120-E159 IonicContact CZ-OE2 3.55Å; R120-E159 VanDerWaalsContact NE-CD 3.26Å; R120-E159 IonicContact NE-OE1 2.65Å; R120-E159 PolarHBondContact NE-OE1 3.23Å; R120-E159 IonicContact NE-OE2 3.1Å; R120-E159 PolarHBondContact NE-OE2 3.13Å; R120-E159 VanDerWaalsContact NE-OE2 3.1Å; R120-E159 IonicContact NH2-OE1 2.62Å; R120-E159 PolarHBondContact NH2-OE1 2.93Å; R120-E159 IonicContact NH2-OE2 2.82Å; F154-E159 HydrophobicContact CB-CB 4.28Å; F154-E159 HydrophobicContact CD1-CB 3.9Å; F154-E159 WeakPolarHBondContact CD1-OE2 3.26Å; F154-E159 WeakPolarHBondContact CE1-OE2 3.5Å; F154-E159 HydrophobicContact CG-CB 4.47Å; F154-E159 PolarHBondContact O-N 3.27Å; I157-E159 VanDerWaalsContact C-N 3.29Å; I157-E159 HydrophobicContact CD1-CG 4.07Å; I157-E159 WeakPolarHBondContact CD1-OE2 3.5Å; I157-E159 HydrophobicContact CG1-CB 4.31Å; I157-E159 HydrophobicContact CG1-CG 4.05Å; I157-E159 PolarHBondContact O-N 2.93Å; E159-Q161 PolarHBondContact O-N 3.49Å; E159-E162 HydrophobicContact CB-CB 4.35Å; E159-E162 PolarHBondContact O-N 2.99Å; E159-A163 WeakPolarHBondContact O-CB 3.49Å; E159-A163 PolarHBondContact O-N 3.45Å
160I96.1Very high97.3Very high52 Ų5248.1 Ų48.127%0.26723%0.226SC..Hα-helixtrans-61.4-42.1-170.1-58.3171.6000112.5H158 A163 E164 L193 L196 K197H158-I160 PolarHBondContact O-N 3.1Å; H158-I160 VanDerWaalsContact O-N 3.13Å; I160-A163 PolarHBondContact O-N 3.19Å; I160-E164 WeakPolarHBondContact O-CB 3.16Å; I160-E164 PolarHBondContact O-N 2.92Å; I160-L193 HydrophobicContact CG2-CD1 4.08Å; I160-L196 HydrophobicContact CD1-CB 3.99Å; I160-L196 WeakPolarHBondContact CD1-O 3.37Å; I160-L196 HydrophobicContact CG1-CB 4.02Å; I160-K197 HydrophobicContact CG2-CD 4.07Å; I160-K197 HydrophobicContact CG2-CG 3.38Å
161Q97.3Very high97.3Very high158 Ų15849.8 Ų49.874%0.73824%0.238SC*.Hα-helixtrans-64.7-45.7-177.1-65.4-179.76.600111.2E159 E164 V165E159-Q161 PolarHBondContact O-N 3.49Å; Q161-E164 PolarHBondContact O-N 2.69Å; Q161-V165 PolarHBondContact O-N 2.74Å
162E97.8Very high97.1Very high90 Ų9056.2 Ų56.242%0.42127%0.272SS..Hα-helixtrans-66.9-44.7177.2-64-57.6144.100111.3F154 E159 E164 V165 F166F154-E162 HydrophobicContact CB-CB 4.35Å; F154-E162 HydrophobicContact CD1-CB 3.75Å; F154-E162 HydrophobicContact CD1-CG 4.43Å; F154-E162 HydrophobicContact CD2-CB 3.69Å; F154-E162 HydrophobicContact CE1-CB 3.85Å; F154-E162 HydrophobicContact CE1-CG 4.18Å; F154-E162 HydrophobicContact CE2-CB 3.77Å; F154-E162 HydrophobicContact CG-CB 3.69Å; F154-E162 HydrophobicContact CZ-CB 3.86Å; F154-E162 HydrophobicContact CZ-CG 4.27Å; E159-E162 HydrophobicContact CB-CB 4.35Å; E159-E162 PolarHBondContact O-N 2.99Å; E162-E164 VanDerWaalsContact C-N 3.27Å; E162-E164 PolarHBondContact O-N 2.87Å; E162-V165 PolarHBondContact O-N 3.41Å; E162-F166 WeakPolarHBondContact O-CD2 3.45Å
163A98.1Very high96.9Very high0 Ų055.1 Ų55.10%027%0.268CS..Hα-helixtrans-56-43175.100000112.1F154 L155 E159 I160 V165 F166 V167 L193F154-A163 HydrophobicContact CB-CB 3.77Å; L155-A163 HydrophobicContact CD2-CB 3.78Å; L155-A163 HydrophobicContact CG-CB 3.82Å; E159-A163 WeakPolarHBondContact O-CB 3.49Å; E159-A163 PolarHBondContact O-N 3.45Å; I160-A163 PolarHBondContact O-N 3.19Å; A163-V165 VanDerWaalsContact C-N 3.33Å; A163-V165 PolarHBondContact O-N 3.39Å; A163-F166 PolarHBondContact O-N 3.41Å; A163-V167 WeakPolarHBondContact O-CG2 3.49Å; A163-V167 PolarHBondContact O-N 3.19Å; A163-L193 HydrophobicContact CB-CD1 4.17Å
164E98.4Very high96.7Very high57 Ų5757.7 Ų57.727%0.26628%0.28SS..Hα-helixtrans-59.5-40.8-179.9-179.9161.3-151.600112.7I160 Q161 E162 F166 V167 N168 L193 K197I160-E164 WeakPolarHBondContact O-CB 3.16Å; I160-E164 PolarHBondContact O-N 2.92Å; Q161-E164 PolarHBondContact O-N 2.69Å; E162-E164 VanDerWaalsContact C-N 3.27Å; E162-E164 PolarHBondContact O-N 2.87Å; E164-F166 VanDerWaalsContact C-N 3.3Å; E164-F166 PolarHBondContact O-N 3.19Å; E164-V167 PolarHBondContact O-N 3.17Å; E164-N168 WeakPolarHBondContact CG-ND2 3.37Å; E164-N168 VanDerWaalsContact O-CB 3.31Å; E164-N168 WeakPolarHBondContact O-CB 3.43Å; E164-N168 PolarHBondContact O-N 3.12Å; E164-N168 PolarHBondContact O-ND2 3.2Å; E164-L193 HydrophobicContact CB-CD1 4Å; E164-L193 HydrophobicContact CB-CD2 4.05Å; E164-L193 HydrophobicContact CG-CD2 4.16Å; E164-K197 IonicContact OE1-NZ 3.1Å; E164-K197 PolarHBondContact OE1-NZ 3.16Å; E164-K197 IonicContact OE2-NZ 3.81Å; E164-K197 PolarHBondContact OE2-NZ 3.01Å
165V98.2Very high96.5Very high63 Ų6361.9 Ų61.938%0.38231%0.308SS..Hα-helixtrans-56.4-47.2177.5174.50000110.7Q161 E162 A163 N168 R169Q161-V165 PolarHBondContact O-N 2.74Å; E162-V165 PolarHBondContact O-N 3.41Å; A163-V165 VanDerWaalsContact C-N 3.33Å; A163-V165 PolarHBondContact O-N 3.39Å; V165-N168 PolarHBondContact O-N 3.39Å; V165-R169 WeakPolarHBondContact O-CG 3.39Å; V165-R169 PolarHBondContact O-N 2.82Å
166F98.3Very high96.3Very high14 Ų1467.8 Ų67.86%0.06134%0.335CS..Hα-helixtrans-79.6-32.1-175.5-70.2-82.1000113.4Y147 I150 A151 F154 E162 A163 E164 N168 R169 A170Y147-F166 AromaticContact CD1-CD1 3.76Å; Y147-F166 HydrophobicContact CD1-CD1 3.76Å; Y147-F166 HydrophobicContact CD1-CE1 4.28Å; Y147-F166 HydrophobicContact CE1-CD1 4.35Å; I150-F166 HydrophobicContact CB-CB 4.43Å; I150-F166 HydrophobicContact CB-CD1 4.01Å; I150-F166 HydrophobicContact CB-CD2 4.37Å; I150-F166 HydrophobicContact CB-CE1 4.37Å; I150-F166 HydrophobicContact CB-CG 4.01Å; I150-F166 HydrophobicContact CD1-CD1 3.83Å; I150-F166 HydrophobicContact CD1-CE1 3.59Å; I150-F166 HydrophobicContact CD1-CZ 4.26Å; I150-F166 HydrophobicContact CG2-CB 4.23Å; I150-F166 HydrophobicContact CG2-CD1 3.72Å; I150-F166 HydrophobicContact CG2-CD2 3.35Å; I150-F166 HydrophobicContact CG2-CE1 3.85Å; I150-F166 HydrophobicContact CG2-CE2 3.51Å; I150-F166 HydrophobicContact CG2-CG 3.47Å; I150-F166 VanDerWaalsContact CG2-CG 3.47Å; I150-F166 HydrophobicContact CG2-CZ 3.75Å; A151-F166 HydrophobicContact CB-CB 4.06Å; F154-F166 HydrophobicContact CD2-CD2 4.22Å; F154-F166 HydrophobicContact CE2-CD2 4.05Å; F154-F166 AromaticContact CE2-CE2 3.89Å; F154-F166 HydrophobicContact CE2-CE2 3.89Å; E162-F166 WeakPolarHBondContact O-CD2 3.45Å; A163-F166 PolarHBondContact O-N 3.41Å; E164-F166 VanDerWaalsContact C-N 3.3Å; E164-F166 PolarHBondContact O-N 3.19Å; F166-N168 VanDerWaalsContact C-N 3.32Å; F166-R169 PolarHBondContact O-N 3.33Å; F166-A170 WeakPolarHBondContact O-CB 3.49Å; F166-A170 PolarHBondContact O-N 3.33Å
167V98.2Very high96.2Very high0 Ų062.5 Ų62.50%031%0.313CS..Hα-helixtrans-64.9-38170.4174.20000111.2A151 A163 E164 A170 S171 Y186 Y190 L193A151-V167 HydrophobicContact CB-CG2 3.63Å; A163-V167 WeakPolarHBondContact O-CG2 3.49Å; A163-V167 PolarHBondContact O-N 3.19Å; E164-V167 PolarHBondContact O-N 3.17Å; V167-A170 WeakPolarHBondContact O-CB 3.4Å; V167-A170 PolarHBondContact O-N 2.95Å; V167-S171 PolarHBondContact O-N 3.36Å; V167-Y186 HydrophobicContact CG1-CE2 4.29Å; V167-Y190 HydrophobicContact CG1-CD2 3.64Å; V167-Y190 HydrophobicContact CG1-CG 4.4Å; V167-L193 HydrophobicContact CB-CD2 3.8Å; V167-L193 HydrophobicContact CG1-CD2 3.8Å; V167-L193 HydrophobicContact CG2-CD2 4.08Å
168N97.4Very high96Very high72 Ų7268.5 Ų68.539%0.38534%0.34SS..Hα-helixtrans-69.5-33.9174.9-72.8-25.5000112.3E164 V165 F166 S171E164-N168 WeakPolarHBondContact CG-ND2 3.37Å; E164-N168 VanDerWaalsContact O-CB 3.31Å; E164-N168 WeakPolarHBondContact O-CB 3.43Å; E164-N168 PolarHBondContact O-N 3.12Å; E164-N168 PolarHBondContact O-ND2 3.2Å; V165-N168 PolarHBondContact O-N 3.39Å; F166-N168 VanDerWaalsContact C-N 3.32Å; N168-S171 PolarHBondContact O-N 2.93Å; N168-S171 PolarHBondContact O-OG 3.43Å
169R97.5Very high96.1Very high113 Ų11366.4 Ų66.443%0.42633%0.332SS..Hα-helixtrans-65.9-41.4170-72.7179.2174.6-178.5-1.7111.7Y147 V165 F166 S171 L172Y147-R169 HydrophobicContact CD1-CB 4.3Å; Y147-R169 HydrophobicContact CD2-CB 3.79Å; Y147-R169 HydrophobicContact CE1-CB 4.27Å; Y147-R169 HydrophobicContact CE2-CB 3.78Å; Y147-R169 HydrophobicContact CG-CB 4.07Å; V165-R169 WeakPolarHBondContact O-CG 3.39Å; V165-R169 PolarHBondContact O-N 2.82Å; F166-R169 PolarHBondContact O-N 3.33Å; R169-S171 VanDerWaalsContact C-N 3.33Å; R169-S171 PolarHBondContact O-N 3.47Å; R169-L172 PolarHBondContact O-N 3Å
170A97.3Very high96Very high0 Ų068.5 Ų68.50%034%0.342CS..Hα-helixtrans-64.2-35.8175.600000112.6L144 L148 F166 V167 L172 L173 Q174 Y186L144-A170 HydrophobicContact CD1-CB 3.56Å; L148-A170 HydrophobicContact CD2-CB 3.97Å; F166-A170 WeakPolarHBondContact O-CB 3.49Å; F166-A170 PolarHBondContact O-N 3.33Å; V167-A170 WeakPolarHBondContact O-CB 3.4Å; V167-A170 PolarHBondContact O-N 2.95Å; A170-L172 VanDerWaalsContact C-N 3.28Å; A170-L172 PolarHBondContact O-N 2.98Å; A170-L173 PolarHBondContact O-N 3.21Å; A170-L173 VanDerWaalsContact O-N 3.11Å; A170-Q174 PolarHBondContact O-N 3.33Å; A170-Y186 HydrophobicContact CB-CD2 3.77Å; A170-Y186 HydrophobicContact CB-CE2 4.1Å
171S96.9Very high96Very high36 Ų3672.4 Ų72.425%0.25236%0.359SS..Hα-helixtrans-63.7-32.9179.774.90000112.9V167 N168 R169 L173 P175 Y186V167-S171 PolarHBondContact O-N 3.36Å; N168-S171 PolarHBondContact O-N 2.93Å; N168-S171 PolarHBondContact O-OG 3.43Å; R169-S171 VanDerWaalsContact C-N 3.33Å; R169-S171 PolarHBondContact O-N 3.47Å; S171-L173 VanDerWaalsContact C-N 3.26Å; S171-L173 PolarHBondContact O-N 3.31Å; S171-P175 WeakPolarHBondContact O-CD 3.43Å; S171-Y186 WeakPolarHBondContact CB-OH 3.38Å
172L95.5Very high96Very high136 Ų13665.5 Ų65.571%0.71233%0.327SS*.Hα-helixtrans-66.7-27.9175.7-62.9174.4000112.7R169 A170R169-L172 PolarHBondContact O-N 3Å; A170-L172 VanDerWaalsContact C-N 3.28Å; A170-L172 PolarHBondContact O-N 2.98Å
173L94.7Very high95.9Very high22 Ų2262 Ų6212%0.11531%0.312CS..Hα-helixtrans-94.8-20.3-177.9-62.3-176.9000113.3V140 K143 L144 Y147 A170 S171 P175 E176 C177V140-L173 HydrophobicContact CG1-CB 4.17Å; K143-L173 HydrophobicContact CB-CD1 3.56Å; K143-L173 HydrophobicContact CD-CD1 4.34Å; L144-L173 HydrophobicContact CD1-CB 4.44Å; Y147-L173 HydrophobicContact CD2-CD1 3.87Å; Y147-L173 HydrophobicContact CE2-CD1 3.78Å; A170-L173 PolarHBondContact O-N 3.21Å; A170-L173 VanDerWaalsContact O-N 3.11Å; S171-L173 VanDerWaalsContact C-N 3.26Å; S171-L173 PolarHBondContact O-N 3.31Å; L173-P175 VanDerWaalsContact C-CD 3.43Å; L173-E176 PolarHBondContact O-N 3.15Å; L173-C177 PolarHBondContact O-N 3.05Å
174Q93.3Very high95.8Very high56 Ų5662.4 Ų62.426%0.26231%0.314SS..G310 helixtrans-56.1-38.6-175.5178.8-95.2-6400114.6A170 E176 C177 L183 Y186A170-Q174 PolarHBondContact O-N 3.33Å; Q174-E176 VanDerWaalsContact C-N 3.26Å; Q174-E176 PolarHBondContact O-N 2.91Å; Q174-C177 PolarHBondContact O-N 3.37Å; Q174-L183 HydrophobicContact CG-CD2 3.65Å; Q174-L183 WeakPolarHBondContact O-CD2 3.33Å; Q174-Y186 HydrophobicContact CB-CD1 4.08Å; Q174-Y186 HydrophobicContact CB-CE1 4.02Å; Q174-Y186 HydrophobicContact CB-CG 4.45Å; Q174-Y186 HydrophobicContact CG-CD1 3.54Å; Q174-Y186 HydrophobicContact CG-CE1 3.64Å; Q174-Y186 HydrophobicContact CG-CG 4.28Å
175P94.2Very high95.8Very high99 Ų9963 Ų6364%0.64331%0.313SS*.G310 helixtrans-63.4-29179.3-25.135.9000114.2S171 L173S171-P175 WeakPolarHBondContact O-CD 3.43Å; L173-P175 VanDerWaalsContact C-CD 3.43Å
176E93Very high95.8Very high135 Ų13560.8 Ų60.863%0.63130%0.298SS*.G310 helixtrans-91-11.7-178.1-62.4-179.9-171.700112.8V140 L173 Q174 Q178V140-E176 HydrophobicContact CG1-CB 4.22Å; V140-E176 HydrophobicContact CG2-CB 4.41Å; L173-E176 PolarHBondContact O-N 3.15Å; Q174-E176 VanDerWaalsContact C-N 3.26Å; Q174-E176 PolarHBondContact O-N 2.91Å; E176-Q178 PolarHBondContact O-N 2.88Å
177C92.9Very high95.7Very high8 Ų861.5 Ų61.55%0.05430%0.301CS..  trans-78.7117.9-176.5-174.10000111.4V140 N141 L144 L173 Q174 L183V140-C177 HydrophobicContact CG1-CB 4.41Å; N141-C177 PolarHBondContact OD1-SG 2.97Å; L144-C177 HydrophobicContact CD2-CB 3.74Å; L144-C177 VanDerWaalsContact CD2-SG 3.56Å; L173-C177 PolarHBondContact O-N 3.05Å; Q174-C177 PolarHBondContact O-N 3.37Å; C177-L183 HydrophobicContact CB-CD2 3.91Å; C177-L183 HydrophobicContact CB-CG 4.43Å; C177-L183 WeakPolarHBondContact O-CD1 3.34Å
178Q91.8Very high95.7Very high175 Ų17563.4 Ų63.482%0.81831%0.311SS*.  trans-87.3-14.2175.2-62.6178.22.500113E176 Q180E176-Q178 PolarHBondContact O-N 2.88Å; Q178-Q180 PolarHBondContact O-N 3.19Å
179N95.3Very high95.8Very high55 Ų5560 Ų6029%0.29429%0.294SS..  trans-77.7105.4-178.1-176.3-24.4000110.5Q181 L182 L183N179-Q181 VanDerWaalsContact C-N 3.27Å; N179-Q181 PolarHBondContact O-N 3.5Å; N179-Q181 WeakPolarHBondContact OD1-CB 2.94Å; N179-Q181 PolarHBondContact OD1-N 3.3Å; N179-L182 HydrophobicContact CB-CB 4.21Å; N179-L182 HydrophobicContact CB-CD1 4.04Å; N179-L182 HydrophobicContact CB-CG 4.23Å; N179-L182 PolarHBondContact O-N 2.97Å; N179-L182 VanDerWaalsContact O-N 3.13Å; N179-L182 PolarHBondContact OD1-N 3.32Å; N179-L183 WeakPolarHBondContact O-CG 3.4Å; N179-L183 PolarHBondContact O-N 3Å
180Q94.3Very high95.8Very high97 Ų9757.5 Ų57.545%0.45328%0.284SS..Hα-helixtrans-57.9-34.8-179.1-66-62-41.500113.7Q178 L183 V184 W216Q178-Q180 PolarHBondContact O-N 3.19Å; Q180-L183 PolarHBondContact O-N 3.06Å; Q180-V184 WeakPolarHBondContact O-CG2 3.31Å; Q180-V184 PolarHBondContact O-N 2.85Å; Q180-W216 HydrophobicContact CB-CZ2 4.17Å
181Q95.7Very high95.9Very high134 Ų13457.5 Ų57.563%0.62628%0.284SS*.Hα-helixtrans-67.5-40.9178.1-66179-13.500111.5N179 V184 R185 W216N179-Q181 VanDerWaalsContact C-N 3.27Å; N179-Q181 PolarHBondContact O-N 3.5Å; N179-Q181 WeakPolarHBondContact OD1-CB 2.94Å; N179-Q181 PolarHBondContact OD1-N 3.3Å; Q181-V184 PolarHBondContact O-N 3.02Å; Q181-R185 WeakPolarHBondContact O-CG 3.41Å; Q181-R185 PolarHBondContact O-N 2.99Å; Q181-W216 HydrophobicContact CG-CH2 4.26Å
182L96.7Very high95.9Very high13 Ų1358.3 Ų58.37%0.06828%0.284CS..Hα-helixtrans-68.2-37.9175.1-70.4177.1000111.7N141 L144 D145 L148 N179 V184 R185 Y186N141-L182 HydrophobicContact CB-CD1 3.85Å; N141-L182 WeakPolarHBondContact O-CD1 3.44Å; L144-L182 HydrophobicContact CD2-CB 3.94Å; D145-L182 HydrophobicContact CB-CD2 4.04Å; L148-L182 HydrophobicContact CD1-CD2 4.4Å; N179-L182 HydrophobicContact CB-CB 4.21Å; N179-L182 HydrophobicContact CB-CD1 4.04Å; N179-L182 HydrophobicContact CB-CG 4.23Å; N179-L182 PolarHBondContact O-N 2.97Å; N179-L182 VanDerWaalsContact O-N 3.13Å; N179-L182 PolarHBondContact OD1-N 3.32Å; L182-V184 VanDerWaalsContact C-N 3.35Å; L182-V184 PolarHBondContact O-N 3.06Å; L182-R185 PolarHBondContact O-N 3.14Å; L182-Y186 WeakPolarHBondContact O-CB 3.13Å; L182-Y186 PolarHBondContact O-N 3.18Å
183L96.2Very high96Very high18 Ų1852 Ų529%0.09425%0.251CS..Hα-helixtrans-60.9-42.4174.4-70.1178.3000112.2Q174 C177 N179 Q180 Y186 K187Q174-L183 HydrophobicContact CG-CD2 3.65Å; Q174-L183 WeakPolarHBondContact O-CD2 3.33Å; C177-L183 HydrophobicContact CB-CD2 3.91Å; C177-L183 HydrophobicContact CB-CG 4.43Å; C177-L183 WeakPolarHBondContact O-CD1 3.34Å; N179-L183 WeakPolarHBondContact O-CG 3.4Å; N179-L183 PolarHBondContact O-N 3Å; Q180-L183 PolarHBondContact O-N 3.06Å; L183-Y186 PolarHBondContact O-N 3.13Å; L183-K187 WeakPolarHBondContact O-CG 3.3Å; L183-K187 PolarHBondContact O-N 3.22Å
184V96.5Very high96.2Very high7 Ų751.4 Ų51.44%0.04225%0.248CC..Hα-helixtrans-63.6-49.9174.9169.60000110.8Q180 Q181 L182 Y186 K187 I188 L210 F214 W216 L217Q180-V184 WeakPolarHBondContact O-CG2 3.31Å; Q180-V184 PolarHBondContact O-N 2.85Å; Q181-V184 PolarHBondContact O-N 3.02Å; L182-V184 VanDerWaalsContact C-N 3.35Å; L182-V184 PolarHBondContact O-N 3.06Å; V184-Y186 VanDerWaalsContact C-N 3.28Å; V184-Y186 PolarHBondContact O-N 3Å; V184-K187 PolarHBondContact O-N 2.92Å; V184-I188 HydrophobicContact CG1-CD1 3.58Å; V184-I188 HydrophobicContact CG1-CG1 4.18Å; V184-I188 VanDerWaalsContact O-CG1 3.31Å; V184-I188 WeakPolarHBondContact O-CG1 3.39Å; V184-I188 PolarHBondContact O-N 3.49Å; V184-L210 HydrophobicContact CG1-CD2 4.49Å; V184-F214 HydrophobicContact CG2-CB 4.24Å; V184-F214 HydrophobicContact CG2-CD1 3.23Å; V184-F214 HydrophobicContact CG2-CD2 3.89Å; V184-F214 HydrophobicContact CG2-CE1 3.38Å; V184-F214 HydrophobicContact CG2-CE2 4.02Å; V184-F214 HydrophobicContact CG2-CG 3.5Å; V184-F214 HydrophobicContact CG2-CZ 3.78Å; V184-W216 HydrophobicContact CB-CH2 4.37Å; V184-W216 HydrophobicContact CG2-CH2 3.79Å; V184-W216 HydrophobicContact CG2-CZ2 3.52Å; V184-L217 HydrophobicContact CG1-CD1 4.13Å; V184-L217 HydrophobicContact CG1-CD2 4.24Å
185R97.6Very high96.3Very high70 Ų7048.8 Ų48.826%0.26424%0.236SC..Hα-helixtrans-55.5-43.8177.3-77-178.764.1-158.52112.2D145 L148 E152 Q181 L182 I188 A189D145-R185 IonicContact OD1-CZ 2.68Å; D145-R185 IonicContact OD1-NH1 3.09Å; D145-R185 PolarHBondContact OD1-NH1 3.41Å; D145-R185 IonicContact OD1-NH2 3.65Å; L148-R185 HydrophobicContact CD1-CB 3.92Å; E152-R185 VanDerWaalsContact CD-NH2 3.29Å; E152-R185 IonicContact OE1-CZ 3.07Å; E152-R185 IonicContact OE1-NE 4Å; E152-R185 PolarHBondContact OE1-NE 2.94Å; E152-R185 IonicContact OE1-NH2 3.51Å; E152-R185 PolarHBondContact OE1-NH2 3.34Å; E152-R185 VanDerWaalsContact OE1-NH2 3.1Å; E152-R185 IonicContact OE2-CZ 3.09Å; E152-R185 IonicContact OE2-NE 2.99Å; E152-R185 IonicContact OE2-NH2 3.86Å; E152-R185 PolarHBondContact OE2-NH2 3.47Å; Q181-R185 WeakPolarHBondContact O-CG 3.41Å; Q181-R185 PolarHBondContact O-N 2.99Å; L182-R185 PolarHBondContact O-N 3.14Å; R185-I188 PolarHBondContact O-N 3.43Å; R185-A189 WeakPolarHBondContact O-CB 3.44Å; R185-A189 PolarHBondContact O-N 3.49Å
186Y98.1Very high96.3Very high17 Ų1745 Ų457%0.06721%0.21CC..Hα-helixtrans-58.2-49.7173.6166-100.4000112.5L148 V167 A170 S171 Q174 L182 L183 V184 I188 A189 Y190L148-Y186 HydrophobicContact CD2-CD2 4.09Å; L148-Y186 HydrophobicContact CD2-CG 4.48Å; V167-Y186 HydrophobicContact CG1-CE2 4.29Å; A170-Y186 HydrophobicContact CB-CD2 3.77Å; A170-Y186 HydrophobicContact CB-CE2 4.1Å; S171-Y186 WeakPolarHBondContact CB-OH 3.38Å; Q174-Y186 HydrophobicContact CB-CD1 4.08Å; Q174-Y186 HydrophobicContact CB-CE1 4.02Å; Q174-Y186 HydrophobicContact CB-CG 4.45Å; Q174-Y186 HydrophobicContact CG-CD1 3.54Å; Q174-Y186 HydrophobicContact CG-CE1 3.64Å; Q174-Y186 HydrophobicContact CG-CG 4.28Å; L182-Y186 WeakPolarHBondContact O-CB 3.13Å; L182-Y186 PolarHBondContact O-N 3.18Å; L183-Y186 PolarHBondContact O-N 3.13Å; V184-Y186 VanDerWaalsContact C-N 3.28Å; V184-Y186 PolarHBondContact O-N 3Å; Y186-I188 VanDerWaalsContact C-N 3.3Å; Y186-I188 PolarHBondContact O-N 2.9Å; Y186-A189 PolarHBondContact O-N 3.32Å; Y186-Y190 WeakPolarHBondContact O-CB 3.44Å; Y186-Y190 PolarHBondContact O-N 3.08Å
187K97.8Very high96.4Very high28 Ų2842 Ų4212%0.12220%0.195CC..Hα-helixtrans-63.3-37.3-179.4-75.5176.4178.5-74.80112L183 V184 A191 E209 L210 F214L183-K187 WeakPolarHBondContact O-CG 3.3Å; L183-K187 PolarHBondContact O-N 3.22Å; V184-K187 PolarHBondContact O-N 2.92Å; K187-A191 WeakPolarHBondContact O-CB 3.23Å; K187-A191 PolarHBondContact O-N 3.01Å; K187-E209 IonicContact NZ-OE1 3.36Å; K187-E209 PolarHBondContact NZ-OE1 3.46Å; K187-L210 HydrophobicContact CB-CD2 3.67Å; K187-L210 HydrophobicContact CB-CG 4.29Å; K187-F214 HydrophobicContact CD-CE2 3.53Å; K187-F214 HydrophobicContact CD-CZ 3.55Å
188I98Very high96.4Very high40 Ų4046.2 Ų46.221%0.20521%0.214CC..Hα-helixtrans-62.9-51.7173.7-65.8167.9000110.3V184 R185 Y186 Y190 A191 H192 L210 F225V184-I188 HydrophobicContact CG1-CD1 3.58Å; V184-I188 HydrophobicContact CG1-CG1 4.18Å; V184-I188 VanDerWaalsContact O-CG1 3.31Å; V184-I188 WeakPolarHBondContact O-CG1 3.39Å; V184-I188 PolarHBondContact O-N 3.49Å; R185-I188 PolarHBondContact O-N 3.43Å; Y186-I188 VanDerWaalsContact C-N 3.3Å; Y186-I188 PolarHBondContact O-N 2.9Å; I188-Y190 VanDerWaalsContact C-N 3.29Å; I188-Y190 PolarHBondContact O-N 3.38Å; I188-A191 PolarHBondContact O-N 3.33Å; I188-H192 PolarHBondContact O-CD2 3.38Å; I188-H192 VanDerWaalsContact O-CD2 3.23Å; I188-H192 PolarHBondContact O-N 3.27Å; I188-L210 HydrophobicContact CG1-CD1 3.92Å; I188-L210 HydrophobicContact CG1-CD2 3.94Å; I188-F225 HydrophobicContact CD1-CE1 4.41Å; I188-F225 HydrophobicContact CD1-CE2 4.49Å; I188-F225 HydrophobicContact CD1-CZ 3.65Å; I188-F225 HydrophobicContact CG1-CE1 4.01Å; I188-F225 HydrophobicContact CG1-CZ 3.66Å
189A98.2Very high96.6Very high2 Ų241.9 Ų41.92%0.01719%0.192CC..Hα-helixtrans-59.7-40.6179.200000111.8L148 L155 R185 Y186 H192 L193L148-A189 HydrophobicContact CD2-CB 4.35Å; L155-A189 HydrophobicContact CD1-CB 4.1Å; R185-A189 WeakPolarHBondContact O-CB 3.44Å; R185-A189 PolarHBondContact O-N 3.49Å; Y186-A189 PolarHBondContact O-N 3.32Å; A189-H192 PolarHBondContact O-N 3.11Å; A189-L193 WeakPolarHBondContact O-CB 3.46Å; A189-L193 PolarHBondContact O-N 3.32Å
190Y98.5Very high96.7Very high60 Ų6039.7 Ų39.724%0.23518%0.18CC..Hα-helixtrans-66.1-43.2176.5-175.2-118.9000112.4V167 Y186 I188 H192 L193 L194 R206V167-Y190 HydrophobicContact CG1-CD2 3.64Å; V167-Y190 HydrophobicContact CG1-CG 4.4Å; Y186-Y190 WeakPolarHBondContact O-CB 3.44Å; Y186-Y190 PolarHBondContact O-N 3.08Å; I188-Y190 VanDerWaalsContact C-N 3.29Å; I188-Y190 PolarHBondContact O-N 3.38Å; Y190-H192 VanDerWaalsContact C-N 3.35Å; Y190-H192 PolarHBondContact O-N 3.36Å; Y190-L193 PolarHBondContact O-N 3.34Å; Y190-L194 HydrophobicContact CD1-CD1 4.05Å; Y190-L194 HydrophobicContact CE1-CD1 3.68Å; Y190-L194 HydrophobicContact CE1-CG 4.49Å; Y190-L194 HydrophobicContact CE2-CD1 4.42Å; Y190-L194 HydrophobicContact CE2-CD2 4.48Å; Y190-L194 HydrophobicContact CE2-CG 4.39Å; Y190-L194 WeakPolarHBondContact O-CG 3.31Å; Y190-L194 PolarHBondContact O-N 3.25Å; Y190-L194 VanDerWaalsContact O-N 3.08Å; Y190-R206 HydrophobicContact CD1-CG 4.25Å; Y190-R206 HydrophobicContact CE1-CG 4.39Å
191A98.2Very high96.9Very high0 Ų036.7 Ų36.70%017%0.167CC..Hα-helixtrans-60.8-44.6174.200000111.4K187 I188 L193 L194 D195 R206 Y207 L210K187-A191 WeakPolarHBondContact O-CB 3.23Å; K187-A191 PolarHBondContact O-N 3.01Å; I188-A191 PolarHBondContact O-N 3.33Å; A191-L193 PolarHBondContact O-N 2.92Å; A191-L194 PolarHBondContact O-N 3.14Å; A191-D195 WeakPolarHBondContact O-CB 3.42Å; A191-D195 PolarHBondContact O-N 3.05Å; A191-R206 HydrophobicContact CB-CB 3.66Å; A191-Y207 HydrophobicContact CB-CD1 3.76Å; A191-Y207 HydrophobicContact CB-CE1 3.43Å; A191-Y207 VanDerWaalsContact CB-CE1 3.43Å; A191-Y207 HydrophobicContact CB-CE2 4.43Å; A191-Y207 HydrophobicContact CB-CG 4.37Å; A191-Y207 PolarHBondContact O-OH 3.4Å; A191-L210 HydrophobicContact CB-CD1 4.21Å
192H97.7Very high97Very high53 Ų5333.7 Ų33.725%0.24515%0.153CC..Hα-helixtrans-61.5-41.8176.7-75.6-161.7000112.3L155 I188 A189 Y190 D195 L196 Y207 R228L155-H192 HydrophobicContact CD1-CB 4.1Å; L155-H192 HydrophobicContact CD2-CB 4.5Å; I188-H192 PolarHBondContact O-CD2 3.38Å; I188-H192 VanDerWaalsContact O-CD2 3.23Å; I188-H192 PolarHBondContact O-N 3.27Å; A189-H192 PolarHBondContact O-N 3.11Å; Y190-H192 VanDerWaalsContact C-N 3.35Å; Y190-H192 PolarHBondContact O-N 3.36Å; H192-D195 WeakPolarHBondContact O-CB 3.38Å; H192-D195 PolarHBondContact O-N 3.43Å; H192-L196 WeakPolarHBondContact O-CG 3.36Å; H192-L196 PolarHBondContact O-N 2.81Å; H192-Y207 WeakPolarHBondContact CA-OH 3.47Å; H192-Y207 AromaticContact CD2-CE1 3.66Å; H192-Y207 AromaticContact CD2-CZ 3.83Å; H192-Y207 PolarHBondContact CD2-OH 3.01Å; H192-Y207 PolarHBondContact N-OH 3.02Å; H192-R228 PolarHBondContact CD2-NH1 3.31Å; H192-R228 VanDerWaalsContact CD2-NH1 3.32Å; H192-R228 PolarHBondContact CE1-NH1 2.92Å; H192-R228 PolarHBondContact NE2-NH1 3.49Å
193L98.1Very high97Very high3 Ų333 Ų332%0.01615%0.15CC..Hα-helixtrans-60.8-48.6176.9177.968.1000111.4L155 I160 A163 E164 V167 A189 Y190 A191 D195 L196 K197L155-L193 HydrophobicContact CD2-CB 4.14Å; L155-L193 HydrophobicContact CD2-CD1 4.18Å; I160-L193 HydrophobicContact CG2-CD1 4.08Å; A163-L193 HydrophobicContact CB-CD1 4.17Å; E164-L193 HydrophobicContact CB-CD1 4Å; E164-L193 HydrophobicContact CB-CD2 4.05Å; E164-L193 HydrophobicContact CG-CD2 4.16Å; V167-L193 HydrophobicContact CB-CD2 3.8Å; V167-L193 HydrophobicContact CG1-CD2 3.8Å; V167-L193 HydrophobicContact CG2-CD2 4.08Å; A189-L193 WeakPolarHBondContact O-CB 3.46Å; A189-L193 PolarHBondContact O-N 3.32Å; Y190-L193 PolarHBondContact O-N 3.34Å; A191-L193 PolarHBondContact O-N 2.92Å; L193-D195 VanDerWaalsContact C-N 3.28Å; L193-D195 PolarHBondContact O-N 3.05Å; L193-L196 PolarHBondContact O-N 2.92Å; L193-K197 HydrophobicContact CD1-CD 4.3Å; L193-K197 HydrophobicContact CD1-CG 4.48Å; L193-K197 HydrophobicContact CG-CD 4.27Å; L193-K197 WeakPolarHBondContact O-CB 3.42Å; L193-K197 WeakPolarHBondContact O-CG 3.4Å; L193-K197 PolarHBondContact O-N 3.22Å
194L98Very high97.1Very high9 Ų932.2 Ų32.25%0.04715%0.145CC..Hα-helixtrans-60-41.6177.8-67.9170.2000111.3Y190 A191 K197 Q198 K199 E202 A203 R206Y190-L194 HydrophobicContact CD1-CD1 4.05Å; Y190-L194 HydrophobicContact CE1-CD1 3.68Å; Y190-L194 HydrophobicContact CE1-CG 4.49Å; Y190-L194 HydrophobicContact CE2-CD1 4.42Å; Y190-L194 HydrophobicContact CE2-CD2 4.48Å; Y190-L194 HydrophobicContact CE2-CG 4.39Å; Y190-L194 WeakPolarHBondContact O-CG 3.31Å; Y190-L194 PolarHBondContact O-N 3.25Å; Y190-L194 VanDerWaalsContact O-N 3.08Å; A191-L194 PolarHBondContact O-N 3.14Å; L194-K197 CarbonylContact O-C 3.39Å; L194-K197 PolarHBondContact O-N 3.48Å; L194-Q198 PolarHBondContact O-N 3.46Å; L194-K199 HydrophobicContact CB-CB 4.31Å; L194-K199 HydrophobicContact CD2-CB 4.31Å; L194-K199 HydrophobicContact CD2-CD 3.91Å; L194-K199 WeakPolarHBondContact O-CB 3.46Å; L194-K199 PolarHBondContact O-N 2.86Å; L194-E202 HydrophobicContact CD1-CB 4.06Å; L194-E202 HydrophobicContact CD2-CB 4.44Å; L194-A203 HydrophobicContact CB-CB 3.9Å; L194-R206 HydrophobicContact CD1-CG 3.88Å
195D95.6Very high97.2Very high1 Ų135.3 Ų35.31%0.00516%0.159CC..Hα-helixtrans-61.9-47.8179.5-15322.7000111.4A191 H192 L193 K197 Q198 A203 Y207 R228 Y289A191-D195 WeakPolarHBondContact O-CB 3.42Å; A191-D195 PolarHBondContact O-N 3.05Å; H192-D195 WeakPolarHBondContact O-CB 3.38Å; H192-D195 PolarHBondContact O-N 3.43Å; L193-D195 VanDerWaalsContact C-N 3.28Å; L193-D195 PolarHBondContact O-N 3.05Å; D195-K197 VanDerWaalsContact C-N 3.31Å; D195-K197 PolarHBondContact O-N 3.17Å; D195-Q198 WeakPolarHBondContact O-CA 3.37Å; D195-Q198 PolarHBondContact O-N 2.61Å; D195-A203 HydrophobicContact CB-CB 3.82Å; D195-Y207 HydrophobicContact CB-CE2 4.2Å; D195-Y207 WeakPolarHBondContact CB-OH 3.49Å; D195-Y207 PolarHBondContact OD2-OH 3.01Å; D195-Y207 VanDerWaalsContact OD2-OH 3.05Å; D195-R228 IonicContact OD2-CZ 3.58Å; D195-R228 IonicContact OD2-NE 2.78Å; D195-R228 PolarHBondContact OD2-NE 2.9Å; D195-R228 IonicContact OD2-NH2 3.62Å; D195-R228 PolarHBondContact OD2-NH2 3.45Å; D195-Y289 WeakPolarHBondContact OD1-CE1 3.11Å; D195-Y289 VanDerWaalsContact OD1-CZ 3.32Å; D195-Y289 PolarHBondContact OD1-OH 3.32Å
196L94Very high97.2Very high20 Ų2036.1 Ų36.111%0.10516%0.162CC..Hα-helixtrans-67-30.5176-70.5179.9000112.9L155 H158 I160 H192 L193 Q198L155-L196 HydrophobicContact CD2-CD1 3.77Å; H158-L196 WeakPolarHBondContact ND1-CD2 3.38Å; I160-L196 HydrophobicContact CD1-CB 3.99Å; I160-L196 WeakPolarHBondContact CD1-O 3.37Å; I160-L196 HydrophobicContact CG1-CB 4.02Å; H192-L196 WeakPolarHBondContact O-CG 3.36Å; H192-L196 PolarHBondContact O-N 2.81Å; L193-L196 PolarHBondContact O-N 2.92Å; L196-Q198 PolarHBondContact O-N 2.98Å
197K94.5Very high97.3Very high72 Ų7235.3 Ų35.331%0.31316%0.159SC..THydrogen-bonded Turntrans-74.16.3171.1-72.6-172.966.7155.70113.5I160 E164 L193 L194 D195 K199I160-K197 HydrophobicContact CG2-CD 4.07Å; I160-K197 HydrophobicContact CG2-CG 3.38Å; E164-K197 IonicContact OE1-NZ 3.1Å; E164-K197 PolarHBondContact OE1-NZ 3.16Å; E164-K197 IonicContact OE2-NZ 3.81Å; E164-K197 PolarHBondContact OE2-NZ 3.01Å; L193-K197 HydrophobicContact CD1-CD 4.3Å; L193-K197 HydrophobicContact CD1-CG 4.48Å; L193-K197 HydrophobicContact CG-CD 4.27Å; L193-K197 WeakPolarHBondContact O-CB 3.42Å; L193-K197 WeakPolarHBondContact O-CG 3.4Å; L193-K197 PolarHBondContact O-N 3.22Å; L194-K197 CarbonylContact O-C 3.39Å; L194-K197 PolarHBondContact O-N 3.48Å; D195-K197 VanDerWaalsContact C-N 3.31Å; D195-K197 PolarHBondContact O-N 3.17Å; K197-K199 HydrophobicContact CB-CD 4.07Å; K197-K199 HydrophobicContact CB-CG 4.46Å; K197-K199 PolarHBondContact O-N 3.23Å; K197-K199 VanDerWaalsContact O-N 3.14Å
198Q94.2Very high97.3Very high96 Ų9634.3 Ų34.345%0.44916%0.156SC..THydrogen-bonded Turntrans58.821.2-176.8-56.2-179.2-5.700113.8L194 D195 L196 F200L194-Q198 PolarHBondContact O-N 3.46Å; D195-Q198 WeakPolarHBondContact O-CA 3.37Å; D195-Q198 PolarHBondContact O-N 2.61Å; L196-Q198 PolarHBondContact O-N 2.98Å; Q198-F200 HydrophobicContact CB-CE2 3.82Å; Q198-F200 HydrophobicContact CB-CZ 3.83Å; Q198-F200 HydrophobicContact CG-CE2 4.3Å; Q198-F200 HydrophobicContact CG-CZ 3.89Å; Q198-F200 WeakPolarHBondContact O-CD2 3.41Å; Q198-F200 PolarHBondContact O-N 3.2Å
199K96.2Very high97.2Very high84 Ų8434.3 Ų34.337%0.36516%0.155SC..  trans-84.456.9171.9-75.8161.1148.6-91.40109.4L194 K197 L201 E202 A203L194-K199 HydrophobicContact CB-CB 4.31Å; L194-K199 HydrophobicContact CD2-CB 4.31Å; L194-K199 HydrophobicContact CD2-CD 3.91Å; L194-K199 WeakPolarHBondContact O-CB 3.46Å; L194-K199 PolarHBondContact O-N 2.86Å; K197-K199 HydrophobicContact CB-CD 4.07Å; K197-K199 HydrophobicContact CB-CG 4.46Å; K197-K199 PolarHBondContact O-N 3.23Å; K197-K199 VanDerWaalsContact O-N 3.14Å; K199-L201 VanDerWaalsContact C-N 3.29Å; K199-L201 PolarHBondContact O-N 3.12Å; K199-E202 HydrophobicContact CB-CB 4.35Å; K199-E202 VanDerWaalsContact CB-OE2 3.23Å; K199-E202 WeakPolarHBondContact CB-OE2 3.48Å; K199-E202 VanDerWaalsContact CD-OE2 3.26Å; K199-E202 WeakPolarHBondContact CD-OE2 3.44Å; K199-E202 WeakPolarHBondContact CG-OE2 3.34Å; K199-E202 IonicContact NZ-OE1 3.45Å; K199-E202 IonicContact NZ-OE2 3.74Å; K199-E202 PolarHBondContact NZ-OE2 3.32Å; K199-E202 PolarHBondContact O-N 3.37Å; K199-E202 VanDerWaalsContact O-N 3.11Å; K199-A203 PolarHBondContact O-N 3.47Å
200F97.2Very high97.1Very high10 Ų1034.3 Ų34.34%0.04416%0.155CC..Hα-helixtrans-59.1-37.2-167.1-58.3-62.7000113.6Q198 A203 G204 A232 L235 Y289 L292 L325Q198-F200 HydrophobicContact CB-CE2 3.82Å; Q198-F200 HydrophobicContact CB-CZ 3.83Å; Q198-F200 HydrophobicContact CG-CE2 4.3Å; Q198-F200 HydrophobicContact CG-CZ 3.89Å; Q198-F200 WeakPolarHBondContact O-CD2 3.41Å; Q198-F200 PolarHBondContact O-N 3.2Å; F200-A203 PolarHBondContact O-N 3.24Å; F200-G204 PolarHBondContact O-N 3.11Å; F200-A232 HydrophobicContact CB-CB 4.34Å; F200-A232 WeakPolarHBondContact CB-O 3.43Å; F200-A232 WeakPolarHBondContact O-CB 3.12Å; F200-L235 HydrophobicContact CB-CB 4.32Å; F200-L235 HydrophobicContact CD1-CB 4.29Å; F200-L235 HydrophobicContact CD1-CD1 4.18Å; F200-L235 HydrophobicContact CD2-CB 3.84Å; F200-L235 HydrophobicContact CE1-CD1 3.95Å; F200-L235 HydrophobicContact CE2-CB 4.18Å; F200-L235 HydrophobicContact CG-CB 3.9Å; F200-L235 HydrophobicContact CZ-CD1 4.17Å; F200-Y289 HydrophobicContact CD1-CE1 4.14Å; F200-Y289 HydrophobicContact CE1-CD1 4.32Å; F200-Y289 AromaticContact CE1-CE1 3.75Å; F200-Y289 HydrophobicContact CE1-CE1 3.75Å; F200-L292 HydrophobicContact CE1-CD1 4.34Å; F200-L292 HydrophobicContact CZ-CD1 4Å; F200-L325 HydrophobicContact CE2-CD1 3.93Å; F200-L325 HydrophobicContact CZ-CD1 3.99Å
201L97.1Very high96.9Very high33 Ų3331.5 Ų31.517%0.17314%0.144CC..Hα-helixtrans-62.6-47.3177.9178.259.5000111.9K199 G204 Q205 Q241 R242 L245K199-L201 VanDerWaalsContact C-N 3.29Å; K199-L201 PolarHBondContact O-N 3.12Å; L201-G204 PolarHBondContact O-N 3.25Å; L201-Q205 WeakPolarHBondContact O-CG 3.4Å; L201-Q205 PolarHBondContact O-N 2.84Å; L201-Q241 HydrophobicContact CD1-CB 4.38Å; L201-Q241 HydrophobicContact CD2-CB 3.65Å; L201-Q241 HydrophobicContact CG-CB 4.44Å; L201-R242 HydrophobicContact CD1-CB 3.99Å; L201-L245 HydrophobicContact CD1-CB 4.48Å; L201-L245 HydrophobicContact CD1-CD2 4.15Å
202E98.1Very high96.7Very high71 Ų7135.8 Ų35.833%0.33217%0.166SC..Hα-helixtrans-66.9-44.1-179.9-62.5154.6-166.600109.6L194 K199 G204 Q205 R206L194-E202 HydrophobicContact CD1-CB 4.06Å; L194-E202 HydrophobicContact CD2-CB 4.44Å; K199-E202 HydrophobicContact CB-CB 4.35Å; K199-E202 VanDerWaalsContact CB-OE2 3.23Å; K199-E202 WeakPolarHBondContact CB-OE2 3.48Å; K199-E202 VanDerWaalsContact CD-OE2 3.26Å; K199-E202 WeakPolarHBondContact CD-OE2 3.44Å; K199-E202 WeakPolarHBondContact CG-OE2 3.34Å; K199-E202 IonicContact NZ-OE1 3.45Å; K199-E202 IonicContact NZ-OE2 3.74Å; K199-E202 PolarHBondContact NZ-OE2 3.32Å; K199-E202 PolarHBondContact O-N 3.37Å; K199-E202 VanDerWaalsContact O-N 3.11Å; E202-G204 PolarHBondContact O-N 2.97Å; E202-Q205 PolarHBondContact O-N 3.13Å; E202-R206 WeakPolarHBondContact O-CG 3.42Å; E202-R206 PolarHBondContact O-N 3.32Å; E202-R206 VanDerWaalsContact O-N 3.09Å
203A98.2Very high96.5Very high0 Ų040.7 Ų40.70%018%0.182CC..Hα-helixtrans-58.9-47174.200000112L194 D195 K199 F200 Q205 R206 Y207L194-A203 HydrophobicContact CB-CB 3.9Å; D195-A203 HydrophobicContact CB-CB 3.82Å; K199-A203 PolarHBondContact O-N 3.47Å; F200-A203 PolarHBondContact O-N 3.24Å; A203-Q205 VanDerWaalsContact C-N 3.32Å; A203-Q205 PolarHBondContact O-N 3.41Å; A203-R206 PolarHBondContact O-N 2.63Å; A203-Y207 HydrophobicContact CB-CD2 4.44Å; A203-Y207 HydrophobicContact CB-CE2 4.04Å; A203-Y207 WeakPolarHBondContact O-CD2 3.31Å; A203-Y207 PolarHBondContact O-N 2.85Å
204G98.4Very high96.2Very high0 Ų041 Ų410%018%0.183CC..Hα-helixtrans-60.2-39.9178.600000112.8F200 L201 E202 Y207 A208 A229F200-G204 PolarHBondContact O-N 3.11Å; L201-G204 PolarHBondContact O-N 3.25Å; E202-G204 PolarHBondContact O-N 2.97Å; G204-Y207 PolarHBondContact O-N 2.96Å; G204-A208 WeakPolarHBondContact O-CB 3.49Å; G204-A208 PolarHBondContact O-N 3.42Å; G204-A229 WeakPolarHBondContact O-CB 3.5Å
205Q98.1Very high95.9Very high73 Ų7344.6 Ų44.634%0.34121%0.207SC..Hα-helixtrans-62.2-42.4172.2-70.8169.11.600111.9L201 E202 A203 A208 E209 L245L201-Q205 WeakPolarHBondContact O-CG 3.4Å; L201-Q205 PolarHBondContact O-N 2.84Å; E202-Q205 PolarHBondContact O-N 3.13Å; A203-Q205 VanDerWaalsContact C-N 3.32Å; A203-Q205 PolarHBondContact O-N 3.41Å; Q205-A208 PolarHBondContact O-N 3.42Å; Q205-E209 WeakPolarHBondContact O-CB 3.4Å; Q205-E209 PolarHBondContact O-N 3.42Å; Q205-L245 HydrophobicContact CG-CD1 4.4Å; Q205-L245 HydrophobicContact CG-CD2 4.39Å
206R98Very high95.8Very high87 Ų8750.6 Ų50.633%0.32823%0.23SC..Hα-helixtrans-67.5-38.8177.7-61.6-47.4178.51631.6113Y190 A191 L194 E202 A203 E209 L210Y190-R206 HydrophobicContact CD1-CG 4.25Å; Y190-R206 HydrophobicContact CE1-CG 4.39Å; A191-R206 HydrophobicContact CB-CB 3.66Å; L194-R206 HydrophobicContact CD1-CG 3.88Å; E202-R206 WeakPolarHBondContact O-CG 3.42Å; E202-R206 PolarHBondContact O-N 3.32Å; E202-R206 VanDerWaalsContact O-N 3.09Å; A203-R206 PolarHBondContact O-N 2.63Å; R206-E209 IonicContact NH1-OE2 2.63Å; R206-E209 PolarHBondContact NH1-OE2 3.11Å; R206-E209 VanDerWaalsContact NH1-OE2 3.15Å; R206-E209 WeakPolarHBondContact O-CB 3.47Å; R206-E209 PolarHBondContact O-N 2.94Å; R206-L210 WeakPolarHBondContact O-CG 3.32Å; R206-L210 PolarHBondContact O-N 3.31Å
207Y98.6Very high95.8Very high0 Ų050.4 Ų50.40%023%0.229CC..Hα-helixtrans-66.2-42174.5-68.4-51.4000112.2A191 H192 D195 A203 G204 E209 L210 S211 F225 R228A191-Y207 HydrophobicContact CB-CD1 3.76Å; A191-Y207 HydrophobicContact CB-CE1 3.43Å; A191-Y207 VanDerWaalsContact CB-CE1 3.43Å; A191-Y207 HydrophobicContact CB-CE2 4.43Å; A191-Y207 HydrophobicContact CB-CG 4.37Å; A191-Y207 PolarHBondContact O-OH 3.4Å; H192-Y207 WeakPolarHBondContact CA-OH 3.47Å; H192-Y207 AromaticContact CD2-CE1 3.66Å; H192-Y207 AromaticContact CD2-CZ 3.83Å; H192-Y207 PolarHBondContact CD2-OH 3.01Å; H192-Y207 PolarHBondContact N-OH 3.02Å; D195-Y207 HydrophobicContact CB-CE2 4.2Å; D195-Y207 WeakPolarHBondContact CB-OH 3.49Å; D195-Y207 PolarHBondContact OD2-OH 3.01Å; D195-Y207 VanDerWaalsContact OD2-OH 3.05Å; A203-Y207 HydrophobicContact CB-CD2 4.44Å; A203-Y207 HydrophobicContact CB-CE2 4.04Å; A203-Y207 WeakPolarHBondContact O-CD2 3.31Å; A203-Y207 PolarHBondContact O-N 2.85Å; G204-Y207 PolarHBondContact O-N 2.96Å; Y207-E209 VanDerWaalsContact C-N 3.34Å; Y207-E209 PolarHBondContact O-N 3.46Å; Y207-L210 HydrophobicContact CD1-CD1 4.22Å; Y207-L210 PolarHBondContact O-N 2.84Å; Y207-S211 PolarHBondContact O-N 2.9Å; Y207-F225 WeakPolarHBondContact CB-O 3.43Å; Y207-F225 AromaticContact CD1-CD1 3.88Å; Y207-F225 HydrophobicContact CD1-CD1 3.88Å; Y207-F225 HydrophobicContact CE1-CD1 4.48Å; Y207-R228 HydrophobicContact CD1-CG 4.47Å; Y207-R228 HydrophobicContact CD2-CB 4.22Å; Y207-R228 HydrophobicContact CD2-CG 3.79Å; Y207-R228 HydrophobicContact CE1-CG 4.32Å; Y207-R228 HydrophobicContact CE2-CG 3.63Å; Y207-R228 HydrophobicContact CG-CB 4.28Å; Y207-R228 HydrophobicContact CG-CG 4.23Å; Y207-R228 VanDerWaalsContact CZ-CD 3.41Å; Y207-R228 VanDerWaalsContact CZ-NE 3.26Å; Y207-R228 PolarHBondContact OH-NE 3.31Å; Y207-R228 PolarHBondContact OH-NH2 2.95Å
208A97.6Very high95.9Very high6 Ų652.3 Ų52.35%0.0524%0.242CC..Hα-helixtrans-60.6-44.8173.600000111.1G204 Q205 L210 S211 I212 A229 L245G204-A208 WeakPolarHBondContact O-CB 3.49Å; G204-A208 PolarHBondContact O-N 3.42Å; Q205-A208 PolarHBondContact O-N 3.42Å; A208-L210 PolarHBondContact O-N 3.36Å; A208-S211 PolarHBondContact O-N 3.35Å; A208-S211 PolarHBondContact O-OG 3.31Å; A208-I212 PolarHBondContact O-N 2.91Å; A208-A229 HydrophobicContact CB-CB 4.11Å; A208-L245 HydrophobicContact CB-CD1 4.03Å
209E96.3Very high95.9Very high41 Ų4153.8 Ų53.819%0.19225%0.253CS..Hα-helixtrans-56.4-48.4174.9-173.2-168.7159.600111.7K187 Q205 R206 Y207 S211 I212 R213K187-E209 IonicContact NZ-OE1 3.36Å; K187-E209 PolarHBondContact NZ-OE1 3.46Å; Q205-E209 WeakPolarHBondContact O-CB 3.4Å; Q205-E209 PolarHBondContact O-N 3.42Å; R206-E209 IonicContact NH1-OE2 2.63Å; R206-E209 PolarHBondContact NH1-OE2 3.11Å; R206-E209 VanDerWaalsContact NH1-OE2 3.15Å; R206-E209 WeakPolarHBondContact O-CB 3.47Å; R206-E209 PolarHBondContact O-N 2.94Å; Y207-E209 VanDerWaalsContact C-N 3.34Å; Y207-E209 PolarHBondContact O-N 3.46Å; E209-S211 VanDerWaalsContact C-N 3.26Å; E209-S211 PolarHBondContact O-N 3.02Å; E209-I212 PolarHBondContact O-N 3.36Å; E209-I212 VanDerWaalsContact O-N 3.15Å; E209-R213 HydrophobicContact CG-CG 3.85Å; E209-R213 WeakPolarHBondContact O-CB 3.5Å; E209-R213 PolarHBondContact O-N 3.26Å; E209-R213 WeakPolarHBondContact OE1-CD 3.46Å; E209-R213 IonicContact OE1-CZ 3.91Å; E209-R213 IonicContact OE1-NE 3.39Å; E209-R213 IonicContact OE1-NH1 3.8Å; E209-R213 PolarHBondContact OE1-NH1 3.36Å
210L95.9Very high95.9Very high2 Ų254.3 Ų54.31%0.0127%0.268CS..Hα-helixtrans-56.1-39.1179.2-83.4164.7000112.6V184 K187 I188 A191 R206 Y207 A208 I212 F214 F225V184-L210 HydrophobicContact CG1-CD2 4.49Å; K187-L210 HydrophobicContact CB-CD2 3.67Å; K187-L210 HydrophobicContact CB-CG 4.29Å; I188-L210 HydrophobicContact CG1-CD1 3.92Å; I188-L210 HydrophobicContact CG1-CD2 3.94Å; A191-L210 HydrophobicContact CB-CD1 4.21Å; R206-L210 WeakPolarHBondContact O-CG 3.32Å; R206-L210 PolarHBondContact O-N 3.31Å; Y207-L210 HydrophobicContact CD1-CD1 4.22Å; Y207-L210 PolarHBondContact O-N 2.84Å; A208-L210 PolarHBondContact O-N 3.36Å; L210-I212 VanDerWaalsContact C-N 3.29Å; L210-I212 PolarHBondContact O-N 2.88Å; L210-F214 HydrophobicContact CD2-CD2 4.1Å; L210-F214 HydrophobicContact CD2-CE2 4.05Å; L210-F225 HydrophobicContact CB-CB 4.45Å; L210-F225 HydrophobicContact CB-CD1 4.39Å; L210-F225 HydrophobicContact CB-CD2 4.08Å; L210-F225 HydrophobicContact CB-CE2 4.47Å; L210-F225 HydrophobicContact CB-CG 4.06Å; L210-F225 HydrophobicContact CD1-CD1 4.13Å; L210-F225 HydrophobicContact CD1-CE1 4.04Å; L210-F225 HydrophobicContact CD1-CZ 4.45Å
211S95.9Very high95.9Very high0 Ų058.3 Ų58.30%029%0.287CS..Hα-helixtrans-73.4-18.2-178.180.40000115.1Y207 A208 E209 R222 I226 R254Y207-S211 PolarHBondContact O-N 2.9Å; A208-S211 PolarHBondContact O-N 3.35Å; A208-S211 PolarHBondContact O-OG 3.31Å; E209-S211 VanDerWaalsContact C-N 3.26Å; E209-S211 PolarHBondContact O-N 3.02Å; S211-R222 WeakPolarHBondContact CB-O 3.5Å; S211-R222 PolarHBondContact O-NE 3.42Å; S211-R222 PolarHBondContact O-NH2 3.48Å; S211-I226 VanDerWaalsContact CB-CG1 3.45Å; S211-I226 WeakPolarHBondContact OG-CD1 3.38Å; S211-I226 VanDerWaalsContact OG-CG1 3.25Å; S211-I226 WeakPolarHBondContact OG-CG1 3.42Å; S211-R254 PolarHBondContact OG-NH2 2.94Å
212I93.2Very high95.9Very high90 Ų9058.9 Ų58.946%0.46229%0.286SS..Hα-helixtrans-104.6-49.6-175.1-63.5169.6000110.2A208 E209 L210 F214A208-I212 PolarHBondContact O-N 2.91Å; E209-I212 PolarHBondContact O-N 3.36Å; E209-I212 VanDerWaalsContact O-N 3.15Å; L210-I212 VanDerWaalsContact C-N 3.29Å; L210-I212 PolarHBondContact O-N 2.88Å; I212-F214 VanDerWaalsContact C-N 3.28Å; I212-F214 PolarHBondContact O-N 3.23Å
213R92.5Very high95.8Very high156 Ų15658.1 Ų58.159%0.58928%0.284SS*.Hα-helixtrans-71.9-17.2-170.5-69.1-168.274.8177.88.1114.7E209 P215E209-R213 HydrophobicContact CG-CG 3.85Å; E209-R213 WeakPolarHBondContact O-CB 3.5Å; E209-R213 PolarHBondContact O-N 3.26Å; E209-R213 WeakPolarHBondContact OE1-CD 3.46Å; E209-R213 IonicContact OE1-CZ 3.91Å; E209-R213 IonicContact OE1-NE 3.39Å; E209-R213 IonicContact OE1-NH1 3.8Å; E209-R213 PolarHBondContact OE1-NH1 3.36Å; R213-P215 VanDerWaalsContact C-CD 3.46Å; R213-P215 VanDerWaalsContact O-CD 3.28Å; R213-P215 WeakPolarHBondContact O-CD 3.45Å
214F92.5Very high95.8Very high9 Ų959.9 Ų59.94%0.03930%0.299CS..  trans-120.674.6-177.3-57.6-77.2000110.6V184 K187 L210 I212 W216 L217V184-F214 HydrophobicContact CG2-CB 4.24Å; V184-F214 HydrophobicContact CG2-CD1 3.23Å; V184-F214 HydrophobicContact CG2-CD2 3.89Å; V184-F214 HydrophobicContact CG2-CE1 3.38Å; V184-F214 HydrophobicContact CG2-CE2 4.02Å; V184-F214 HydrophobicContact CG2-CG 3.5Å; V184-F214 HydrophobicContact CG2-CZ 3.78Å; K187-F214 HydrophobicContact CD-CE2 3.53Å; K187-F214 HydrophobicContact CD-CZ 3.55Å; L210-F214 HydrophobicContact CD2-CD2 4.1Å; L210-F214 HydrophobicContact CD2-CE2 4.05Å; I212-F214 VanDerWaalsContact C-N 3.28Å; I212-F214 PolarHBondContact O-N 3.23Å; F214-W216 HydrophobicContact CD1-CZ2 4.02Å; F214-W216 AromaticContact CD1-NE1 3.82Å; F214-W216 PolarHBondContact O-N 2.9Å; F214-L217 HydrophobicContact CB-CD1 3.61Å; F214-L217 HydrophobicContact CB-CG 3.82Å; F214-L217 HydrophobicContact CG-CD1 4.4Å; F214-L217 WeakPolarHBondContact O-CB 3.17Å; F214-L217 PolarHBondContact O-N 3.39Å
215P91.3Very high95.8Very high86 Ų8661 Ų6156%0.55830%0.303SS*.THydrogen-bonded Turntrans-68.9-14.6-17528.4-36.1000113.8R213 L217 R222R213-P215 VanDerWaalsContact C-CD 3.46Å; R213-P215 VanDerWaalsContact O-CD 3.28Å; R213-P215 WeakPolarHBondContact O-CD 3.45Å; P215-L217 VanDerWaalsContact C-N 3.34Å; P215-R222 PolarHBondContact O-NH1 3.01Å
216W93.6Very high95.8Very high127 Ų12757.6 Ų57.648%0.48129%0.288SS..THydrogen-bonded Turntrans-82.8-8.6176.657.7-97.8000113.6Q180 Q181 V184 F214Q180-W216 HydrophobicContact CB-CZ2 4.17Å; Q181-W216 HydrophobicContact CG-CH2 4.26Å; V184-W216 HydrophobicContact CB-CH2 4.37Å; V184-W216 HydrophobicContact CG2-CH2 3.79Å; V184-W216 HydrophobicContact CG2-CZ2 3.52Å; F214-W216 HydrophobicContact CD1-CZ2 4.02Å; F214-W216 AromaticContact CD1-NE1 3.82Å; F214-W216 PolarHBondContact O-N 2.9Å
217L94.4Very high95.8Very high15 Ų1554.9 Ų54.98%0.07928%0.279CS..SBendtrans-69.1150169.1-67.8175000110.1V184 F214 P215 R222 F225V184-L217 HydrophobicContact CG1-CD1 4.13Å; V184-L217 HydrophobicContact CG1-CD2 4.24Å; F214-L217 HydrophobicContact CB-CD1 3.61Å; F214-L217 HydrophobicContact CB-CG 3.82Å; F214-L217 HydrophobicContact CG-CD1 4.4Å; F214-L217 WeakPolarHBondContact O-CB 3.17Å; F214-L217 PolarHBondContact O-N 3.39Å; P215-L217 VanDerWaalsContact C-N 3.34Å; L217-R222 HydrophobicContact CB-CG 3.8Å; L217-R222 VanDerWaalsContact O-CD 3.27Å; L217-R222 WeakPolarHBondContact O-CD 3.22Å; L217-F225 HydrophobicContact CD1-CE2 4.13Å
218D96.1Very high95.7Very high112 Ų11256.7 Ų56.760%0.59929%0.286SS*.  trans-58.3141.9179.4-70.1-25.8000110.9S220 E221 R222D218-S220 PolarHBondContact O-N 3.11Å; D218-S220 VanDerWaalsContact O-N 3.13Å; D218-E221 HydrophobicContact CB-CG 4.23Å; D218-E221 WeakPolarHBondContact O-CB 3.49Å; D218-E221 PolarHBondContact O-N 3.42Å; D218-R222 WeakPolarHBondContact O-CG 3.4Å; D218-R222 PolarHBondContact O-N 3.05Å
219D95.7Very high95.8Very high127 Ų12756.4 Ų56.468%0.67928%0.283SS*.Hα-helixtrans-57.1-34.5-178.1-73.1-29.1000112.2R222 L223D219-R222 PolarHBondContact O-N 2.97Å; D219-L223 VanDerWaalsContact O-CB 3.26Å; D219-L223 WeakPolarHBondContact O-CB 2.99Å; D219-L223 PolarHBondContact O-N 3.18Å
220S96.4Very high95.9Very high95 Ų9554.5 Ų54.566%0.66427%0.274SS*.Hα-helixtrans-64-40.1175.3-174.30000112.5D218 A224D218-S220 PolarHBondContact O-N 3.11Å; D218-S220 VanDerWaalsContact O-N 3.13Å; S220-A224 WeakPolarHBondContact O-CB 3.42Å; S220-A224 PolarHBondContact O-N 3.34Å
221E95.9Very high95.9Very high95 Ų9554.4 Ų54.444%0.44427%0.274SS..Hα-helixtrans-69.9-44.3177.6-65.8-172.4139.900110.5D218 L223 A224 F225D218-E221 HydrophobicContact CB-CG 4.23Å; D218-E221 WeakPolarHBondContact O-CB 3.49Å; D218-E221 PolarHBondContact O-N 3.42Å; E221-L223 VanDerWaalsContact C-N 3.31Å; E221-L223 PolarHBondContact O-N 3.14Å; E221-A224 WeakPolarHBondContact O-CB 3.28Å; E221-A224 PolarHBondContact O-N 3.25Å; E221-A224 VanDerWaalsContact O-N 3.17Å; E221-F225 HydrophobicContact CB-CE2 4.38Å; E221-F225 WeakPolarHBondContact O-CD2 3.37Å; E221-F225 PolarHBondContact O-N 2.9Å
222R97Very high96Very high44 Ų4454.4 Ų54.417%0.16627%0.274CS..Hα-helixtrans-61.5-40.4177.5-64.9178.262.4-166.7-4111.9S211 P215 L217 D218 D219 F225 I226S211-R222 WeakPolarHBondContact CB-O 3.5Å; S211-R222 PolarHBondContact O-NE 3.42Å; S211-R222 PolarHBondContact O-NH2 3.48Å; P215-R222 PolarHBondContact O-NH1 3.01Å; L217-R222 HydrophobicContact CB-CG 3.8Å; L217-R222 VanDerWaalsContact O-CD 3.27Å; L217-R222 WeakPolarHBondContact O-CD 3.22Å; D218-R222 WeakPolarHBondContact O-CG 3.4Å; D218-R222 PolarHBondContact O-N 3.05Å; D219-R222 PolarHBondContact O-N 2.97Å; R222-F225 PolarHBondContact O-N 3.5Å; R222-I226 PolarHBondContact O-N 3.39Å; R222-I226 VanDerWaalsContact O-N 3.12Å
223L97.1Very high96.2Very high56 Ų5650.1 Ų50.129%0.29325%0.252SS..Hα-helixtrans-64.3-43.1174.7-172.166.5000111.2D219 E221 F225 I226 E227 R254 F258D219-L223 VanDerWaalsContact O-CB 3.26Å; D219-L223 WeakPolarHBondContact O-CB 2.99Å; D219-L223 PolarHBondContact O-N 3.18Å; E221-L223 VanDerWaalsContact C-N 3.31Å; E221-L223 PolarHBondContact O-N 3.14Å; L223-F225 VanDerWaalsContact C-N 3.31Å; L223-F225 PolarHBondContact O-N 3.39Å; L223-I226 PolarHBondContact O-N 3.28Å; L223-E227 WeakPolarHBondContact O-CB 3.43Å; L223-E227 PolarHBondContact O-N 2.99Å; L223-R254 HydrophobicContact CD1-CB 3.82Å; L223-R254 HydrophobicContact CD1-CG 4.5Å; L223-F258 HydrophobicContact CD1-CE1 3.86Å; L223-F258 HydrophobicContact CD1-CZ 3.7Å; L223-F258 HydrophobicContact CG-CE1 4.06Å; L223-F258 HydrophobicContact CG-CZ 4.19Å
224A97.4Very high96.4Very high36 Ų3642.9 Ų42.930%0.29823%0.225SC..Hα-helixtrans-62.7-35.5176.600000112.8S220 E221 R228 Y288S220-A224 WeakPolarHBondContact O-CB 3.42Å; S220-A224 PolarHBondContact O-N 3.34Å; E221-A224 WeakPolarHBondContact O-CB 3.28Å; E221-A224 PolarHBondContact O-N 3.25Å; E221-A224 VanDerWaalsContact O-N 3.17Å; A224-R228 WeakPolarHBondContact O-CB 3.33Å; A224-R228 PolarHBondContact O-N 2.88Å; A224-Y288 PolarHBondContact O-OH 2.85Å; A224-Y288 VanDerWaalsContact O-OH 3.12Å
225F98.1Very high96.5Very high23 Ų2342.7 Ų42.710%0.10122%0.224CC..Hα-helixtrans-66.9-42.3172.8-69.6-51.4000112.3I188 Y207 L210 L217 E221 R222 L223 R228 A229I188-F225 HydrophobicContact CD1-CE1 4.41Å; I188-F225 HydrophobicContact CD1-CE2 4.49Å; I188-F225 HydrophobicContact CD1-CZ 3.65Å; I188-F225 HydrophobicContact CG1-CE1 4.01Å; I188-F225 HydrophobicContact CG1-CZ 3.66Å; Y207-F225 WeakPolarHBondContact CB-O 3.43Å; Y207-F225 AromaticContact CD1-CD1 3.88Å; Y207-F225 HydrophobicContact CD1-CD1 3.88Å; Y207-F225 HydrophobicContact CE1-CD1 4.48Å; L210-F225 HydrophobicContact CB-CB 4.45Å; L210-F225 HydrophobicContact CB-CD1 4.39Å; L210-F225 HydrophobicContact CB-CD2 4.08Å; L210-F225 HydrophobicContact CB-CE2 4.47Å; L210-F225 HydrophobicContact CB-CG 4.06Å; L210-F225 HydrophobicContact CD1-CD1 4.13Å; L210-F225 HydrophobicContact CD1-CE1 4.04Å; L210-F225 HydrophobicContact CD1-CZ 4.45Å; L217-F225 HydrophobicContact CD1-CE2 4.13Å; E221-F225 HydrophobicContact CB-CE2 4.38Å; E221-F225 WeakPolarHBondContact O-CD2 3.37Å; E221-F225 PolarHBondContact O-N 2.9Å; R222-F225 PolarHBondContact O-N 3.5Å; L223-F225 VanDerWaalsContact C-N 3.31Å; L223-F225 PolarHBondContact O-N 3.39Å; F225-R228 PolarHBondContact O-N 2.95Å; F225-A229 WeakPolarHBondContact O-CB 3.34Å; F225-A229 PolarHBondContact O-N 3.38Å
226I97.8Very high96.7Very high2 Ų238.9 Ų38.91%0.0120%0.2CC..Hα-helixtrans-63-43.4175.4-77.4-63.5000111.7S211 R222 L223 R228 A229 L230 L249 C255 F258S211-I226 VanDerWaalsContact CB-CG1 3.45Å; S211-I226 WeakPolarHBondContact OG-CD1 3.38Å; S211-I226 VanDerWaalsContact OG-CG1 3.25Å; S211-I226 WeakPolarHBondContact OG-CG1 3.42Å; R222-I226 PolarHBondContact O-N 3.39Å; R222-I226 VanDerWaalsContact O-N 3.12Å; L223-I226 PolarHBondContact O-N 3.28Å; I226-R228 VanDerWaalsContact C-N 3.31Å; I226-R228 PolarHBondContact O-N 3.09Å; I226-A229 WeakPolarHBondContact O-CB 3.38Å; I226-A229 PolarHBondContact O-N 3.41Å; I226-L230 PolarHBondContact O-N 3.21Å; I226-L249 HydrophobicContact CD1-CD2 4.26Å; I226-C255 WeakPolarHBondContact CG2-SG 3.41Å; I226-F258 HydrophobicContact CG2-CE2 3.68Å; I226-F258 HydrophobicContact CG2-CZ 3.96Å
227E98.1Very high96.6Very high31 Ų3136.1 Ų36.115%0.14520%0.2CC..Hα-helixtrans-63.2-39.1177.3-163-174.9162.400111.6L223 L230 A231 F258 L284 K287 Y288L223-E227 WeakPolarHBondContact O-CB 3.43Å; L223-E227 PolarHBondContact O-N 2.99Å; E227-L230 WeakPolarHBondContact O-CB 3.39Å; E227-L230 PolarHBondContact O-N 2.68Å; E227-A231 PolarHBondContact O-N 3.21Å; E227-F258 HydrophobicContact CB-CD1 4.36Å; E227-F258 HydrophobicContact CB-CE1 3.66Å; E227-F258 HydrophobicContact CB-CE2 3.95Å; E227-F258 HydrophobicContact CB-CZ 3.43Å; E227-F258 VanDerWaalsContact CB-CZ 3.43Å; E227-F258 HydrophobicContact CG-CD1 3.86Å; E227-F258 HydrophobicContact CG-CD2 4.42Å; E227-F258 HydrophobicContact CG-CE1 3.65Å; E227-F258 HydrophobicContact CG-CE2 4.21Å; E227-F258 HydrophobicContact CG-CG 4.26Å; E227-F258 HydrophobicContact CG-CZ 3.85Å; E227-L284 HydrophobicContact CG-CD1 3.6Å; E227-K287 IonicContact OE1-NZ 3.15Å; E227-K287 PolarHBondContact OE1-NZ 3.15Å; E227-K287 IonicContact OE2-NZ 2.83Å; E227-K287 PolarHBondContact OE2-NZ 3.3Å; E227-Y288 HydrophobicContact CB-CE2 4.16Å; E227-Y288 WeakPolarHBondContact CB-OH 3.5Å; E227-Y288 HydrophobicContact CG-CE2 3.81Å; E227-Y288 PolarHBondContact OE2-OH 3.31Å
228R97.8Very high96.4Very high38 Ų3835.5 Ų35.514%0.14320%0.197CC..Hα-helixtrans-69.3-37.3174.3-163.2168.5-176176.1-6.3112.7H192 D195 Y207 A224 F225 I226 L230 A231 A232 Y288H192-R228 PolarHBondContact CD2-NH1 3.31Å; H192-R228 VanDerWaalsContact CD2-NH1 3.32Å; H192-R228 PolarHBondContact CE1-NH1 2.92Å; H192-R228 PolarHBondContact NE2-NH1 3.49Å; D195-R228 IonicContact OD2-CZ 3.58Å; D195-R228 IonicContact OD2-NE 2.78Å; D195-R228 PolarHBondContact OD2-NE 2.9Å; D195-R228 IonicContact OD2-NH2 3.62Å; D195-R228 PolarHBondContact OD2-NH2 3.45Å; Y207-R228 HydrophobicContact CD1-CG 4.47Å; Y207-R228 HydrophobicContact CD2-CB 4.22Å; Y207-R228 HydrophobicContact CD2-CG 3.79Å; Y207-R228 HydrophobicContact CE1-CG 4.32Å; Y207-R228 HydrophobicContact CE2-CG 3.63Å; Y207-R228 HydrophobicContact CG-CB 4.28Å; Y207-R228 HydrophobicContact CG-CG 4.23Å; Y207-R228 VanDerWaalsContact CZ-CD 3.41Å; Y207-R228 VanDerWaalsContact CZ-NE 3.26Å; Y207-R228 PolarHBondContact OH-NE 3.31Å; Y207-R228 PolarHBondContact OH-NH2 2.95Å; A224-R228 WeakPolarHBondContact O-CB 3.33Å; A224-R228 PolarHBondContact O-N 2.88Å; F225-R228 PolarHBondContact O-N 2.95Å; I226-R228 VanDerWaalsContact C-N 3.31Å; I226-R228 PolarHBondContact O-N 3.09Å; R228-L230 VanDerWaalsContact C-N 3.29Å; R228-L230 PolarHBondContact O-N 2.65Å; R228-A231 PolarHBondContact O-N 3.05Å; R228-A232 WeakPolarHBondContact O-CB 3.43Å; R228-A232 PolarHBondContact O-N 3.4Å; R228-Y288 HydrophobicContact CB-CD1 3.89Å; R228-Y288 HydrophobicContact CB-CE1 3.67Å; R228-Y288 HydrophobicContact CB-CG 4.38Å; R228-Y288 HydrophobicContact CG-CD1 3.57Å; R228-Y288 HydrophobicContact CG-CE1 3.88Å; R228-Y288 HydrophobicContact CG-CG 4.02Å
229A98.4Very high96Very high0 Ų030.7 Ų30.70%017%0.174CC..Hα-helixtrans-60.7-41172.800000111.4G204 A208 F225 I226 A233 L249G204-A229 WeakPolarHBondContact O-CB 3.5Å; A208-A229 HydrophobicContact CB-CB 4.11Å; F225-A229 WeakPolarHBondContact O-CB 3.34Å; F225-A229 PolarHBondContact O-N 3.38Å; I226-A229 WeakPolarHBondContact O-CB 3.38Å; I226-A229 PolarHBondContact O-N 3.41Å; A229-A233 VanDerWaalsContact O-CB 3.3Å; A229-A233 WeakPolarHBondContact O-CB 3.31Å; A229-A233 PolarHBondContact O-N 3.36Å; A229-L249 HydrophobicContact CB-CD2 3.91Å
230L98.1Very high95.7Very high0 Ų029.9 Ų29.90%017%0.166CC..Hα-helixtrans-61.9-50.4173.4174.558.8000111.3I226 E227 R228 A232 A233 L234 L249 F258 A260 L264I226-L230 PolarHBondContact O-N 3.21Å; E227-L230 WeakPolarHBondContact O-CB 3.39Å; E227-L230 PolarHBondContact O-N 2.68Å; R228-L230 VanDerWaalsContact C-N 3.29Å; R228-L230 PolarHBondContact O-N 2.65Å; L230-A232 VanDerWaalsContact C-N 3.31Å; L230-A232 PolarHBondContact O-N 2.79Å; L230-A233 WeakPolarHBondContact O-CB 3.37Å; L230-A233 PolarHBondContact O-N 3.28Å; L230-A233 VanDerWaalsContact O-N 3.15Å; L230-L234 HydrophobicContact CD1-CD1 4.01Å; L230-L234 HydrophobicContact CD1-CD2 4.25Å; L230-L234 HydrophobicContact CD1-CG 3.92Å; L230-L234 HydrophobicContact CG-CD1 4.1Å; L230-L234 HydrophobicContact CG-CG 4.42Å; L230-L234 VanDerWaalsContact O-CG 3.28Å; L230-L234 WeakPolarHBondContact O-CG 3.48Å; L230-L234 PolarHBondContact O-N 2.76Å; L230-L249 HydrophobicContact CB-CD1 4.28Å; L230-L249 HydrophobicContact CD1-CD1 4.31Å; L230-F258 HydrophobicContact CD2-CB 4.48Å; L230-F258 HydrophobicContact CD2-CD2 3.77Å; L230-F258 HydrophobicContact CD2-CE2 4.48Å; L230-A260 HydrophobicContact CD2-CB 3.85Å; L230-L264 HydrophobicContact CD1-CB 3.9Å; L230-L264 HydrophobicContact CD1-CD1 4Å; L230-L264 HydrophobicContact CD1-CD2 4.17Å; L230-L264 HydrophobicContact CD1-CG 4.23Å
231A97.1Very high95.4Very high0 Ų030.3 Ų30.30%016%0.158CC..Hα-helixtrans-56.7-45178.900000112.1E227 R228 L234 L235 L284 Y288 Y289E227-A231 PolarHBondContact O-N 3.21Å; R228-A231 PolarHBondContact O-N 3.05Å; A231-L234 PolarHBondContact O-N 3.14Å; A231-L235 PolarHBondContact O-N 3.47Å; A231-L284 HydrophobicContact CB-CD1 4.12Å; A231-L284 HydrophobicContact CB-CD2 3.78Å; A231-L284 HydrophobicContact CB-CG 3.8Å; A231-Y288 HydrophobicContact CB-CD2 4.19Å; A231-Y289 HydrophobicContact CB-CE2 3.73Å
232A97.7Very high95.4Very high0 Ų026 Ų260%014%0.137CC..Hα-helixtrans-66.3-40.5176.700000112.4F200 R228 L230 L234 L235 S236 Y289F200-A232 HydrophobicContact CB-CB 4.34Å; F200-A232 WeakPolarHBondContact CB-O 3.43Å; F200-A232 WeakPolarHBondContact O-CB 3.12Å; R228-A232 WeakPolarHBondContact O-CB 3.43Å; R228-A232 PolarHBondContact O-N 3.4Å; L230-A232 VanDerWaalsContact C-N 3.31Å; L230-A232 PolarHBondContact O-N 2.79Å; A232-L234 VanDerWaalsContact C-N 3.32Å; A232-L234 PolarHBondContact O-N 3.2Å; A232-L235 PolarHBondContact O-N 2.79Å; A232-S236 PolarHBondContact O-N 3.37Å; A232-Y289 WeakPolarHBondContact CA-OH 3.33Å; A232-Y289 WeakPolarHBondContact CB-OH 3.41Å
233A97.6Very high95.1Very high0 Ų027 Ų270%015%0.15CC..Hα-helixtrans-60.5-42.717500000111.5A229 L230 L235 S236 R242 L245 L246 L249A229-A233 VanDerWaalsContact O-CB 3.3Å; A229-A233 WeakPolarHBondContact O-CB 3.31Å; A229-A233 PolarHBondContact O-N 3.36Å; L230-A233 WeakPolarHBondContact O-CB 3.37Å; L230-A233 PolarHBondContact O-N 3.28Å; L230-A233 VanDerWaalsContact O-N 3.15Å; A233-L235 VanDerWaalsContact C-N 3.34Å; A233-L235 PolarHBondContact O-N 3.04Å; A233-S236 PolarHBondContact O-N 3.42Å; A233-S236 PolarHBondContact O-OG 3.44Å; A233-R242 PolarHBondContact O-NE 2.91Å; A233-R242 PolarHBondContact O-NH2 2.63Å; A233-L245 HydrophobicContact CB-CD2 3.64Å; A233-L245 HydrophobicContact CB-CG 4.01Å; A233-L246 HydrophobicContact CB-CD2 4.12Å; A233-L249 HydrophobicContact CB-CD1 3.79Å
234L95.6Very high94.9Very high4 Ų429.6 Ų29.62%0.02116%0.156CC..Hα-helixtrans-63.1-38.8179-67.2176.5000112.2L230 A231 A232 R242 A260 I263 M267 L281 L284 A329L230-L234 HydrophobicContact CD1-CD1 4.01Å; L230-L234 HydrophobicContact CD1-CD2 4.25Å; L230-L234 HydrophobicContact CD1-CG 3.92Å; L230-L234 HydrophobicContact CG-CD1 4.1Å; L230-L234 HydrophobicContact CG-CG 4.42Å; L230-L234 VanDerWaalsContact O-CG 3.28Å; L230-L234 WeakPolarHBondContact O-CG 3.48Å; L230-L234 PolarHBondContact O-N 2.76Å; A231-L234 PolarHBondContact O-N 3.14Å; A232-L234 VanDerWaalsContact C-N 3.32Å; A232-L234 PolarHBondContact O-N 3.2Å; L234-R242 PolarHBondContact O-NH2 2.98Å; L234-A260 HydrophobicContact CD1-CB 4.44Å; L234-I263 HydrophobicContact CD2-CG2 3.79Å; L234-M267 HydrophobicContact CD2-SD 3.42Å; L234-M267 WeakPolarHBondContact CD2-SD 3.46Å; L234-L281 HydrophobicContact CD1-CD1 3.98Å; L234-L281 HydrophobicContact CD1-CD2 3.65Å; L234-L281 HydrophobicContact CD1-CG 4.48Å; L234-L284 HydrophobicContact CD1-CD2 4.08Å; L234-A329 WeakPolarHBondContact O-CB 3.4Å
235L95.1Very high94.8Very high6 Ų628.2 Ų28.23%0.03114%0.144CC..Hα-helixtrans-77.1-19.2177.3-69174.6000114.6F200 A231 A232 A233 L285 Y289 V322 L325 L326F200-L235 HydrophobicContact CB-CB 4.32Å; F200-L235 HydrophobicContact CD1-CB 4.29Å; F200-L235 HydrophobicContact CD1-CD1 4.18Å; F200-L235 HydrophobicContact CD2-CB 3.84Å; F200-L235 HydrophobicContact CE1-CD1 3.95Å; F200-L235 HydrophobicContact CE2-CB 4.18Å; F200-L235 HydrophobicContact CG-CB 3.9Å; F200-L235 HydrophobicContact CZ-CD1 4.17Å; A231-L235 PolarHBondContact O-N 3.47Å; A232-L235 PolarHBondContact O-N 2.79Å; A233-L235 VanDerWaalsContact C-N 3.34Å; A233-L235 PolarHBondContact O-N 3.04Å; L235-L285 HydrophobicContact CD1-CD2 4.13Å; L235-L285 HydrophobicContact CD2-CD2 4.1Å; L235-L285 HydrophobicContact CG-CD2 4.23Å; L235-Y289 HydrophobicContact CD1-CD1 4.34Å; L235-Y289 HydrophobicContact CD1-CD2 3.67Å; L235-Y289 HydrophobicContact CD1-CE1 4.2Å; L235-Y289 HydrophobicContact CD1-CE2 3.49Å; L235-Y289 VanDerWaalsContact CD1-CE2 3.49Å; L235-Y289 HydrophobicContact CD1-CG 4.1Å; L235-V322 HydrophobicContact CD2-CG1 4.1Å; L235-L325 HydrophobicContact CD2-CB 4.33Å; L235-L326 HydrophobicContact CD2-CB 4.12Å; L235-L326 HydrophobicContact CD2-CD1 4.19Å
236S95.2Very high94.8Very high6 Ų627.2 Ų27.24%0.04214%0.14CC..SBendtrans-74150.3-178.767.40000113.8A232 A233 R242A232-S236 PolarHBondContact O-N 3.37Å; A233-S236 PolarHBondContact O-N 3.42Å; A233-S236 PolarHBondContact O-OG 3.44Å; S236-R242 VanDerWaalsContact O-CD 3.23Å; S236-R242 WeakPolarHBondContact O-CD 3.44Å; S236-R242 PolarHBondContact O-NE 2.76Å; S236-R242 WeakPolarHBondContact OG-CD 3.16Å; S236-R242 WeakPolarHBondContact OG-CG 3.26Å; S236-R242 PolarHBondContact OG-NE 3.1Å
237S92.1Very high94.7Very high69 Ų6928.1 Ų28.148%0.48315%0.148SC..  trans-60.8144.8176.9-62.60000113.5G239 R242 E332S237-G239 PolarHBondContact O-N 3.11Å; S237-R242 WeakPolarHBondContact O-CD 3.3Å; S237-E332 WeakPolarHBondContact CA-OE2 3.45Å; S237-E332 WeakPolarHBondContact CB-OE2 3.34Å
238A90Very high94.6Very high1 Ų129.5 Ų29.51%0.00816%0.158CC..SBendtrans-71.1115.7-173.700000112.6E332 H333 L336 R373A238-E332 HydrophobicContact CB-CB 3.58Å; A238-E332 PolarHBondContact N-OE2 3.04Å; A238-H333 HydrophobicContact CB-CB 4.45Å; A238-L336 HydrophobicContact CB-CD1 3.69Å; A238-R373 VanDerWaalsContact O-CD 3.3Å; A238-R373 WeakPolarHBondContact O-CD 3.06Å; A238-R373 PolarHBondContact O-NH1 2.87Å
239G88.2Confident94.6Very high12 Ų1227.7 Ų27.712%0.12415%0.151CC..SBendtrans-170.8178.518000000112.8S237 Q241 R242 S243S237-G239 PolarHBondContact O-N 3.11Å; G239-Q241 VanDerWaalsContact C-N 3.33Å; G239-Q241 PolarHBondContact O-N 2.74Å; G239-R242 WeakPolarHBondContact O-CB 3.4Å; G239-R242 PolarHBondContact O-N 3.13Å; G239-S243 PolarHBondContact O-N 3.28Å; G239-S243 PolarHBondContact O-OG 3.18Å
240Q88.3Confident94.5Very high110 Ų11030.2 Ų30.251%0.51416%0.161SC..Hα-helixtrans-57.2-43.5-171.5-172-175.85500113.2S243 R244Q240-S243 PolarHBondContact O-N 3.43Å; Q240-R244 WeakPolarHBondContact O-CG 3.3Å; Q240-R244 PolarHBondContact O-N 3.32Å
241Q90.9Very high94.4Very high104 Ų10436.8 Ų36.849%0.48619%0.19SC..Hα-helixtrans-66.5-37.9179-71.6-172.1-3.100112.2L201 G239 R244 L245L201-Q241 HydrophobicContact CD1-CB 4.38Å; L201-Q241 HydrophobicContact CD2-CB 3.65Å; L201-Q241 HydrophobicContact CG-CB 4.44Å; G239-Q241 VanDerWaalsContact C-N 3.33Å; G239-Q241 PolarHBondContact O-N 2.74Å; Q241-R244 WeakPolarHBondContact O-CB 3.4Å; Q241-R244 PolarHBondContact O-N 3.03Å; Q241-L245 PolarHBondContact O-N 3.07Å; Q241-L245 VanDerWaalsContact O-N 3.07Å
242R95Very high94.3Very high5 Ų538 Ų382%0.01920%0.196CC..Hα-helixtrans-65.3-44.2173.5-178.7-177-176.4-109.48.7111.4L201 A233 L234 S236 S237 G239 R244 L245 L246 M267L201-R242 HydrophobicContact CD1-CB 3.99Å; A233-R242 PolarHBondContact O-NE 2.91Å; A233-R242 PolarHBondContact O-NH2 2.63Å; L234-R242 PolarHBondContact O-NH2 2.98Å; S236-R242 VanDerWaalsContact O-CD 3.23Å; S236-R242 WeakPolarHBondContact O-CD 3.44Å; S236-R242 PolarHBondContact O-NE 2.76Å; S236-R242 WeakPolarHBondContact OG-CD 3.16Å; S236-R242 WeakPolarHBondContact OG-CG 3.26Å; S236-R242 PolarHBondContact OG-NE 3.1Å; S237-R242 WeakPolarHBondContact O-CD 3.3Å; G239-R242 WeakPolarHBondContact O-CB 3.4Å; G239-R242 PolarHBondContact O-N 3.13Å; R242-R244 PolarHBondContact O-N 3.39Å; R242-L245 PolarHBondContact O-N 2.94Å; R242-L246 HydrophobicContact CG-CD1 4.17Å; R242-L246 HydrophobicContact CG-CG 4.36Å; R242-L246 WeakPolarHBondContact O-CG 3.37Å; R242-L246 PolarHBondContact O-N 3.37Å; R242-M267 PolarHBondContact NH2-SD 3.33Å
243S92.5Very high94.2Very high63 Ų6345.2 Ų45.244%0.44123%0.23SC..Hα-helixtrans-58.3-35.7175.3-56.20000112G239 Q240 A247G239-S243 PolarHBondContact O-N 3.28Å; G239-S243 PolarHBondContact O-OG 3.18Å; Q240-S243 PolarHBondContact O-N 3.43Å; S243-A247 WeakPolarHBondContact O-CB 3.41Å; S243-A247 PolarHBondContact O-N 3.29Å
244R92.2Very high94.1Very high111 Ų11148.1 Ų48.142%0.41924%0.241SC..Hα-helixtrans-65.2-45.3172.7-71.2174.8-174.6169.57.3112.1Q240 Q241 R242 A247 T248 Q402Q240-R244 WeakPolarHBondContact O-CG 3.3Å; Q240-R244 PolarHBondContact O-N 3.32Å; Q241-R244 WeakPolarHBondContact O-CB 3.4Å; Q241-R244 PolarHBondContact O-N 3.03Å; R242-R244 PolarHBondContact O-N 3.39Å; R244-A247 WeakPolarHBondContact O-CB 3.19Å; R244-A247 PolarHBondContact O-N 3.31Å; R244-T248 PolarHBondContact O-N 3.34Å; R244-T248 PolarHBondContact O-OG1 3.37Å; R244-Q402 VanDerWaalsContact CG-NE2 3.31Å
245L96.2Very high94.2Very high7 Ų747.9 Ų47.94%0.03724%0.24CC..Hα-helixtrans-62.2-45.5177.1179.658.4000111.4L201 Q205 A208 A233 Q241 R242 A247 T248 L249L201-L245 HydrophobicContact CD1-CB 4.48Å; L201-L245 HydrophobicContact CD1-CD2 4.15Å; Q205-L245 HydrophobicContact CG-CD1 4.4Å; Q205-L245 HydrophobicContact CG-CD2 4.39Å; A208-L245 HydrophobicContact CB-CD1 4.03Å; A233-L245 HydrophobicContact CB-CD2 3.64Å; A233-L245 HydrophobicContact CB-CG 4.01Å; Q241-L245 PolarHBondContact O-N 3.07Å; Q241-L245 VanDerWaalsContact O-N 3.07Å; R242-L245 PolarHBondContact O-N 2.94Å; L245-A247 VanDerWaalsContact C-N 3.28Å; L245-A247 PolarHBondContact O-N 2.88Å; L245-T248 WeakPolarHBondContact O-CB 3.39Å; L245-T248 PolarHBondContact O-N 3.46Å; L245-T248 VanDerWaalsContact O-N 3.13Å; L245-L249 HydrophobicContact CD1-CD1 4.34Å; L245-L249 HydrophobicContact CD1-CG 4.36Å; L245-L249 HydrophobicContact CG-CD1 4.12Å; L245-L249 WeakPolarHBondContact O-CG 3.41Å; L245-L249 PolarHBondContact O-N 2.79Å
246L97.1Very high94.3Very high2 Ų253.2 Ų53.21%0.0126%0.264CS..Hα-helixtrans-59-39.4174.6-67.5170.9000111.8A233 R242 L249 Y250 L264 M267A233-L246 HydrophobicContact CB-CD2 4.12Å; R242-L246 HydrophobicContact CG-CD1 4.17Å; R242-L246 HydrophobicContact CG-CG 4.36Å; R242-L246 WeakPolarHBondContact O-CG 3.37Å; R242-L246 PolarHBondContact O-N 3.37Å; L246-L249 PolarHBondContact O-N 3.3Å; L246-Y250 VanDerWaalsContact O-CB 3.28Å; L246-Y250 WeakPolarHBondContact O-CB 3.27Å; L246-Y250 PolarHBondContact O-N 3.49Å; L246-L264 HydrophobicContact CB-CD1 4.3Å; L246-L264 HydrophobicContact CD2-CD1 3.59Å; L246-M267 HydrophobicContact CD1-CB 3.95Å; L246-M267 HydrophobicContact CD2-CB 4.48Å
247A95.5Very high94.3Very high22 Ų2257.6 Ų57.618%0.18229%0.291CS..Hα-helixtrans-64.8-38.9175.700000112.6S243 R244 L245 K251 F268S243-A247 WeakPolarHBondContact O-CB 3.41Å; S243-A247 PolarHBondContact O-N 3.29Å; R244-A247 WeakPolarHBondContact O-CB 3.19Å; R244-A247 PolarHBondContact O-N 3.31Å; L245-A247 VanDerWaalsContact C-N 3.28Å; L245-A247 PolarHBondContact O-N 2.88Å; A247-K251 WeakPolarHBondContact O-CB 3.41Å; A247-K251 VanDerWaalsContact O-CG 3.25Å; A247-K251 WeakPolarHBondContact O-CG 3.28Å; A247-K251 PolarHBondContact O-N 3.37Å; A247-F268 HydrophobicContact CB-CD2 3.98Å; A247-F268 HydrophobicContact CB-CE2 3.51Å; A247-F268 HydrophobicContact CB-CZ 4.46Å
248T95.5Very high94.5Very high59 Ų5955.2 Ų55.236%0.36227%0.272SS..Hα-helixtrans-63.3-46.3173.8-61.80000110.8R244 L245 K251 D252R244-T248 PolarHBondContact O-N 3.34Å; R244-T248 PolarHBondContact O-OG1 3.37Å; L245-T248 WeakPolarHBondContact O-CB 3.39Å; L245-T248 PolarHBondContact O-N 3.46Å; L245-T248 VanDerWaalsContact O-N 3.13Å; T248-K251 PolarHBondContact O-N 3.27Å; T248-D252 PolarHBondContact O-N 2.83Å
249L97.7Very high94.7Very high0 Ų061.8 Ų61.80%031%0.307CS..Hα-helixtrans-66.5-43.6179.7-66.4169.3000112.1I226 A229 L230 A233 L245 L246 K251 D252 C255 L264I226-L249 HydrophobicContact CD1-CD2 4.26Å; A229-L249 HydrophobicContact CB-CD2 3.91Å; L230-L249 HydrophobicContact CB-CD1 4.28Å; L230-L249 HydrophobicContact CD1-CD1 4.31Å; A233-L249 HydrophobicContact CB-CD1 3.79Å; L245-L249 HydrophobicContact CD1-CD1 4.34Å; L245-L249 HydrophobicContact CD1-CG 4.36Å; L245-L249 HydrophobicContact CG-CD1 4.12Å; L245-L249 WeakPolarHBondContact O-CG 3.41Å; L245-L249 PolarHBondContact O-N 2.79Å; L246-L249 PolarHBondContact O-N 3.3Å; L249-K251 VanDerWaalsContact C-N 3.27Å; L249-K251 PolarHBondContact O-N 3.4Å; L249-D252 WeakPolarHBondContact O-CB 3.35Å; L249-D252 PolarHBondContact O-N 2.96Å; L249-D252 VanDerWaalsContact O-N 3.08Å; L249-C255 WeakPolarHBondContact O-CB 3.38Å; L249-C255 PolarHBondContact O-SG 3.41Å; L249-L264 HydrophobicContact CB-CD1 4.04Å; L249-L264 HydrophobicContact CB-CD2 4.04Å
250Y96.4Very high95.1Very high53 Ų5361.4 Ų61.421%0.20830%0.303CS..Hα-helixtrans-63.2-33.7-179.9179.5-103.3000112.8L246 D252 Y261 E265 F268 M269L246-Y250 VanDerWaalsContact O-CB 3.28Å; L246-Y250 WeakPolarHBondContact O-CB 3.27Å; L246-Y250 PolarHBondContact O-N 3.49Å; Y250-D252 VanDerWaalsContact C-N 3.3Å; Y250-Y261 HydrophobicContact CD2-CE2 4.25Å; Y250-Y261 HydrophobicContact CE2-CE2 4.45Å; Y250-Y261 AromaticContact CE2-CZ 3.96Å; Y250-Y261 VanDerWaalsContact CE2-OH 3.23Å; Y250-Y261 WeakPolarHBondContact CE2-OH 3.28Å; Y250-E265 HydrophobicContact CD2-CB 4.46Å; Y250-E265 HydrophobicContact CE2-CB 4.06Å; Y250-E265 HydrophobicContact CE2-CG 3.87Å; Y250-F268 AromaticContact CD1-CD1 3.31Å; Y250-F268 HydrophobicContact CD1-CD1 3.31Å; Y250-F268 AromaticContact CD1-CE1 3.29Å; Y250-F268 HydrophobicContact CD1-CE1 3.29Å; Y250-F268 HydrophobicContact CD1-CG 4.16Å; Y250-F268 HydrophobicContact CD1-CZ 4.13Å; Y250-F268 HydrophobicContact CD2-CD1 4.03Å; Y250-F268 AromaticContact CE1-CD1 3.72Å; Y250-F268 HydrophobicContact CE1-CD1 3.72Å; Y250-F268 AromaticContact CE1-CE1 3.58Å; Y250-F268 HydrophobicContact CE1-CE1 3.58Å; Y250-F268 HydrophobicContact CE2-CD1 4.37Å; Y250-F268 HydrophobicContact CG-CB 4.37Å; Y250-F268 AromaticContact CG-CD1 3.48Å; Y250-F268 HydrophobicContact CG-CD1 3.48Å; Y250-F268 VanDerWaalsContact CG-CD1 3.48Å; Y250-F268 AromaticContact CG-CE1 3.96Å; Y250-F268 HydrophobicContact CG-CE1 3.96Å; Y250-F268 AromaticContact CG-CG 3.97Å; Y250-F268 HydrophobicContact CG-CG 3.97Å; Y250-M269 HydrophobicContact CE1-CE 3.93Å; Y250-M269 HydrophobicContact CE2-CE 4.43Å; Y250-M269 VanDerWaalsContact OH-CE 3.28Å; Y250-M269 WeakPolarHBondContact OH-CE 3.35Å
251K95.7Very high95.5Very high139 Ų13958 Ų5860%0.60429%0.286SS*.Hα-helixtrans-76.7-15.5176.3-71.7175.7-177.8-177.70113.5A247 T248 L249 E253A247-K251 WeakPolarHBondContact O-CB 3.41Å; A247-K251 VanDerWaalsContact O-CG 3.25Å; A247-K251 WeakPolarHBondContact O-CG 3.28Å; A247-K251 PolarHBondContact O-N 3.37Å; T248-K251 PolarHBondContact O-N 3.27Å; L249-K251 VanDerWaalsContact C-N 3.27Å; L249-K251 PolarHBondContact O-N 3.4Å; K251-E253 PolarHBondContact O-N 3.48Å
252D95.7Very high95.6Very high25 Ų2556.5 Ų56.513%0.13429%0.285CS..  trans-83.5110.6176.2-164.3-40.8000109.2T248 L249 Y250 R254 C255T248-D252 PolarHBondContact O-N 2.83Å; L249-D252 WeakPolarHBondContact O-CB 3.35Å; L249-D252 PolarHBondContact O-N 2.96Å; L249-D252 VanDerWaalsContact O-N 3.08Å; Y250-D252 VanDerWaalsContact C-N 3.3Å; D252-R254 PolarHBondContact O-N 3Å; D252-R254 VanDerWaalsContact O-N 3.1Å; D252-R254 VanDerWaalsContact OD1-CB 3.27Å; D252-R254 WeakPolarHBondContact OD1-CB 3.33Å; D252-R254 WeakPolarHBondContact OD1-CG 3.41Å; D252-R254 IonicContact OD1-CZ 2.89Å; D252-R254 PolarHBondContact OD1-N 3.23Å; D252-R254 VanDerWaalsContact OD1-N 3.14Å; D252-R254 IonicContact OD1-NE 3.75Å; D252-R254 PolarHBondContact OD1-NE 3.22Å; D252-R254 IonicContact OD1-NH2 3.75Å; D252-R254 IonicContact OD2-CZ 2.68Å; D252-R254 IonicContact OD2-NE 2.68Å; D252-R254 PolarHBondContact OD2-NE 3.3Å; D252-R254 IonicContact OD2-NH2 3.42Å; D252-R254 PolarHBondContact OD2-NH2 3.39Å; D252-C255 WeakPolarHBondContact O-CB 3.09Å; D252-C255 PolarHBondContact O-N 3.49Å
253E95.5Very high95.6Very high151 Ų15156.6 Ų56.671%0.70629%0.286SS*.G310 helixtrans-58.3-26.9-176.5-64.8-176165.400112.7K251 C255 Q256K251-E253 PolarHBondContact O-N 3.48Å; E253-C255 PolarHBondContact O-N 3.32Å; E253-Q256 VanDerWaalsContact O-CB 3.3Å; E253-Q256 WeakPolarHBondContact O-CB 3.45Å; E253-Q256 WeakPolarHBondContact O-CG 3.31Å; E253-Q256 PolarHBondContact O-N 3.47Å
254R95.8Very high95.8Very high61 Ų6153.6 Ų53.623%0.2327%0.265CS..G310 helixtrans-61.4-27.2176.5-61.2175.2-69.31761112.1S211 L223 D252 Q256 T257S211-R254 PolarHBondContact OG-NH2 2.94Å; L223-R254 HydrophobicContact CD1-CB 3.82Å; L223-R254 HydrophobicContact CD1-CG 4.5Å; D252-R254 PolarHBondContact O-N 3Å; D252-R254 VanDerWaalsContact O-N 3.1Å; D252-R254 VanDerWaalsContact OD1-CB 3.27Å; D252-R254 WeakPolarHBondContact OD1-CB 3.33Å; D252-R254 WeakPolarHBondContact OD1-CG 3.41Å; D252-R254 IonicContact OD1-CZ 2.89Å; D252-R254 PolarHBondContact OD1-N 3.23Å; D252-R254 VanDerWaalsContact OD1-N 3.14Å; D252-R254 IonicContact OD1-NE 3.75Å; D252-R254 PolarHBondContact OD1-NE 3.22Å; D252-R254 IonicContact OD1-NH2 3.75Å; D252-R254 IonicContact OD2-CZ 2.68Å; D252-R254 IonicContact OD2-NE 2.68Å; D252-R254 PolarHBondContact OD2-NE 3.3Å; D252-R254 IonicContact OD2-NH2 3.42Å; D252-R254 PolarHBondContact OD2-NH2 3.39Å; R254-Q256 PolarHBondContact O-N 2.98Å; R254-T257 PolarHBondContact O-N 3.41Å; R254-T257 PolarHBondContact O-OG1 3.38Å
255C97.3Very high95.9Very high0 Ų051 Ų510%026%0.257CS..G310 helixtrans-63.8-23.3177.1-68.60000113I226 L249 D252 E253 T257 F258 Y261 L264I226-C255 WeakPolarHBondContact CG2-SG 3.41Å; L249-C255 WeakPolarHBondContact O-CB 3.38Å; L249-C255 PolarHBondContact O-SG 3.41Å; D252-C255 WeakPolarHBondContact O-CB 3.09Å; D252-C255 PolarHBondContact O-N 3.49Å; E253-C255 PolarHBondContact O-N 3.32Å; C255-T257 PolarHBondContact O-N 3.38Å; C255-F258 HydrophobicContact CB-CD2 4.31Å; C255-F258 HydrophobicContact CB-CE2 4.39Å; C255-F258 WeakPolarHBondContact O-CD2 3.27Å; C255-F258 PolarHBondContact O-N 3.28Å; C255-Y261 HydrophobicContact CB-CD2 4.09Å; C255-Y261 HydrophobicContact CB-CE2 4.39Å; C255-Y261 WeakPolarHBondContact O-CB 3.47Å; C255-Y261 VanDerWaalsContact O-CD2 3.3Å; C255-Y261 WeakPolarHBondContact O-CD2 3.46Å; C255-L264 HydrophobicContact CB-CD2 3.85Å
256Q96.7Very high95.7Very high117 Ų11752.8 Ų52.855%0.54727%0.267SS..G310 helixtrans-65.8-17179.2-61.8177.525.400112.8E253 R254 F258 Y261E253-Q256 VanDerWaalsContact O-CB 3.3Å; E253-Q256 WeakPolarHBondContact O-CB 3.45Å; E253-Q256 WeakPolarHBondContact O-CG 3.31Å; E253-Q256 PolarHBondContact O-N 3.47Å; R254-Q256 PolarHBondContact O-N 2.98Å; Q256-F258 VanDerWaalsContact C-N 3.29Å; Q256-Y261 HydrophobicContact CB-CD2 4.49Å; Q256-Y261 HydrophobicContact CB-CE2 4.43Å; Q256-Y261 HydrophobicContact CG-CD2 4.21Å; Q256-Y261 HydrophobicContact CG-CE1 4.27Å; Q256-Y261 HydrophobicContact CG-CE2 3.68Å
257T95.6Very high95.5Very high98 Ų9853.3 Ų53.360%0.60127%0.269SS*.G310 helixtrans-80.2-9.7178.368.40000113.3R254 C255R254-T257 PolarHBondContact O-N 3.41Å; R254-T257 PolarHBondContact O-OG1 3.38Å; C255-T257 PolarHBondContact O-N 3.38Å
258F96Very high95.3Very high19 Ų1955.6 Ų55.68%0.08328%0.276CS..SBendtrans-93141.5-176.1-52.8-43.5000112.3L223 I226 E227 L230 C255 Q256 A260 Y261L223-F258 HydrophobicContact CD1-CE1 3.86Å; L223-F258 HydrophobicContact CD1-CZ 3.7Å; L223-F258 HydrophobicContact CG-CE1 4.06Å; L223-F258 HydrophobicContact CG-CZ 4.19Å; I226-F258 HydrophobicContact CG2-CE2 3.68Å; I226-F258 HydrophobicContact CG2-CZ 3.96Å; E227-F258 HydrophobicContact CB-CD1 4.36Å; E227-F258 HydrophobicContact CB-CE1 3.66Å; E227-F258 HydrophobicContact CB-CE2 3.95Å; E227-F258 HydrophobicContact CB-CZ 3.43Å; E227-F258 VanDerWaalsContact CB-CZ 3.43Å; E227-F258 HydrophobicContact CG-CD1 3.86Å; E227-F258 HydrophobicContact CG-CD2 4.42Å; E227-F258 HydrophobicContact CG-CE1 3.65Å; E227-F258 HydrophobicContact CG-CE2 4.21Å; E227-F258 HydrophobicContact CG-CG 4.26Å; E227-F258 HydrophobicContact CG-CZ 3.85Å; L230-F258 HydrophobicContact CD2-CB 4.48Å; L230-F258 HydrophobicContact CD2-CD2 3.77Å; L230-F258 HydrophobicContact CD2-CE2 4.48Å; C255-F258 HydrophobicContact CB-CD2 4.31Å; C255-F258 HydrophobicContact CB-CE2 4.39Å; C255-F258 WeakPolarHBondContact O-CD2 3.27Å; C255-F258 PolarHBondContact O-N 3.28Å; Q256-F258 VanDerWaalsContact C-N 3.29Å; F258-A260 PolarHBondContact O-N 3.25Å; F258-A260 VanDerWaalsContact O-N 3.1Å; F258-Y261 WeakPolarHBondContact O-CB 3.31Å; F258-Y261 PolarHBondContact O-N 3.32Å
259D95Very high95Very high139 Ų13956.7 Ų56.774%0.74328%0.278SS*.THydrogen-bonded Turntrans-59.2-24.6172.6-61.7-29.5000112.7Y261 P262D259-Y261 VanDerWaalsContact C-N 3.3Å; D259-Y261 PolarHBondContact O-N 2.83Å; D259-P262 VanDerWaalsContact O-CD 3.25Å; D259-P262 WeakPolarHBondContact O-CD 3.41Å
260A95.8Very high94.6Very high5 Ų557.6 Ų57.64%0.04129%0.287CS..THydrogen-bonded Turntrans-79.5-5.7176.600000114.1L230 L234 F258 P262 I263 L264 L281 L284L230-A260 HydrophobicContact CD2-CB 3.85Å; L234-A260 HydrophobicContact CD1-CB 4.44Å; F258-A260 PolarHBondContact O-N 3.25Å; F258-A260 VanDerWaalsContact O-N 3.1Å; A260-P262 VanDerWaalsContact C-CD 3.48Å; A260-I263 PolarHBondContact O-N 3.38Å; A260-I263 VanDerWaalsContact O-N 3.11Å; A260-L264 PolarHBondContact O-N 3.21Å; A260-L264 VanDerWaalsContact O-N 3.09Å; A260-L281 HydrophobicContact CB-CD2 3.51Å; A260-L284 HydrophobicContact CB-CD2 4.01Å
261Y96.6Very high94.2Very high39 Ų3960.5 Ų60.515%0.15330%0.297CS..Hα-helixtrans-56.1-41.7-178.5-176-100.3000114.4Y250 C255 Q256 F258 D259 I263 L264 E265Y250-Y261 HydrophobicContact CD2-CE2 4.25Å; Y250-Y261 HydrophobicContact CE2-CE2 4.45Å; Y250-Y261 AromaticContact CE2-CZ 3.96Å; Y250-Y261 VanDerWaalsContact CE2-OH 3.23Å; Y250-Y261 WeakPolarHBondContact CE2-OH 3.28Å; C255-Y261 HydrophobicContact CB-CD2 4.09Å; C255-Y261 HydrophobicContact CB-CE2 4.39Å; C255-Y261 WeakPolarHBondContact O-CB 3.47Å; C255-Y261 VanDerWaalsContact O-CD2 3.3Å; C255-Y261 WeakPolarHBondContact O-CD2 3.46Å; Q256-Y261 HydrophobicContact CB-CD2 4.49Å; Q256-Y261 HydrophobicContact CB-CE2 4.43Å; Q256-Y261 HydrophobicContact CG-CD2 4.21Å; Q256-Y261 HydrophobicContact CG-CE1 4.27Å; Q256-Y261 HydrophobicContact CG-CE2 3.68Å; F258-Y261 WeakPolarHBondContact O-CB 3.31Å; F258-Y261 PolarHBondContact O-N 3.32Å; D259-Y261 VanDerWaalsContact C-N 3.3Å; D259-Y261 PolarHBondContact O-N 2.83Å; Y261-I263 PolarHBondContact O-N 3.1Å; Y261-L264 HydrophobicContact CD2-CD2 4.1Å; Y261-L264 HydrophobicContact CE2-CD2 4.37Å; Y261-L264 WeakPolarHBondContact O-CB 3.01Å; Y261-L264 PolarHBondContact O-N 3.12Å; Y261-L264 VanDerWaalsContact O-N 3.11Å; Y261-E265 PolarHBondContact O-N 3.43Å
262P94.4Very high93.9Very high71 Ų7156.4 Ų56.446%0.46128%0.282SS..Hα-helixtrans-59.4-33.5177-25.236.4000113.1D259 A260 N266D259-P262 VanDerWaalsContact O-CD 3.25Å; D259-P262 WeakPolarHBondContact O-CD 3.41Å; A260-P262 VanDerWaalsContact C-CD 3.48Å; P262-N266 WeakPolarHBondContact O-CB 3.37Å; P262-N266 VanDerWaalsContact O-CG 3.27Å; P262-N266 PolarHBondContact O-N 3.46Å; P262-N266 PolarHBondContact O-ND2 2.95Å; P262-N266 VanDerWaalsContact O-ND2 3.14Å
263I94.9Very high93.8Very high8 Ų855.4 Ų55.44%0.04128%0.277CS..Hα-helixtrans-73.4-43.2175.8-66.5173.9000110.2L234 A260 Y261 E265 N266 M267 I273 S277 S280 L281L234-I263 HydrophobicContact CD2-CG2 3.79Å; A260-I263 PolarHBondContact O-N 3.38Å; A260-I263 VanDerWaalsContact O-N 3.11Å; Y261-I263 PolarHBondContact O-N 3.1Å; I263-E265 VanDerWaalsContact C-N 3.32Å; I263-E265 PolarHBondContact O-N 3.38Å; I263-N266 PolarHBondContact O-N 3.08Å; I263-M267 HydrophobicContact CG2-CG 4.23Å; I263-M267 HydrophobicContact CG2-SD 4.2Å; I263-M267 WeakPolarHBondContact O-CB 3.49Å; I263-M267 VanDerWaalsContact O-CG 3.27Å; I263-M267 WeakPolarHBondContact O-CG 3.48Å; I263-M267 PolarHBondContact O-N 3.08Å; I263-I273 HydrophobicContact CG2-CD1 4.39Å; I263-S277 WeakPolarHBondContact CD1-O 3.48Å; I263-S280 VanDerWaalsContact CD1-OG 3.26Å; I263-S280 WeakPolarHBondContact CD1-OG 3.46Å; I263-L281 HydrophobicContact CD1-CD1 3.8Å; I263-L281 HydrophobicContact CD1-CD2 3.63Å; I263-L281 HydrophobicContact CD1-CG 3.5Å; I263-L281 HydrophobicContact CG2-CD1 4.45Å
264L95.8Very high93.4Very high0 Ų053 Ų530%027%0.268CS..Hα-helixtrans-54.2-48.8172.5171.660.2000111.4L230 L246 L249 C255 A260 Y261 M267 F268L230-L264 HydrophobicContact CD1-CB 3.9Å; L230-L264 HydrophobicContact CD1-CD1 4Å; L230-L264 HydrophobicContact CD1-CD2 4.17Å; L230-L264 HydrophobicContact CD1-CG 4.23Å; L246-L264 HydrophobicContact CB-CD1 4.3Å; L246-L264 HydrophobicContact CD2-CD1 3.59Å; L249-L264 HydrophobicContact CB-CD1 4.04Å; L249-L264 HydrophobicContact CB-CD2 4.04Å; C255-L264 HydrophobicContact CB-CD2 3.85Å; A260-L264 PolarHBondContact O-N 3.21Å; A260-L264 VanDerWaalsContact O-N 3.09Å; Y261-L264 HydrophobicContact CD2-CD2 4.1Å; Y261-L264 HydrophobicContact CE2-CD2 4.37Å; Y261-L264 WeakPolarHBondContact O-CB 3.01Å; Y261-L264 PolarHBondContact O-N 3.12Å; Y261-L264 VanDerWaalsContact O-N 3.11Å; L264-M267 PolarHBondContact O-N 3.3Å; L264-F268 WeakPolarHBondContact O-CB 3.19Å; L264-F268 PolarHBondContact O-N 2.98Å
265E94.7Very high93.1Very high55 Ų5553.6 Ų53.626%0.25727%0.271SS..Hα-helixtrans-59.7-50.8178.8-179.3178.6-111.500111Y250 Y261 I263 M267 F268 M269 R271Y250-E265 HydrophobicContact CD2-CB 4.46Å; Y250-E265 HydrophobicContact CE2-CB 4.06Å; Y250-E265 HydrophobicContact CE2-CG 3.87Å; Y261-E265 PolarHBondContact O-N 3.43Å; I263-E265 VanDerWaalsContact C-N 3.32Å; I263-E265 PolarHBondContact O-N 3.38Å; E265-M267 VanDerWaalsContact C-N 3.29Å; E265-M267 PolarHBondContact O-N 2.72Å; E265-F268 PolarHBondContact O-N 2.64Å; E265-M269 HydrophobicContact CG-CG 4.15Å; E265-M269 VanDerWaalsContact O-CB 3.31Å; E265-M269 WeakPolarHBondContact O-CB 3.16Å; E265-M269 WeakPolarHBondContact O-CG 3.3Å; E265-M269 PolarHBondContact O-N 3.4Å; E265-R271 IonicContact OE2-NH1 2.71Å; E265-R271 PolarHBondContact OE2-NH1 3.31Å
266N91.3Very high92.6Very high45 Ų4557.8 Ų57.824%0.24130%0.3CS..Hα-helixtrans-62.1-38.1-179.9-72.8-30.3000112.1P262 I263 G270 R271 I273P262-N266 WeakPolarHBondContact O-CB 3.37Å; P262-N266 VanDerWaalsContact O-CG 3.27Å; P262-N266 PolarHBondContact O-N 3.46Å; P262-N266 PolarHBondContact O-ND2 2.95Å; P262-N266 VanDerWaalsContact O-ND2 3.14Å; I263-N266 PolarHBondContact O-N 3.08Å; N266-G270 PolarHBondContact O-N 3.3Å; N266-R271 HydrophobicContact CB-CB 4.23Å; N266-R271 PolarHBondContact O-N 3.06Å; N266-R271 WeakPolarHBondContact OD1-CD 3.32Å; N266-R271 PolarHBondContact OD1-NH1 3.13Å; N266-R271 VanDerWaalsContact OD1-NH1 3.11Å; N266-I273 HydrophobicContact CB-CD1 3.86Å; N266-I273 HydrophobicContact CB-CG1 3.77Å
267M92.9Very high92.1Very high13 Ų1354.2 Ų54.26%0.06429%0.288CS..Hα-helixtrans-67.7-44.3176.6-71.8-163.4121.200112.5L234 R242 L246 I263 L264 E265 G270 I273 H333L234-M267 HydrophobicContact CD2-SD 3.42Å; L234-M267 WeakPolarHBondContact CD2-SD 3.46Å; R242-M267 PolarHBondContact NH2-SD 3.33Å; L246-M267 HydrophobicContact CD1-CB 3.95Å; L246-M267 HydrophobicContact CD2-CB 4.48Å; I263-M267 HydrophobicContact CG2-CG 4.23Å; I263-M267 HydrophobicContact CG2-SD 4.2Å; I263-M267 WeakPolarHBondContact O-CB 3.49Å; I263-M267 VanDerWaalsContact O-CG 3.27Å; I263-M267 WeakPolarHBondContact O-CG 3.48Å; I263-M267 PolarHBondContact O-N 3.08Å; L264-M267 PolarHBondContact O-N 3.3Å; E265-M267 VanDerWaalsContact C-N 3.29Å; E265-M267 PolarHBondContact O-N 2.72Å; M267-G270 PolarHBondContact O-N 3.15Å; M267-I273 HydrophobicContact CB-CD1 4.38Å; M267-I273 HydrophobicContact CE-CD1 4.35Å; M267-I273 HydrophobicContact CG-CD1 3.29Å; M267-I273 HydrophobicContact SD-CD1 4.45Å; M267-H333 VanDerWaalsContact CA-CE1 3.44Å; M267-H333 WeakPolarHBondContact CA-CE1 3.35Å; M267-H333 HydrophobicContact CE-CB 3.56Å; M267-H333 VanDerWaalsContact CE-CG 3.47Å; M267-H333 PolarHBondContact O-CE1 3.32Å
268F92.6Very high91.7Very high71 Ų7149.9 Ų49.931%0.31126%0.261SS..Hα-helixtrans-64.5-40.2177.4172.4-111.9000112A247 Y250 L264 E265 G270A247-F268 HydrophobicContact CB-CD2 3.98Å; A247-F268 HydrophobicContact CB-CE2 3.51Å; A247-F268 HydrophobicContact CB-CZ 4.46Å; Y250-F268 AromaticContact CD1-CD1 3.31Å; Y250-F268 HydrophobicContact CD1-CD1 3.31Å; Y250-F268 AromaticContact CD1-CE1 3.29Å; Y250-F268 HydrophobicContact CD1-CE1 3.29Å; Y250-F268 HydrophobicContact CD1-CG 4.16Å; Y250-F268 HydrophobicContact CD1-CZ 4.13Å; Y250-F268 HydrophobicContact CD2-CD1 4.03Å; Y250-F268 AromaticContact CE1-CD1 3.72Å; Y250-F268 HydrophobicContact CE1-CD1 3.72Å; Y250-F268 AromaticContact CE1-CE1 3.58Å; Y250-F268 HydrophobicContact CE1-CE1 3.58Å; Y250-F268 HydrophobicContact CE2-CD1 4.37Å; Y250-F268 HydrophobicContact CG-CB 4.37Å; Y250-F268 AromaticContact CG-CD1 3.48Å; Y250-F268 HydrophobicContact CG-CD1 3.48Å; Y250-F268 VanDerWaalsContact CG-CD1 3.48Å; Y250-F268 AromaticContact CG-CE1 3.96Å; Y250-F268 HydrophobicContact CG-CE1 3.96Å; Y250-F268 AromaticContact CG-CG 3.97Å; Y250-F268 HydrophobicContact CG-CG 3.97Å; L264-F268 WeakPolarHBondContact O-CB 3.19Å; L264-F268 PolarHBondContact O-N 2.98Å; E265-F268 PolarHBondContact O-N 2.64Å; F268-G270 PolarHBondContact O-N 2.93Å
269M89.6Confident91.4Very high82 Ų8253.2 Ų53.240%0.40429%0.286SS..THydrogen-bonded Turntrans-77.70.8179.8-65.3-65.9178.800113.8Y250 E265 R271Y250-M269 HydrophobicContact CE1-CE 3.93Å; Y250-M269 HydrophobicContact CE2-CE 4.43Å; Y250-M269 VanDerWaalsContact OH-CE 3.28Å; Y250-M269 WeakPolarHBondContact OH-CE 3.35Å; E265-M269 HydrophobicContact CG-CG 4.15Å; E265-M269 VanDerWaalsContact O-CB 3.31Å; E265-M269 WeakPolarHBondContact O-CB 3.16Å; E265-M269 WeakPolarHBondContact O-CG 3.3Å; E265-M269 PolarHBondContact O-N 3.4Å; M269-R271 VanDerWaalsContact C-N 3.26Å; M269-R271 HydrophobicContact CB-CG 3.98Å; M269-R271 PolarHBondContact O-N 3.31Å
270G88Confident91.1Very high19 Ų1949.1 Ų49.120%0.19627%0.269CS..THydrogen-bonded Turntrans64.729.2-179.500000113.5N266 M267 F268 A337N266-G270 PolarHBondContact O-N 3.3Å; M267-G270 PolarHBondContact O-N 3.15Å; F268-G270 PolarHBondContact O-N 2.93Å; G270-A337 VanDerWaalsContact O-CB 3.29Å; G270-A337 WeakPolarHBondContact O-CB 3.36Å
271R88.8Confident91Very high113 Ų11349 Ų4943%0.42627%0.267SS..  trans-85.1149.8178.6-63.6173.2-176163.52.8110.4E265 N266 M269 H333E265-R271 IonicContact OE2-NH1 2.71Å; E265-R271 PolarHBondContact OE2-NH1 3.31Å; N266-R271 HydrophobicContact CB-CB 4.23Å; N266-R271 PolarHBondContact O-N 3.06Å; N266-R271 WeakPolarHBondContact OD1-CD 3.32Å; N266-R271 PolarHBondContact OD1-NH1 3.13Å; N266-R271 VanDerWaalsContact OD1-NH1 3.11Å; M269-R271 VanDerWaalsContact C-N 3.26Å; M269-R271 HydrophobicContact CB-CG 3.98Å; M269-R271 PolarHBondContact O-N 3.31Å; R271-H333 PolarHBondContact O-NE2 3.5Å
272L90Very high90.7Very high54 Ų5451.8 Ų51.828%0.28328%0.282SS..  trans-64.7138.9169.5-74.7161.2000110.2N334 A337 I341 L353L272-N334 HydrophobicContact CD2-CB 3.87Å; L272-A337 HydrophobicContact CD2-CB 4.12Å; L272-A337 HydrophobicContact CG-CB 4.16Å; L272-I341 HydrophobicContact CD1-CD1 3.72Å; L272-I341 HydrophobicContact CG-CD1 4.13Å; L272-L353 HydrophobicContact CD1-CD1 3.72Å; L272-L353 HydrophobicContact CD1-CD2 4.27Å; L272-L353 HydrophobicContact CD1-CG 4.24Å; L272-L353 HydrophobicContact CD2-CD1 4.41Å; L272-L353 HydrophobicContact CD2-CD2 4.26Å; L272-L353 HydrophobicContact CD2-CG 4.12Å
273I92.3Very high90.6Very high4 Ų452.3 Ų52.32%0.02129%0.285CS..  trans-124.1122.4-179.2-61.6169.6000108.5I263 N266 M267 L330 N334I263-I273 HydrophobicContact CG2-CD1 4.39Å; N266-I273 HydrophobicContact CB-CD1 3.86Å; N266-I273 HydrophobicContact CB-CG1 3.77Å; M267-I273 HydrophobicContact CB-CD1 4.38Å; M267-I273 HydrophobicContact CE-CD1 4.35Å; M267-I273 HydrophobicContact CG-CD1 3.29Å; M267-I273 HydrophobicContact SD-CD1 4.45Å; I273-L330 HydrophobicContact CB-CD1 3.55Å; I273-L330 HydrophobicContact CG2-CD1 3.57Å; I273-N334 PolarHBondContact N-OD1 2.69Å; I273-N334 PolarHBondContact O-ND2 3.08Å
274N88.4Confident90.6Very high99 Ų9952.5 Ų52.553%0.52929%0.286SS..  trans-72.8146.6177.2-61.4-22.4000110.6S276 S277N274-S276 PolarHBondContact O-N 3.06Å; N274-S277 VanDerWaalsContact O-CB 3.26Å; N274-S277 WeakPolarHBondContact O-CB 3.5Å; N274-S277 PolarHBondContact O-N 3.1Å; N274-S277 PolarHBondContact O-OG 2.68Å
275R88.7Confident90.5Very high75 Ų7552.9 Ų52.928%0.28329%0.288SS..G310 helixtrans-58.1-34.1-179.7-172.5-171.7-70.7-121.83.8112.7S277 L278 E327 L330 E355R275-S277 PolarHBondContact O-N 3.29Å; R275-S277 VanDerWaalsContact O-N 3.16Å; R275-L278 HydrophobicContact CG-CD1 4.45Å; R275-L278 VanDerWaalsContact O-CB 3.31Å; R275-L278 WeakPolarHBondContact O-CB 3.4Å; R275-L278 WeakPolarHBondContact O-CG 3.38Å; R275-L278 PolarHBondContact O-N 3.25Å; R275-E327 IonicContact CZ-OE2 2.64Å; R275-E327 IonicContact NH1-OE1 2.89Å; R275-E327 PolarHBondContact NH1-OE1 2.93Å; R275-E327 VanDerWaalsContact NH1-OE1 3.14Å; R275-E327 IonicContact NH1-OE2 3.52Å; R275-E327 PolarHBondContact NH1-OE2 3.06Å; R275-L330 HydrophobicContact CB-CD2 4.29Å; R275-E355 WeakPolarHBondContact CB-OE2 3.34Å; R275-E355 PolarHBondContact N-OE1 3.24Å; R275-E355 IonicContact NE-OE2 3.12Å; R275-E355 PolarHBondContact NH2-O 2.91Å
276S86.8Confident90.3Very high87 Ų8755.5 Ų55.561%0.60830%0.299SS*.G310 helixtrans-57.9-28.3177.457.40000113.5N274 L278 S279N274-S276 PolarHBondContact O-N 3.06Å; S276-L278 PolarHBondContact O-N 3.08Å; S276-S279 PolarHBondContact O-N 3.26Å; S276-S279 PolarHBondContact O-OG 3.44Å
277S87.1Confident90.5Very high43 Ų4358.9 Ų58.930%0.30131%0.311SS..G310 helixtrans-65.4-27.2178.2-40.60000112.3I263 N274 R275 S279 S280I263-S277 WeakPolarHBondContact CD1-O 3.48Å; N274-S277 VanDerWaalsContact O-CB 3.26Å; N274-S277 WeakPolarHBondContact O-CB 3.5Å; N274-S277 PolarHBondContact O-N 3.1Å; N274-S277 PolarHBondContact O-OG 2.68Å; R275-S277 PolarHBondContact O-N 3.29Å; R275-S277 VanDerWaalsContact O-N 3.16Å; S277-S279 PolarHBondContact O-N 3.4Å; S277-S280 PolarHBondContact O-N 3.35Å; S277-S280 PolarHBondContact O-OG 3.44Å
278L86.8Confident90.6Very high7 Ų759.5 Ų59.54%0.03731%0.313CS..G310 helixtrans-64.3-22.6-177.8-62.3-176.4000113.3R275 S276 S280 L281 L326 E327 L330R275-L278 HydrophobicContact CG-CD1 4.45Å; R275-L278 VanDerWaalsContact O-CB 3.31Å; R275-L278 WeakPolarHBondContact O-CB 3.4Å; R275-L278 WeakPolarHBondContact O-CG 3.38Å; R275-L278 PolarHBondContact O-N 3.25Å; S276-L278 PolarHBondContact O-N 3.08Å; L278-S280 PolarHBondContact O-N 2.64Å; L278-L281 HydrophobicContact CD2-CD1 4.11Å; L278-L281 WeakPolarHBondContact O-CB 3.5Å; L278-L281 PolarHBondContact O-N 3.1Å; L278-L326 HydrophobicContact CB-CD2 3.9Å; L278-L326 HydrophobicContact CD1-CD2 3.94Å; L278-L326 HydrophobicContact CD1-CG 3.94Å; L278-L326 HydrophobicContact CD2-CD1 4.27Å; L278-L326 HydrophobicContact CD2-CD2 3.96Å; L278-L326 HydrophobicContact CD2-CG 3.94Å; L278-L326 HydrophobicContact CG-CD2 4.15Å; L278-L326 HydrophobicContact CG-CG 4.4Å; L278-E327 HydrophobicContact CD1-CG 4.24Å; L278-L330 HydrophobicContact CD1-CB 4.3Å; L278-L330 HydrophobicContact CD1-CD2 3.6Å; L278-L330 HydrophobicContact CD1-CG 4.49Å; L278-L330 HydrophobicContact CD2-CD1 4.32Å; L278-L330 HydrophobicContact CD2-CD2 4.21Å; L278-L330 HydrophobicContact CG-CD2 3.92Å
279S88.5Confident90.6Very high88 Ų8856.1 Ų56.162%0.61530%0.298SS*.G310 helixtrans-56.3-32.6175.3590000112.7S276 S277 L281 E282S276-S279 PolarHBondContact O-N 3.26Å; S276-S279 PolarHBondContact O-OG 3.44Å; S277-S279 PolarHBondContact O-N 3.4Å; S279-L281 PolarHBondContact O-N 3.32Å; S279-E282 WeakPolarHBondContact O-CB 3.4Å; S279-E282 PolarHBondContact O-N 2.68Å
280S90.2Very high90.6Very high53 Ų5355.5 Ų55.537%0.37130%0.3SS..G310 helixtrans-65.8-18.4176.765.90000114I263 S277 L278 P283I263-S280 VanDerWaalsContact CD1-OG 3.26Å; I263-S280 WeakPolarHBondContact CD1-OG 3.46Å; S277-S280 PolarHBondContact O-N 3.35Å; S277-S280 PolarHBondContact O-OG 3.44Å; L278-S280 PolarHBondContact O-N 2.64Å; S280-P283 WeakPolarHBondContact O-CD 3.24Å
281L92.6Very high90.4Very high2 Ų256.9 Ų56.91%0.0130%0.302CS..G310 helixtrans-85.9-9.4179.2-61179000113.3L234 A260 I263 L278 S279 P283 L284 L285 L326L234-L281 HydrophobicContact CD1-CD1 3.98Å; L234-L281 HydrophobicContact CD1-CD2 3.65Å; L234-L281 HydrophobicContact CD1-CG 4.48Å; A260-L281 HydrophobicContact CB-CD2 3.51Å; I263-L281 HydrophobicContact CD1-CD1 3.8Å; I263-L281 HydrophobicContact CD1-CD2 3.63Å; I263-L281 HydrophobicContact CD1-CG 3.5Å; I263-L281 HydrophobicContact CG2-CD1 4.45Å; L278-L281 HydrophobicContact CD2-CD1 4.11Å; L278-L281 WeakPolarHBondContact O-CB 3.5Å; L278-L281 PolarHBondContact O-N 3.1Å; S279-L281 PolarHBondContact O-N 3.32Å; L281-P283 VanDerWaalsContact C-CD 3.48Å; L281-L284 HydrophobicContact CD2-CD2 4.31Å; L281-L284 WeakPolarHBondContact O-CB 3.21Å; L281-L284 PolarHBondContact O-N 3.47Å; L281-L284 VanDerWaalsContact O-N 3.11Å; L281-L285 HydrophobicContact CB-CD1 4.03Å; L281-L285 HydrophobicContact CB-CG 4.41Å; L281-L285 WeakPolarHBondContact O-CG 3.46Å; L281-L285 PolarHBondContact O-N 3.3Å; L281-L326 HydrophobicContact CD1-CD1 3.82Å; L281-L326 HydrophobicContact CD1-CD2 4.16Å
282E90.6Very high90.2Very high99 Ų9952 Ų5246%0.46328%0.284SS..Hα-helixtrans-55.4-43.1-176.1-168.7-176.3171.900113.5S279 L284 L285 K286S279-E282 WeakPolarHBondContact O-CB 3.4Å; S279-E282 PolarHBondContact O-N 2.68Å; E282-L284 PolarHBondContact O-N 2.9Å; E282-L285 PolarHBondContact O-N 3.48Å; E282-K286 HydrophobicContact CG-CD 4.25Å; E282-K286 WeakPolarHBondContact O-CB 3.27Å; E282-K286 WeakPolarHBondContact O-CG 3.49Å; E282-K286 PolarHBondContact O-N 2.95Å; E282-K286 WeakPolarHBondContact OE1-CE 3.24Å; E282-K286 IonicContact OE1-NZ 3.75Å; E282-K286 PolarHBondContact OE1-NZ 3.44Å
283P92.6Very high89.8Confident81 Ų8151.9 Ų51.953%0.52628%0.283SS..Hα-helixtrans-61.9-42176.2-22.234.7000112.9S280 L281 K286 K287S280-P283 WeakPolarHBondContact O-CD 3.24Å; L281-P283 VanDerWaalsContact C-CD 3.48Å; P283-K286 PolarHBondContact O-N 3.35Å; P283-K287 WeakPolarHBondContact O-CB 3.32Å; P283-K287 PolarHBondContact O-N 3.45Å
284L94.5Very high88.9Confident13 Ų1358.8 Ų58.87%0.06832%0.316CS..Hα-helixtrans-62.3-44.5178.3-17870.7000110.9E227 A231 L234 A260 L281 E282 K287 Y288E227-L284 HydrophobicContact CG-CD1 3.6Å; A231-L284 HydrophobicContact CB-CD1 4.12Å; A231-L284 HydrophobicContact CB-CD2 3.78Å; A231-L284 HydrophobicContact CB-CG 3.8Å; L234-L284 HydrophobicContact CD1-CD2 4.08Å; A260-L284 HydrophobicContact CB-CD2 4.01Å; L281-L284 HydrophobicContact CD2-CD2 4.31Å; L281-L284 WeakPolarHBondContact O-CB 3.21Å; L281-L284 PolarHBondContact O-N 3.47Å; L281-L284 VanDerWaalsContact O-N 3.11Å; E282-L284 PolarHBondContact O-N 2.9Å; L284-K287 WeakPolarHBondContact O-CB 3.44Å; L284-K287 PolarHBondContact O-N 3.47Å; L284-Y288 HydrophobicContact CD1-CD2 3.81Å; L284-Y288 HydrophobicContact CD1-CE2 3.75Å; L284-Y288 HydrophobicContact CG-CD2 4.42Å; L284-Y288 WeakPolarHBondContact O-CD2 3.46Å; L284-Y288 PolarHBondContact O-N 2.92Å; L284-Y288 VanDerWaalsContact O-N 3.13Å
285L92.9Very high87.4Confident8 Ų857.3 Ų57.34%0.04231%0.313CS..Hα-helixtrans-70.6-38.5-179.5-64167.8000111.9L235 L281 E282 K287 Y289 V322 L326L235-L285 HydrophobicContact CD1-CD2 4.13Å; L235-L285 HydrophobicContact CD2-CD2 4.1Å; L235-L285 HydrophobicContact CG-CD2 4.23Å; L281-L285 HydrophobicContact CB-CD1 4.03Å; L281-L285 HydrophobicContact CB-CG 4.41Å; L281-L285 WeakPolarHBondContact O-CG 3.46Å; L281-L285 PolarHBondContact O-N 3.3Å; E282-L285 PolarHBondContact O-N 3.48Å; L285-K287 VanDerWaalsContact C-N 3.27Å; L285-K287 PolarHBondContact O-N 3.3Å; L285-Y289 HydrophobicContact CD2-CD2 4.05Å; L285-Y289 CarbonylContact O-C 3.54Å; L285-Y289 VanDerWaalsContact O-C 3.27Å; L285-Y289 VanDerWaalsContact O-CA 3.26Å; L285-Y289 WeakPolarHBondContact O-CA 3.28Å; L285-Y289 WeakPolarHBondContact O-CB 3.37Å; L285-Y289 PolarHBondContact O-N 3.33Å; L285-V322 HydrophobicContact CB-CG1 4.24Å; L285-V322 HydrophobicContact CD1-CG1 3.74Å; L285-V322 HydrophobicContact CD2-CG1 3.78Å; L285-V322 HydrophobicContact CG-CG1 4.11Å; L285-L326 HydrophobicContact CD1-CD2 3.84Å
286K92.2Very high85.3Confident110 Ų11056.6 Ų56.648%0.47832%0.319SS..Hα-helixtrans-61.2-37.2172.2-79.3176-178.6168.70112.2E282 P283 P290 L293E282-K286 HydrophobicContact CG-CD 4.25Å; E282-K286 WeakPolarHBondContact O-CB 3.27Å; E282-K286 WeakPolarHBondContact O-CG 3.49Å; E282-K286 PolarHBondContact O-N 2.95Å; E282-K286 WeakPolarHBondContact OE1-CE 3.24Å; E282-K286 IonicContact OE1-NZ 3.75Å; E282-K286 PolarHBondContact OE1-NZ 3.44Å; P283-K286 PolarHBondContact O-N 3.35Å; K286-P290 WeakPolarHBondContact O-CD 3.43Å; K286-L293 HydrophobicContact CB-CD1 4.16Å; K286-L293 HydrophobicContact CG-CD1 3.4Å; K286-L293 VanDerWaalsContact CG-CD1 3.4Å
287K94.7Very high83Confident115 Ų11559.6 Ų59.650%0.533%0.327SS..Hα-helixtrans-68.6-46.6-179.7-177.9174.6172.6-175.10112.5E227 P283 L284 L285E227-K287 IonicContact OE1-NZ 3.15Å; E227-K287 PolarHBondContact OE1-NZ 3.15Å; E227-K287 IonicContact OE2-NZ 2.83Å; E227-K287 PolarHBondContact OE2-NZ 3.3Å; P283-K287 WeakPolarHBondContact O-CB 3.32Å; P283-K287 PolarHBondContact O-N 3.45Å; L284-K287 WeakPolarHBondContact O-CB 3.44Å; L284-K287 PolarHBondContact O-N 3.47Å; L285-K287 VanDerWaalsContact C-N 3.27Å; L285-K287 PolarHBondContact O-N 3.3Å
288Y94.5Very high80.6Confident26 Ų2665.9 Ų65.910%0.10235%0.352CS..Hα-helixtrans-103.2-24.2-172.1-67-68000115.1A224 E227 R228 A231 L284A224-Y288 PolarHBondContact O-OH 2.85Å; A224-Y288 VanDerWaalsContact O-OH 3.12Å; E227-Y288 HydrophobicContact CB-CE2 4.16Å; E227-Y288 WeakPolarHBondContact CB-OH 3.5Å; E227-Y288 HydrophobicContact CG-CE2 3.81Å; E227-Y288 PolarHBondContact OE2-OH 3.31Å; R228-Y288 HydrophobicContact CB-CD1 3.89Å; R228-Y288 HydrophobicContact CB-CE1 3.67Å; R228-Y288 HydrophobicContact CB-CG 4.38Å; R228-Y288 HydrophobicContact CG-CD1 3.57Å; R228-Y288 HydrophobicContact CG-CE1 3.88Å; R228-Y288 HydrophobicContact CG-CG 4.02Å; A231-Y288 HydrophobicContact CB-CD2 4.19Å; L284-Y288 HydrophobicContact CD1-CD2 3.81Å; L284-Y288 HydrophobicContact CD1-CE2 3.75Å; L284-Y288 HydrophobicContact CG-CD2 4.42Å; L284-Y288 WeakPolarHBondContact O-CD2 3.46Å; L284-Y288 PolarHBondContact O-N 2.92Å; L284-Y288 VanDerWaalsContact O-N 3.13Å
289Y92.5Very high78.2Confident0 Ų073.2 Ų73.20%039%0.391CS..  trans-128.244.1-175.9-57.3-75.3000113.8D195 F200 A231 A232 L235 L285 H291 L292 L293D195-Y289 WeakPolarHBondContact OD1-CE1 3.11Å; D195-Y289 VanDerWaalsContact OD1-CZ 3.32Å; D195-Y289 PolarHBondContact OD1-OH 3.32Å; F200-Y289 HydrophobicContact CD1-CE1 4.14Å; F200-Y289 HydrophobicContact CE1-CD1 4.32Å; F200-Y289 AromaticContact CE1-CE1 3.75Å; F200-Y289 HydrophobicContact CE1-CE1 3.75Å; A231-Y289 HydrophobicContact CB-CE2 3.73Å; A232-Y289 WeakPolarHBondContact CA-OH 3.33Å; A232-Y289 WeakPolarHBondContact CB-OH 3.41Å; L235-Y289 HydrophobicContact CD1-CD1 4.34Å; L235-Y289 HydrophobicContact CD1-CD2 3.67Å; L235-Y289 HydrophobicContact CD1-CE1 4.2Å; L235-Y289 HydrophobicContact CD1-CE2 3.49Å; L235-Y289 VanDerWaalsContact CD1-CE2 3.49Å; L235-Y289 HydrophobicContact CD1-CG 4.1Å; L285-Y289 HydrophobicContact CD2-CD2 4.05Å; L285-Y289 CarbonylContact O-C 3.54Å; L285-Y289 VanDerWaalsContact O-C 3.27Å; L285-Y289 VanDerWaalsContact O-CA 3.26Å; L285-Y289 WeakPolarHBondContact O-CA 3.28Å; L285-Y289 WeakPolarHBondContact O-CB 3.37Å; L285-Y289 PolarHBondContact O-N 3.33Å; Y289-H291 AromaticContact CD1-CE1 3.85Å; Y289-H291 PolarHBondContact O-N 2.9Å; Y289-L292 HydrophobicContact CD1-CD1 3.91Å; Y289-L292 HydrophobicContact CG-CD1 4.25Å; Y289-L292 PolarHBondContact O-N 3Å; Y289-L292 VanDerWaalsContact O-N 3.14Å; Y289-L293 PolarHBondContact O-N 3.37Å
290P89.3Confident75.6Confident69 Ų6975.6 Ų75.645%0.44840%0.401SS..Hα-helixtrans-60-33179.425.9-34.2000112.4K286 L292 L293 Q294K286-P290 WeakPolarHBondContact O-CD 3.43Å; P290-L292 VanDerWaalsContact C-N 3.31Å; P290-L292 PolarHBondContact O-N 2.9Å; P290-L293 WeakPolarHBondContact O-CB 3.45Å; P290-L293 PolarHBondContact O-N 3.23Å; P290-L293 VanDerWaalsContact O-N 3.1Å; P290-Q294 PolarHBondContact O-N 3.32Å
291H84.4Confident72.7Confident48 Ų4878.5 Ų78.522%0.22242%0.422CS..Hα-helixtrans-62.9-34.5178.961.6-82.4000113.2H158 Y289 L293 S295H158-H291 AromaticContact CE1-CG 3.96Å; Y289-H291 AromaticContact CD1-CE1 3.85Å; Y289-H291 PolarHBondContact O-N 2.9Å; H291-L293 VanDerWaalsContact C-N 3.31Å; H291-S295 PolarHBondContact O-N 3.06Å
292L84.7Confident69.7Low10 Ų1081.5 Ų81.55%0.05245%0.453CS..Hα-helixtrans-79.4-16.3177.3-62.9-178.2000112.4F200 Y289 P290 S295 S321 V322 L325F200-L292 HydrophobicContact CE1-CD1 4.34Å; F200-L292 HydrophobicContact CZ-CD1 4Å; Y289-L292 HydrophobicContact CD1-CD1 3.91Å; Y289-L292 HydrophobicContact CG-CD1 4.25Å; Y289-L292 PolarHBondContact O-N 3Å; Y289-L292 VanDerWaalsContact O-N 3.14Å; P290-L292 VanDerWaalsContact C-N 3.31Å; P290-L292 PolarHBondContact O-N 2.9Å; L292-S295 PolarHBondContact O-OG 2.82Å; L292-S321 PolarHBondContact O-N 3Å; L292-V322 VanDerWaalsContact C-CG2 3.5Å; L292-V322 HydrophobicContact CB-CB 4.34Å; L292-V322 HydrophobicContact CB-CG2 3.04Å; L292-V322 HydrophobicContact CD1-CG2 4.06Å; L292-V322 HydrophobicContact CG-CG2 4.16Å; L292-V322 PolarHBondContact O-N 3.16Å; L292-L325 HydrophobicContact CD1-CD1 4.22Å
293L80.8Confident66.7Low52 Ų5282.8 Ų82.827%0.27247%0.468SS..Hα-helixtrans-80.8-32.7173.4-63.6174.5000111.7K286 Y289 P290 H291 V322K286-L293 HydrophobicContact CB-CD1 4.16Å; K286-L293 HydrophobicContact CG-CD1 3.4Å; K286-L293 VanDerWaalsContact CG-CD1 3.4Å; Y289-L293 PolarHBondContact O-N 3.37Å; P290-L293 WeakPolarHBondContact O-CB 3.45Å; P290-L293 PolarHBondContact O-N 3.23Å; P290-L293 VanDerWaalsContact O-N 3.1Å; H291-L293 VanDerWaalsContact C-N 3.31Å; L293-V322 HydrophobicContact CD2-CB 3.98Å; L293-V322 HydrophobicContact CD2-CG2 3.76Å; L293-V322 HydrophobicContact CG-CG2 4.05Å
294Q73.5Confident63.5Low150 Ų15085.8 Ų85.870%0.70149%0.485SS*.Hα-helixtrans-82.8-19.4-177.8-169.5174700113.7P290 S296P290-Q294 PolarHBondContact O-N 3.32Å; Q294-S296 PolarHBondContact O-N 3.25Å; Q294-S296 PolarHBondContact O-OG 3.46Å
295S57Low60.2Low67 Ų6790.2 Ų90.247%0.46951%0.512SS..  trans-69.673.4-179.965.90000111.5H291 L292 S321H291-S295 PolarHBondContact O-N 3.06Å; L292-S295 PolarHBondContact O-OG 2.82Å; S295-S321 VanDerWaalsContact OG-CB 3.3Å; S295-S321 WeakPolarHBondContact OG-CB 3.33Å
296S44.3Very low57.1Low60 Ų6095 Ų9542%0.4255%0.546SS..  trans-131.10.3177.252.20000113.3Q294Q294-S296 PolarHBondContact O-N 3.25Å; Q294-S296 PolarHBondContact O-OG 3.46Å
297I40Very low54.2Low150 Ų15096.7 Ų96.777%0.76956%0.559SS**SBendtrans-101.2-10.8-171.2-61.6-179.6000114.9
298Q36.4Very low51Low175 Ų17599.8 Ų99.882%0.81858%0.576SS**SBendtrans-117.5-6-174.2-78.2-176.4-20.500118.5
299D36.1Very low47.9Very low162 Ų162105.3 Ų105.387%0.86661%0.607SS**SBendtrans-105.220.1-174.5-71.6-21.6000115.9
300V33.8Very low45Very low137 Ų137114.5 Ų114.583%0.8365%0.65SS**  trans-113.657.6173.3-163.10000111.1
301S30.2Very low42.1Very low115 Ų115116.2 Ų116.280%0.80466%0.663SS**SBendtrans-132.973.8163.366.40000109.8
302G28.2Very low39.3Very low65 Ų65117.7 Ų117.767%0.6769%0.692SS**SBendtrans162.6120.3170.600000111.6
303V28Very low36.6Very low126 Ų126123.3 Ų123.376%0.76473%0.727SS**  trans82.862.6165.8-160.30000115.2T305V303-T305 WeakPolarHBondContact CG1-OG1 3.43Å; V303-T305 PolarHBondContact O-N 2.62Å
304T25.9Very low34.1Very low144 Ų144129.4 Ų129.488%0.88376%0.758SS**  trans-81.970.3148.856.10000109.2S306T304-S306 PolarHBondContact O-N 3.17Å
305T24.9Very low32.2Very low105 Ų105127 Ų12764%0.64476%0.759SS**  trans-86.192.8164.726.50000109.2V303 I307V303-T305 WeakPolarHBondContact CG1-OG1 3.43Å; V303-T305 PolarHBondContact O-N 2.62Å; T305-I307 PolarHBondContact O-N 3.06Å
306S27.3Very low31Very low109 Ų109128.2 Ų128.276%0.76277%0.767SS**  trans16.789.1136.556.40000117.1T304T304-S306 PolarHBondContact O-N 3.17Å
307I31.4Very low30.5Very low146 Ų146132.2 Ų132.275%0.74979%0.789SS**  trans-135.3111.1147.5-59.7-177.6000106.9T305 D309T305-I307 PolarHBondContact O-N 3.06Å; I307-D309 PolarHBondContact O-N 3.44Å
308Q27.2Very low30.3Very low180 Ų180129.7 Ų129.784%0.84178%0.781SS**  trans-78.696.4170.4-73.1175.7-27.400107.7
309D28.9Very low31.1Very low142 Ų142124.3 Ų124.376%0.75976%0.762SS**  trans-106.6114.1162.7-95-26.8000110.2I307 S311I307-D309 PolarHBondContact O-N 3.44Å; D309-S311 PolarHBondContact O-N 3.16Å
310Q31.7Very low32.5Very low192 Ų192117.7 Ų117.790%0.89773%0.729SS**  trans-81.385175.9-64.8178.136.100108.7
311S29Very low34.6Very low105 Ų105113 Ų11373%0.73470%0.702SS**  trans-142.2113.6154620000108.2D309 T313D309-S311 PolarHBondContact O-N 3.16Å; S311-T313 PolarHBondContact O-N 3.02Å; S311-T313 VanDerWaalsContact O-N 3.13Å
312G26.6Very low37.1Very low80 Ų80107.5 Ų107.583%0.82566%0.664SS**  trans-67.4111.4-174.100000110.8
313T26.9Very low39.8Very low127 Ų127107.3 Ų107.378%0.77965%0.645SS**  trans-158.290.7139.8-57.60000107.6S311 S315S311-T313 PolarHBondContact O-N 3.02Å; S311-T313 VanDerWaalsContact O-N 3.13Å; T313-S315 PolarHBondContact O-N 3.26Å; T313-S315 VanDerWaalsContact O-N 3.11Å
314L29.6Very low42.6Very low180 Ų180107.1 Ų107.194%0.94263%0.634SS**  trans-62.2101.6160.7-84.4148.6000108.2
315S32.4Very low45.6Very low101 Ų101102.4 Ų102.471%0.70660%0.603SS**  trans-127.392.9162.2-156.20000109.5T313T313-S315 PolarHBondContact O-N 3.26Å; T313-S315 VanDerWaalsContact O-N 3.11Å
316S32.9Very low48.7Very low92 Ų9297.6 Ų97.664%0.64357%0.574SS**  trans4696.4161.859.60000117.9T318S316-T318 PolarHBondContact O-N 2.74Å
317T32.4Very low51.8Low143 Ų14394.5 Ų94.588%0.87755%0.547SS*.SBendtrans-6529.5173.835.60000116.1
318T37.3Very low54.7Low98 Ų9890.7 Ų90.760%0.60152%0.523SS*.  trans-146.661.617545.50000111.1S316 S320S316-T318 PolarHBondContact O-N 2.74Å; T318-S320 PolarHBondContact O-N 3.15Å
319S52Low57.8Low61 Ų6182.3 Ų82.343%0.42749%0.485SS..  trans-60.8113.4167.449.10000108.8K324S319-K324 WeakPolarHBondContact OG-CE 3.48Å
320S66.9Low60.9Low24 Ų2476 Ų7617%0.16845%0.451CS..  trans-55.4151.1179.763.10000110.2T318 V322 Q323 K324T318-S320 PolarHBondContact O-N 3.15Å; S320-V322 PolarHBondContact O-N 3.31Å; S320-Q323 WeakPolarHBondContact O-CB 3.43Å; S320-Q323 PolarHBondContact O-N 3.27Å; S320-Q323 PolarHBondContact OG-N 3.2Å; S320-K324 PolarHBondContact O-N 3.21Å
321S77.7Confident63.9Low38 Ų3867.5 Ų67.527%0.26641%0.412SS..Hα-helixtrans-54-38.6179.9-174.90000111.5L292 S295 Q323 K324 L325L292-S321 PolarHBondContact O-N 3Å; S295-S321 VanDerWaalsContact OG-CB 3.3Å; S295-S321 WeakPolarHBondContact OG-CB 3.33Å; S321-Q323 PolarHBondContact O-N 3.44Å; S321-K324 PolarHBondContact O-N 3.21Å; S321-L325 WeakPolarHBondContact O-CG 3.19Å; S321-L325 PolarHBondContact O-N 3.31Å; S321-L325 VanDerWaalsContact O-N 3.14Å
322V82.3Confident67.1Low0 Ų062.6 Ų62.60%038%0.377CS..Hα-helixtrans-57.1-48.4172.9-173.50000112.5L235 L285 L292 L293 S320 K324 L325 L326L235-V322 HydrophobicContact CD2-CG1 4.1Å; L285-V322 HydrophobicContact CB-CG1 4.24Å; L285-V322 HydrophobicContact CD1-CG1 3.74Å; L285-V322 HydrophobicContact CD2-CG1 3.78Å; L285-V322 HydrophobicContact CG-CG1 4.11Å; L292-V322 VanDerWaalsContact C-CG2 3.5Å; L292-V322 HydrophobicContact CB-CB 4.34Å; L292-V322 HydrophobicContact CB-CG2 3.04Å; L292-V322 HydrophobicContact CD1-CG2 4.06Å; L292-V322 HydrophobicContact CG-CG2 4.16Å; L292-V322 PolarHBondContact O-N 3.16Å; L293-V322 HydrophobicContact CD2-CB 3.98Å; L293-V322 HydrophobicContact CD2-CG2 3.76Å; L293-V322 HydrophobicContact CG-CG2 4.05Å; S320-V322 PolarHBondContact O-N 3.31Å; V322-K324 PolarHBondContact O-N 3.24Å; V322-L325 WeakPolarHBondContact O-CB 3.34Å; V322-L325 PolarHBondContact O-N 3.1Å; V322-L325 VanDerWaalsContact O-N 3.11Å; V322-L326 WeakPolarHBondContact O-CB 3.28Å; V322-L326 PolarHBondContact O-N 2.86Å
323Q83.8Confident70.3Confident60 Ų6059.3 Ų59.328%0.2834%0.34SS..Hα-helixtrans-61.8-39.6-173.5-169.866.79.400110.3S320 S321 L326 E327S320-Q323 WeakPolarHBondContact O-CB 3.43Å; S320-Q323 PolarHBondContact O-N 3.27Å; S320-Q323 PolarHBondContact OG-N 3.2Å; S321-Q323 PolarHBondContact O-N 3.44Å; Q323-L326 PolarHBondContact O-N 3.07Å; Q323-E327 HydrophobicContact CG-CG 4.47Å; Q323-E327 PolarHBondContact NE2-OE1 2.94Å; Q323-E327 VanDerWaalsContact O-CB 3.3Å; Q323-E327 WeakPolarHBondContact O-CB 3.32Å; Q323-E327 VanDerWaalsContact O-CG 3.23Å; Q323-E327 WeakPolarHBondContact O-CG 3.33Å; Q323-E327 PolarHBondContact O-N 2.99Å
324K87.3Confident73.5Confident122 Ų12253.5 Ų53.553%0.5330%0.304SS..Hα-helixtrans-64.2-43.6174.8-63.9-179.5-176.2175.90112.3S319 S320 S321 V322 L326 E327 R328S319-K324 WeakPolarHBondContact OG-CE 3.48Å; S320-K324 PolarHBondContact O-N 3.21Å; S321-K324 PolarHBondContact O-N 3.21Å; V322-K324 PolarHBondContact O-N 3.24Å; K324-L326 VanDerWaalsContact C-N 3.35Å; K324-E327 PolarHBondContact O-N 3.14Å; K324-R328 VanDerWaalsContact O-CB 3.31Å; K324-R328 WeakPolarHBondContact O-CB 3.32Å; K324-R328 PolarHBondContact O-N 3.46Å
325L89.5Confident76.6Confident45 Ų4544.9 Ų44.924%0.23626%0.259CS..Hα-helixtrans-62.2-44176.9-70.4169.4000111.4F200 L235 L292 S321 V322 R328 A329F200-L325 HydrophobicContact CE2-CD1 3.93Å; F200-L325 HydrophobicContact CZ-CD1 3.99Å; L235-L325 HydrophobicContact CD2-CB 4.33Å; L292-L325 HydrophobicContact CD1-CD1 4.22Å; S321-L325 WeakPolarHBondContact O-CG 3.19Å; S321-L325 PolarHBondContact O-N 3.31Å; S321-L325 VanDerWaalsContact O-N 3.14Å; V322-L325 WeakPolarHBondContact O-CB 3.34Å; V322-L325 PolarHBondContact O-N 3.1Å; V322-L325 VanDerWaalsContact O-N 3.11Å; L325-R328 PolarHBondContact O-N 3.46Å; L325-A329 WeakPolarHBondContact O-CB 3.49Å; L325-A329 PolarHBondContact O-N 3.5Å
326L90.5Very high79.4Confident4 Ų441.8 Ų41.82%0.02124%0.235CC..Hα-helixtrans-66.8-44.6178.8-174.169.4000111.9L235 L278 L281 L285 V322 Q323 K324 A329 L330L235-L326 HydrophobicContact CD2-CB 4.12Å; L235-L326 HydrophobicContact CD2-CD1 4.19Å; L278-L326 HydrophobicContact CB-CD2 3.9Å; L278-L326 HydrophobicContact CD1-CD2 3.94Å; L278-L326 HydrophobicContact CD1-CG 3.94Å; L278-L326 HydrophobicContact CD2-CD1 4.27Å; L278-L326 HydrophobicContact CD2-CD2 3.96Å; L278-L326 HydrophobicContact CD2-CG 3.94Å; L278-L326 HydrophobicContact CG-CD2 4.15Å; L278-L326 HydrophobicContact CG-CG 4.4Å; L281-L326 HydrophobicContact CD1-CD1 3.82Å; L281-L326 HydrophobicContact CD1-CD2 4.16Å; L285-L326 HydrophobicContact CD1-CD2 3.84Å; V322-L326 WeakPolarHBondContact O-CB 3.28Å; V322-L326 PolarHBondContact O-N 2.86Å; Q323-L326 PolarHBondContact O-N 3.07Å; K324-L326 VanDerWaalsContact C-N 3.35Å; L326-A329 PolarHBondContact O-N 2.93Å; L326-L330 WeakPolarHBondContact O-CB 3.5Å; L326-L330 PolarHBondContact O-N 2.88Å
327E91Very high82.2Confident45 Ų4537.5 Ų37.521%0.2120%0.204CC..Hα-helixtrans-62.4-43.1175.7-76179.6-176.800111.2R275 L278 Q323 K324 A329 L330 I331R275-E327 IonicContact CZ-OE2 2.64Å; R275-E327 IonicContact NH1-OE1 2.89Å; R275-E327 PolarHBondContact NH1-OE1 2.93Å; R275-E327 VanDerWaalsContact NH1-OE1 3.14Å; R275-E327 IonicContact NH1-OE2 3.52Å; R275-E327 PolarHBondContact NH1-OE2 3.06Å; L278-E327 HydrophobicContact CD1-CG 4.24Å; Q323-E327 HydrophobicContact CG-CG 4.47Å; Q323-E327 PolarHBondContact NE2-OE1 2.94Å; Q323-E327 VanDerWaalsContact O-CB 3.3Å; Q323-E327 WeakPolarHBondContact O-CB 3.32Å; Q323-E327 VanDerWaalsContact O-CG 3.23Å; Q323-E327 WeakPolarHBondContact O-CG 3.33Å; Q323-E327 PolarHBondContact O-N 2.99Å; K324-E327 PolarHBondContact O-N 3.14Å; E327-A329 PolarHBondContact O-N 2.87Å; E327-L330 WeakPolarHBondContact O-CB 3.21Å; E327-L330 PolarHBondContact O-N 2.84Å; E327-I331 WeakPolarHBondContact O-CD1 3.39Å; E327-I331 VanDerWaalsContact O-CG1 3.25Å; E327-I331 WeakPolarHBondContact O-CG1 3.44Å; E327-I331 PolarHBondContact O-N 3.5Å
328R92.2Very high85Confident66 Ų6630.7 Ų30.725%0.24916%0.163CC..Hα-helixtrans-58.5-49174-175.774.1179.192.72.5110.9K324 L325 L330 I331 E332 I364K324-R328 VanDerWaalsContact O-CB 3.31Å; K324-R328 WeakPolarHBondContact O-CB 3.32Å; K324-R328 PolarHBondContact O-N 3.46Å; L325-R328 PolarHBondContact O-N 3.46Å; R328-L330 VanDerWaalsContact C-N 3.3Å; R328-L330 PolarHBondContact O-N 3.48Å; R328-I331 PolarHBondContact O-N 2.73Å; R328-E332 IonicContact CZ-OE1 2.76Å; R328-E332 IonicContact NE-OE1 2.98Å; R328-E332 IonicContact NH1-OE1 3.9Å; R328-E332 PolarHBondContact NH1-OE1 2.81Å; R328-E332 IonicContact NH2-OE1 3.1Å; R328-E332 PolarHBondContact NH2-OE1 3.15Å; R328-E332 VanDerWaalsContact NH2-OE1 3.09Å; R328-E332 WeakPolarHBondContact O-CG 3.28Å; R328-E332 PolarHBondContact O-N 3.06Å; R328-E332 VanDerWaalsContact O-N 3.09Å; R328-I364 VanDerWaalsContact NH1-CG2 3.28Å
329A93.1Very high87.6Confident3 Ų327 Ų273%0.02514%0.141CC..Hα-helixtrans-62.3-37.317900000112.5L234 L325 L326 E327 H333L234-A329 WeakPolarHBondContact O-CB 3.4Å; L325-A329 WeakPolarHBondContact O-CB 3.49Å; L325-A329 PolarHBondContact O-N 3.5Å; L326-A329 PolarHBondContact O-N 2.93Å; E327-A329 PolarHBondContact O-N 2.87Å; A329-H333 WeakPolarHBondContact O-CB 3.13Å; A329-H333 PolarHBondContact O-N 3.11Å
330L93.6Very high89.2Confident9 Ų930 Ų305%0.04715%0.152CC..Hα-helixtrans-63.6-48.3174.9179.168.1000111.7I273 R275 L278 L326 E327 R328 E332 H333 N334I273-L330 HydrophobicContact CB-CD1 3.55Å; I273-L330 HydrophobicContact CG2-CD1 3.57Å; R275-L330 HydrophobicContact CB-CD2 4.29Å; L278-L330 HydrophobicContact CD1-CB 4.3Å; L278-L330 HydrophobicContact CD1-CD2 3.6Å; L278-L330 HydrophobicContact CD1-CG 4.49Å; L278-L330 HydrophobicContact CD2-CD1 4.32Å; L278-L330 HydrophobicContact CD2-CD2 4.21Å; L278-L330 HydrophobicContact CG-CD2 3.92Å; L326-L330 WeakPolarHBondContact O-CB 3.5Å; L326-L330 PolarHBondContact O-N 2.88Å; E327-L330 WeakPolarHBondContact O-CB 3.21Å; E327-L330 PolarHBondContact O-N 2.84Å; R328-L330 VanDerWaalsContact C-N 3.3Å; R328-L330 PolarHBondContact O-N 3.48Å; L330-E332 PolarHBondContact O-N 2.86Å; L330-H333 WeakPolarHBondContact O-CB 3.3Å; L330-H333 PolarHBondContact O-N 3.43Å; L330-N334 WeakPolarHBondContact O-CB 3.49Å; L330-N334 PolarHBondContact O-N 2.88Å
331I95.3Very high90.1Very high15 Ų1533.5 Ų33.58%0.07717%0.167CC..Hα-helixtrans-62.4-45-178.5-67.5158.6000110.6E327 R328 H333 N334 M335 L354 I356 I364E327-I331 WeakPolarHBondContact O-CD1 3.39Å; E327-I331 VanDerWaalsContact O-CG1 3.25Å; E327-I331 WeakPolarHBondContact O-CG1 3.44Å; E327-I331 PolarHBondContact O-N 3.5Å; R328-I331 PolarHBondContact O-N 2.73Å; I331-H333 VanDerWaalsContact C-N 3.31Å; I331-H333 PolarHBondContact O-N 2.9Å; I331-N334 PolarHBondContact O-N 3.16Å; I331-M335 WeakPolarHBondContact O-CB 3.28Å; I331-M335 PolarHBondContact O-N 2.94Å; I331-L354 HydrophobicContact CG2-CD1 4.26Å; I331-I356 HydrophobicContact CD1-CG2 3.59Å; I331-I356 HydrophobicContact CG1-CG2 4.14Å; I331-I356 HydrophobicContact CG2-CD1 3.77Å; I331-I364 HydrophobicContact CG2-CD1 3.61Å; I331-I364 HydrophobicContact CG2-CG2 4.31Å
332E95.5Very high90.7Very high2 Ų236 Ų361%0.00917%0.172CC..Hα-helixtrans-61.5-41.6176.5-65.8-173.9159.900112.2S237 A238 R328 L330 M335 L336 M368 R373S237-E332 WeakPolarHBondContact CA-OE2 3.45Å; S237-E332 WeakPolarHBondContact CB-OE2 3.34Å; A238-E332 HydrophobicContact CB-CB 3.58Å; A238-E332 PolarHBondContact N-OE2 3.04Å; R328-E332 IonicContact CZ-OE1 2.76Å; R328-E332 IonicContact NE-OE1 2.98Å; R328-E332 IonicContact NH1-OE1 3.9Å; R328-E332 PolarHBondContact NH1-OE1 2.81Å; R328-E332 IonicContact NH2-OE1 3.1Å; R328-E332 PolarHBondContact NH2-OE1 3.15Å; R328-E332 VanDerWaalsContact NH2-OE1 3.09Å; R328-E332 WeakPolarHBondContact O-CG 3.28Å; R328-E332 PolarHBondContact O-N 3.06Å; R328-E332 VanDerWaalsContact O-N 3.09Å; L330-E332 PolarHBondContact O-N 2.86Å; E332-M335 PolarHBondContact O-N 3.44Å; E332-L336 PolarHBondContact O-N 2.83Å; E332-L336 VanDerWaalsContact O-N 3.13Å; E332-M368 HydrophobicContact CB-CE 4.04Å; E332-M368 HydrophobicContact CB-SD 3.78Å; E332-M368 HydrophobicContact CG-SD 3.84Å; E332-M368 WeakPolarHBondContact O-CE 3.48Å; E332-R373 VanDerWaalsContact CD-NH1 3.25Å; E332-R373 IonicContact OE1-CZ 3.09Å; E332-R373 IonicContact OE1-NH1 3.69Å; E332-R373 IonicContact OE1-NH2 2.7Å; E332-R373 PolarHBondContact OE1-NH2 3.4Å; E332-R373 IonicContact OE2-CZ 3.76Å; E332-R373 IonicContact OE2-NH1 3.95Å; E332-R373 PolarHBondContact OE2-NH1 3.37Å; E332-R373 IonicContact OE2-NH2 2.74Å
333H93.6Very high91.1Very high10 Ų1040.8 Ų40.85%0.04620%0.197CC..Hα-helixtrans-61.6-49.5175.6171.175.9000111.4A238 M267 R271 A329 L330 I331 M335 L336 A337A238-H333 HydrophobicContact CB-CB 4.45Å; M267-H333 VanDerWaalsContact CA-CE1 3.44Å; M267-H333 WeakPolarHBondContact CA-CE1 3.35Å; M267-H333 HydrophobicContact CE-CB 3.56Å; M267-H333 VanDerWaalsContact CE-CG 3.47Å; M267-H333 PolarHBondContact O-CE1 3.32Å; R271-H333 PolarHBondContact O-NE2 3.5Å; A329-H333 WeakPolarHBondContact O-CB 3.13Å; A329-H333 PolarHBondContact O-N 3.11Å; L330-H333 WeakPolarHBondContact O-CB 3.3Å; L330-H333 PolarHBondContact O-N 3.43Å; I331-H333 VanDerWaalsContact C-N 3.31Å; I331-H333 PolarHBondContact O-N 2.9Å; H333-M335 PolarHBondContact O-N 2.83Å; H333-L336 WeakPolarHBondContact O-CB 3.41Å; H333-L336 PolarHBondContact O-N 3.25Å; H333-L336 VanDerWaalsContact O-N 3.11Å; H333-A337 PolarHBondContact O-N 3.09Å
334N94.1Very high91.5Very high5 Ų541.9 Ų41.93%0.02721%0.205CC..Hα-helixtrans-63.7-30.3179.8-75.4-10.8000111.9L272 I273 L330 I331 A337 A338 L354L272-N334 HydrophobicContact CD2-CB 3.87Å; I273-N334 PolarHBondContact N-OD1 2.69Å; I273-N334 PolarHBondContact O-ND2 3.08Å; L330-N334 WeakPolarHBondContact O-CB 3.49Å; L330-N334 PolarHBondContact O-N 2.88Å; I331-N334 PolarHBondContact O-N 3.16Å; N334-A337 PolarHBondContact O-N 3.02Å; N334-A338 WeakPolarHBondContact O-CB 3.43Å; N334-A338 PolarHBondContact O-N 3.44Å; N334-L354 HydrophobicContact CB-CD2 3.31Å
335M95Very high91.9Very high0 Ų036.8 Ų36.80%018%0.183CC..Hα-helixtrans-67.6-40.3173.6-171.4168.7-75.700112.3I331 E332 H333 A338 S339 L350 L354 A361 I364 A365 M368 L374I331-M335 WeakPolarHBondContact O-CB 3.28Å; I331-M335 PolarHBondContact O-N 2.94Å; E332-M335 PolarHBondContact O-N 3.44Å; H333-M335 PolarHBondContact O-N 2.83Å; M335-A338 PolarHBondContact O-N 3.22Å; M335-S339 PolarHBondContact O-N 3.33Å; M335-S339 VanDerWaalsContact O-N 3.16Å; M335-L350 HydrophobicContact CE-CD2 4.38Å; M335-L354 HydrophobicContact CB-CD1 4.39Å; M335-L354 HydrophobicContact CB-CD2 4.47Å; M335-L354 HydrophobicContact CE-CD1 3.48Å; M335-L354 VanDerWaalsContact CE-CD1 3.48Å; M335-A361 WeakPolarHBondContact CE-O 3.48Å; M335-I364 HydrophobicContact CE-CB 3.97Å; M335-I364 HydrophobicContact CE-CG2 3.74Å; M335-I364 HydrophobicContact SD-CG2 3.9Å; M335-A365 HydrophobicContact CE-CB 3.8Å; M335-A365 WeakPolarHBondContact SD-CA 3.45Å; M335-A365 HydrophobicContact SD-CB 3.61Å; M335-M368 HydrophobicContact CB-SD 4.14Å; M335-M368 HydrophobicContact CG-SD 4.25Å; M335-M368 HydrophobicContact SD-SD 3.69Å; M335-M368 VanDerWaalsContact SD-SD 3.69Å; M335-L374 HydrophobicContact CG-CD2 3.82Å; M335-L374 HydrophobicContact SD-CD2 3.77Å
336L92.2Very high92.3Very high36 Ų3636.3 Ų36.319%0.18818%0.184CC..Hα-helixtrans-64.8-42.8170.4-66.7178.3000111.1A238 E332 H333 A338 S339 L340 M368 R373 L374A238-L336 HydrophobicContact CB-CD1 3.69Å; E332-L336 PolarHBondContact O-N 2.83Å; E332-L336 VanDerWaalsContact O-N 3.13Å; H333-L336 WeakPolarHBondContact O-CB 3.41Å; H333-L336 PolarHBondContact O-N 3.25Å; H333-L336 VanDerWaalsContact O-N 3.11Å; L336-A338 VanDerWaalsContact C-N 3.33Å; L336-A338 PolarHBondContact O-N 2.89Å; L336-S339 PolarHBondContact O-N 3.25Å; L336-S339 VanDerWaalsContact O-N 3.15Å; L336-S339 PolarHBondContact O-OG 2.95Å; L336-L340 PolarHBondContact O-N 3.39Å; L336-M368 HydrophobicContact CD1-CE 4.24Å; L336-M368 HydrophobicContact CD2-CE 3.81Å; L336-M368 HydrophobicContact CG-CE 3.72Å; L336-R373 VanDerWaalsContact CD2-O 3.29Å; L336-R373 WeakPolarHBondContact CD2-O 3.42Å; L336-L374 HydrophobicContact CD2-CB 4.36Å; L336-L374 HydrophobicContact CD2-CD1 4.01Å
337A91.1Very high92.6Very high1 Ų136.7 Ų36.71%0.00819%0.186CC..Hα-helixtrans-59.8-42.7176.400000111.8G270 L272 H333 N334 S339 L340 I341G270-A337 VanDerWaalsContact O-CB 3.29Å; G270-A337 WeakPolarHBondContact O-CB 3.36Å; L272-A337 HydrophobicContact CD2-CB 4.12Å; L272-A337 HydrophobicContact CG-CB 4.16Å; H333-A337 PolarHBondContact O-N 3.09Å; N334-A337 PolarHBondContact O-N 3.02Å; A337-S339 VanDerWaalsContact C-N 3.29Å; A337-S339 PolarHBondContact O-N 3.34Å; A337-L340 WeakPolarHBondContact O-CB 3.48Å; A337-L340 PolarHBondContact O-N 3.39Å; A337-L340 VanDerWaalsContact O-N 3.07Å; A337-I341 WeakPolarHBondContact O-CG1 3.31Å; A337-I341 PolarHBondContact O-N 3.01Å
338A92Very high92.9Very high0 Ų041.2 Ų41.20%021%0.207CC..Hα-helixtrans-60-38.8175.900000111.9N334 M335 L336 L340 I341 Y342 L350 L353 F387N334-A338 WeakPolarHBondContact O-CB 3.43Å; N334-A338 PolarHBondContact O-N 3.44Å; M335-A338 PolarHBondContact O-N 3.22Å; L336-A338 VanDerWaalsContact C-N 3.33Å; L336-A338 PolarHBondContact O-N 2.89Å; A338-L340 PolarHBondContact O-N 3.47Å; A338-I341 PolarHBondContact O-N 3.16Å; A338-Y342 HydrophobicContact CB-CD2 4.49Å; A338-Y342 PolarHBondContact O-N 2.99Å; A338-L350 HydrophobicContact CB-CD1 4.02Å; A338-L353 HydrophobicContact CB-CD2 3.88Å; A338-F387 HydrophobicContact CB-CZ 4.48Å
339S90.6Very high93.1Very high20 Ų2042.2 Ų42.214%0.1422%0.217CC..Hα-helixtrans-68.2-14.5177.171.50000114.7M335 L336 A337M335-S339 PolarHBondContact O-N 3.33Å; M335-S339 VanDerWaalsContact O-N 3.16Å; L336-S339 PolarHBondContact O-N 3.25Å; L336-S339 VanDerWaalsContact O-N 3.15Å; L336-S339 PolarHBondContact O-OG 2.95Å; A337-S339 VanDerWaalsContact C-N 3.29Å; A337-S339 PolarHBondContact O-N 3.34Å
340L86.9Confident93.2Very high126 Ų12642.1 Ų42.166%0.6622%0.216SC*.Hα-helixtrans-88-19.1172.1-60.6174.3000112.9L336 A337 A338L336-L340 PolarHBondContact O-N 3.39Å; A337-L340 WeakPolarHBondContact O-CB 3.48Å; A337-L340 PolarHBondContact O-N 3.39Å; A337-L340 VanDerWaalsContact O-N 3.07Å; A338-L340 PolarHBondContact O-N 3.47Å
341I85.5Confident93.4Very high97 Ų9741.7 Ų41.750%0.49722%0.215SC..Hα-helixtrans-101.7-37.5-174-59.9164.7000110.8L272 A337 A338L272-I341 HydrophobicContact CD1-CD1 3.72Å; L272-I341 HydrophobicContact CG-CD1 4.13Å; A337-I341 WeakPolarHBondContact O-CG1 3.31Å; A337-I341 PolarHBondContact O-N 3.01Å; A338-I341 PolarHBondContact O-N 3.16Å
342Y89.8Confident93.4Very high91 Ų9147 Ų4736%0.35724%0.243SC..  trans-111.8138-174.4-65-83.1000110.9A338 I345 L353 F387A338-Y342 HydrophobicContact CB-CD2 4.49Å; A338-Y342 PolarHBondContact O-N 2.99Å; Y342-I345 HydrophobicContact CD1-CB 4.5Å; Y342-I345 HydrophobicContact CD1-CD1 4.48Å; Y342-I345 HydrophobicContact CD2-CD1 4.23Å; Y342-I345 HydrophobicContact CE1-CD1 4.39Å; Y342-I345 HydrophobicContact CE2-CD1 4.13Å; Y342-I345 HydrophobicContact CG-CB 4.36Å; Y342-I345 HydrophobicContact CG-CD1 4.41Å; Y342-L353 HydrophobicContact CD2-CD2 4.49Å; Y342-L353 HydrophobicContact CE2-CD2 3.85Å; Y342-F387 VanDerWaalsContact O-CD2 3.27Å; Y342-F387 WeakPolarHBondContact O-CD2 3.37Å
343N90.2Very high93.3Very high99 Ų9949.3 Ų49.353%0.52926%0.255SS..SBendtrans-76.5-33.4163.8-65.2-28.8000110.9F387 N389N343-F387 PolarHBondContact O-N 2.74Å; N343-N389 PolarHBondContact OD1-ND2 3.42Å
344N93.2Very high93.3Very high84 Ų8449 Ų4945%0.44925%0.253SS..EExtended strand (participates in β ladder)trans-154.9156.1173.45663.6000110.3V384 I385N344-V384 HydrophobicContact CB-CG1 4.1Å; N344-I385 WeakPolarHBondContact CA-O 3.46Å; N344-I385 VanDerWaalsContact CB-O 3.29Å; N344-I385 WeakPolarHBondContact CB-O 3.34Å
345I95.9Very high93.3Very high14 Ų1452.6 Ų52.67%0.07227%0.27CS..EExtended strand (participates in β ladder)trans-154.3144177.9-171.7170000109.2Y342 N349 L350 L353 I385 F387Y342-I345 HydrophobicContact CD1-CB 4.5Å; Y342-I345 HydrophobicContact CD1-CD1 4.48Å; Y342-I345 HydrophobicContact CD2-CD1 4.23Å; Y342-I345 HydrophobicContact CE1-CD1 4.39Å; Y342-I345 HydrophobicContact CE2-CD1 4.13Å; Y342-I345 HydrophobicContact CG-CB 4.36Å; Y342-I345 HydrophobicContact CG-CD1 4.41Å; I345-N349 HydrophobicContact CD1-CB 4.04Å; I345-N349 HydrophobicContact CG1-CB 3.82Å; I345-L350 HydrophobicContact CD1-CB 4.29Å; I345-L350 HydrophobicContact CG1-CB 4.43Å; I345-L350 HydrophobicContact CG2-CB 4.02Å; I345-L350 HydrophobicContact CG2-CD1 4.16Å; I345-L350 HydrophobicContact CG2-CD2 4.44Å; I345-L350 HydrophobicContact CG2-CG 4.44Å; I345-L353 HydrophobicContact CD1-CD2 4.29Å; I345-I385 HydrophobicContact CG2-CG2 3.44Å; I345-I385 VanDerWaalsContact CG2-CG2 3.44Å; I345-I385 PolarHBondContact N-O 2.68Å; I345-I385 VanDerWaalsContact N-O 3.1Å; I345-I385 WeakPolarHBondContact O-CG2 3.15Å; I345-I385 PolarHBondContact O-N 3.21Å; I345-F387 HydrophobicContact CG2-CE2 3.65Å; I345-F387 HydrophobicContact CG2-CZ 4.19Å
346S97.3Very high93.3Very high36 Ų3654 Ų5425%0.25228%0.277SS..EExtended strand (participates in β ladder)trans-67.6147.8172.163.30000110.6E348 N349 L350 G383S346-E348 PolarHBondContact O-N 3.36Å; S346-N349 PolarHBondContact O-N 2.87Å; S346-N349 VanDerWaalsContact O-N 3.17Å; S346-N349 WeakPolarHBondContact OG-CB 3.44Å; S346-N349 PolarHBondContact OG-N 3.12Å; S346-N349 PolarHBondContact OG-ND2 2.78Å; S346-L350 WeakPolarHBondContact O-CB 3.38Å; S346-L350 PolarHBondContact O-N 3.4Å; S346-G383 CarbonylContact C-O 3.59Å; S346-G383 WeakPolarHBondContact CA-O 3.42Å
347L96.9Very high93.5Very high11 Ų1154.8 Ų54.86%0.05829%0.285CS..Hα-helixtrans-60.6-31.6178.7-67.6172.4000112.1L350 G351 A358 E362 L378 G383L347-L350 HydrophobicContact CD2-CD2 4.5Å; L347-G351 PolarHBondContact O-N 3.02Å; L347-A358 HydrophobicContact CB-CB 4.43Å; L347-E362 HydrophobicContact CD1-CB 3.95Å; L347-E362 HydrophobicContact CD1-CG 3.82Å; L347-E362 HydrophobicContact CD2-CB 4.06Å; L347-E362 HydrophobicContact CD2-CG 4.34Å; L347-L378 HydrophobicContact CD2-CD2 3.85Å; L347-G383 WeakPolarHBondContact CG-O 3.38Å; L347-G383 PolarHBondContact N-O 3.39Å
348E96.3Very high93.7Very high140 Ų14056.3 Ų56.365%0.65430%0.298SS*.Hα-helixtrans-62.9-51.8173.1-172.6178.4-172.600111.8S346 L350 G351 L352S346-E348 PolarHBondContact O-N 3.36Å; E348-L350 VanDerWaalsContact C-N 3.32Å; E348-L350 PolarHBondContact O-N 2.89Å; E348-G351 PolarHBondContact O-N 2.85Å; E348-L352 WeakPolarHBondContact O-CG 3.47Å; E348-L352 PolarHBondContact O-N 3.33Å
349N96.9Very high93.9Very high88 Ų8862.2 Ų62.247%0.47133%0.33SS..Hα-helixtrans-68.4-33.2178.7-73.8-32000112.1I345 S346 L352 L353I345-N349 HydrophobicContact CD1-CB 4.04Å; I345-N349 HydrophobicContact CG1-CB 3.82Å; S346-N349 PolarHBondContact O-N 2.87Å; S346-N349 VanDerWaalsContact O-N 3.17Å; S346-N349 WeakPolarHBondContact OG-CB 3.44Å; S346-N349 PolarHBondContact OG-N 3.12Å; S346-N349 PolarHBondContact OG-ND2 2.78Å; N349-L352 PolarHBondContact O-N 3.09Å; N349-L353 WeakPolarHBondContact O-CB 3.25Å; N349-L353 PolarHBondContact O-N 3.02Å
350L96.3Very high94.1Very high0 Ų066.1 Ų66.10%035%0.346CS..Hα-helixtrans-65.3-43.8173.4-176.562.1000111M335 A338 I345 S346 L347 E348 L352 L353 L354 A361 I385M335-L350 HydrophobicContact CE-CD2 4.38Å; A338-L350 HydrophobicContact CB-CD1 4.02Å; I345-L350 HydrophobicContact CD1-CB 4.29Å; I345-L350 HydrophobicContact CG1-CB 4.43Å; I345-L350 HydrophobicContact CG2-CB 4.02Å; I345-L350 HydrophobicContact CG2-CD1 4.16Å; I345-L350 HydrophobicContact CG2-CD2 4.44Å; I345-L350 HydrophobicContact CG2-CG 4.44Å; S346-L350 WeakPolarHBondContact O-CB 3.38Å; S346-L350 PolarHBondContact O-N 3.4Å; L347-L350 HydrophobicContact CD2-CD2 4.5Å; E348-L350 VanDerWaalsContact C-N 3.32Å; E348-L350 PolarHBondContact O-N 2.89Å; L350-L352 VanDerWaalsContact C-N 3.34Å; L350-L352 PolarHBondContact O-N 3.48Å; L350-L353 WeakPolarHBondContact O-CB 3.41Å; L350-L353 PolarHBondContact O-N 3.46Å; L350-L354 HydrophobicContact CD1-CD1 3.86Å; L350-L354 HydrophobicContact CD1-CG 4Å; L350-L354 HydrophobicContact CD2-CD1 4.46Å; L350-L354 HydrophobicContact CG-CD1 3.81Å; L350-L354 HydrophobicContact CG-CG 4.27Å; L350-L354 WeakPolarHBondContact O-CB 3.17Å; L350-L354 WeakPolarHBondContact O-CG 3.29Å; L350-L354 PolarHBondContact O-N 3.02Å; L350-A361 HydrophobicContact CD2-CB 4.32Å; L350-A361 HydrophobicContact CG-CB 4.25Å; L350-I385 HydrophobicContact CD2-CG2 3.99Å
351G96.3Very high94.5Very high1 Ų160.1 Ų60.11%0.0132%0.315CS..Hα-helixtrans-56.5-47.8173.700000111.7L347 E348 L353 L354 E355 I356L347-G351 PolarHBondContact O-N 3.02Å; E348-G351 PolarHBondContact O-N 2.85Å; G351-L353 VanDerWaalsContact C-N 3.34Å; G351-L353 PolarHBondContact O-N 3.42Å; G351-L354 CarbonylContact O-C 3.27Å; G351-L354 PolarHBondContact O-N 3.38Å; G351-E355 PolarHBondContact O-N 2.85Å; G351-I356 CarbonylContact C-O 3.52Å; G351-I356 VanDerWaalsContact CA-O 3.24Å; G351-I356 WeakPolarHBondContact CA-O 3.3Å; G351-I356 PolarHBondContact O-N 3.44Å
352L95.2Very high95Very high127 Ų12757.7 Ų57.767%0.66530%0.301SS*.Hα-helixtrans-59.1-43175.3-66.8175.7000112.4E348 N349 L350 L354 E355E348-L352 WeakPolarHBondContact O-CG 3.47Å; E348-L352 PolarHBondContact O-N 3.33Å; N349-L352 PolarHBondContact O-N 3.09Å; L350-L352 VanDerWaalsContact C-N 3.34Å; L350-L352 PolarHBondContact O-N 3.48Å; L352-L354 VanDerWaalsContact C-N 3.31Å; L352-L354 PolarHBondContact O-N 2.63Å; L352-E355 PolarHBondContact O-N 3.49Å
353L93.8Very high95.3Very high50 Ų5057 Ų5726%0.26231%0.31SS..Hα-helixtrans-64.8-34.9178.5-172.866.4000112.9L272 A338 Y342 I345 N349 L350 G351L272-L353 HydrophobicContact CD1-CD1 3.72Å; L272-L353 HydrophobicContact CD1-CD2 4.27Å; L272-L353 HydrophobicContact CD1-CG 4.24Å; L272-L353 HydrophobicContact CD2-CD1 4.41Å; L272-L353 HydrophobicContact CD2-CD2 4.26Å; L272-L353 HydrophobicContact CD2-CG 4.12Å; A338-L353 HydrophobicContact CB-CD2 3.88Å; Y342-L353 HydrophobicContact CD2-CD2 4.49Å; Y342-L353 HydrophobicContact CE2-CD2 3.85Å; I345-L353 HydrophobicContact CD1-CD2 4.29Å; N349-L353 WeakPolarHBondContact O-CB 3.25Å; N349-L353 PolarHBondContact O-N 3.02Å; L350-L353 WeakPolarHBondContact O-CB 3.41Å; L350-L353 PolarHBondContact O-N 3.46Å; G351-L353 VanDerWaalsContact C-N 3.34Å; G351-L353 PolarHBondContact O-N 3.42Å
354L94.4Very high95.5Very high4 Ų453.2 Ų53.22%0.02129%0.289CS..Hα-helixtrans-91-2.2-179.1-62.6-179.2000113.2I331 N334 M335 L350 G351 L352 I356 A361I331-L354 HydrophobicContact CG2-CD1 4.26Å; N334-L354 HydrophobicContact CB-CD2 3.31Å; M335-L354 HydrophobicContact CB-CD1 4.39Å; M335-L354 HydrophobicContact CB-CD2 4.47Å; M335-L354 HydrophobicContact CE-CD1 3.48Å; M335-L354 VanDerWaalsContact CE-CD1 3.48Å; L350-L354 HydrophobicContact CD1-CD1 3.86Å; L350-L354 HydrophobicContact CD1-CG 4Å; L350-L354 HydrophobicContact CD2-CD1 4.46Å; L350-L354 HydrophobicContact CG-CD1 3.81Å; L350-L354 HydrophobicContact CG-CG 4.27Å; L350-L354 WeakPolarHBondContact O-CB 3.17Å; L350-L354 WeakPolarHBondContact O-CG 3.29Å; L350-L354 PolarHBondContact O-N 3.02Å; G351-L354 CarbonylContact O-C 3.27Å; G351-L354 PolarHBondContact O-N 3.38Å; L352-L354 VanDerWaalsContact C-N 3.31Å; L352-L354 PolarHBondContact O-N 2.63Å; L354-I356 HydrophobicContact CB-CD1 4.01Å; L354-I356 HydrophobicContact CB-CG1 3.74Å; L354-I356 HydrophobicContact CD1-CD1 4.11Å; L354-A361 HydrophobicContact CD1-CB 4.31Å
355E93.7Very high95.6Very high80 Ų8049.2 Ų49.237%0.37427%0.268SS..THydrogen-bonded Turntrans55.844.1-174-53.5178.5-151.400113.3R275 G351 L352R275-E355 WeakPolarHBondContact CB-OE2 3.34Å; R275-E355 PolarHBondContact N-OE1 3.24Å; R275-E355 IonicContact NE-OE2 3.12Å; R275-E355 PolarHBondContact NH2-O 2.91Å; G351-E355 PolarHBondContact O-N 2.85Å; L352-E355 PolarHBondContact O-N 3.49Å
356I95.1Very high95.6Very high28 Ų2851.2 Ų51.214%0.14428%0.283CS..SBendtrans-141.6172.9177.258.5175.1000111.2I331 G351 L354 E360 A361 I364I331-I356 HydrophobicContact CD1-CG2 3.59Å; I331-I356 HydrophobicContact CG1-CG2 4.14Å; I331-I356 HydrophobicContact CG2-CD1 3.77Å; G351-I356 CarbonylContact C-O 3.52Å; G351-I356 VanDerWaalsContact CA-O 3.24Å; G351-I356 WeakPolarHBondContact CA-O 3.3Å; G351-I356 PolarHBondContact O-N 3.44Å; L354-I356 HydrophobicContact CB-CD1 4.01Å; L354-I356 HydrophobicContact CB-CG1 3.74Å; L354-I356 HydrophobicContact CD1-CD1 4.11Å; I356-E360 HydrophobicContact CB-CB 4.26Å; I356-E360 HydrophobicContact CD1-CB 4.04Å; I356-E360 HydrophobicContact CG1-CB 4.45Å; I356-A361 HydrophobicContact CD1-CB 3.94Å; I356-A361 HydrophobicContact CG1-CB 4.26Å; I356-I364 HydrophobicContact CD1-CD1 4Å
357S96.3Very high95.5Very high53 Ų5353 Ų5337%0.37129%0.288SS..  trans-70.9156.4174.867.30000112.4N359 E360 A361S357-N359 VanDerWaalsContact C-N 3.27Å; S357-N359 PolarHBondContact O-N 2.93Å; S357-E360 WeakPolarHBondContact CB-OE2 3.33Å; S357-E360 PolarHBondContact N-OE2 3.19Å; S357-E360 PolarHBondContact O-N 3.26Å; S357-E360 WeakPolarHBondContact OG-CB 3.22Å; S357-E360 WeakPolarHBondContact OG-CG 3.34Å; S357-E360 PolarHBondContact OG-N 3.34Å; S357-E360 PolarHBondContact OG-OE2 3.42Å; S357-A361 PolarHBondContact O-N 3.49Å
358A95.5Very high95.3Very high34 Ų3452.5 Ų52.528%0.28129%0.285SS..Hα-helixtrans-57.7-39.7176.400000112.4L347 A361 E362L347-A358 HydrophobicContact CB-CB 4.43Å; A358-A361 PolarHBondContact O-N 2.9Å; A358-E362 PolarHBondContact O-N 3.24Å
359N95.4Very high95.2Very high124 Ų12448.1 Ų48.166%0.66327%0.265SS*.Hα-helixtrans-65.8-39.8178.4-64.1-15.3000111.9S357 S363S357-N359 VanDerWaalsContact C-N 3.27Å; S357-N359 PolarHBondContact O-N 2.93Å; N359-S363 WeakPolarHBondContact O-CB 3.48Å; N359-S363 PolarHBondContact O-N 3.02Å
360E95.1Very high95Very high102 Ų10248.5 Ų48.548%0.47728%0.275SS..Hα-helixtrans-67.7-40.7174.6-72.8166.1146.200111.3I356 S357 E362 S363 I364I356-E360 HydrophobicContact CB-CB 4.26Å; I356-E360 HydrophobicContact CD1-CB 4.04Å; I356-E360 HydrophobicContact CG1-CB 4.45Å; S357-E360 WeakPolarHBondContact CB-OE2 3.33Å; S357-E360 PolarHBondContact N-OE2 3.19Å; S357-E360 PolarHBondContact O-N 3.26Å; S357-E360 WeakPolarHBondContact OG-CB 3.22Å; S357-E360 WeakPolarHBondContact OG-CG 3.34Å; S357-E360 PolarHBondContact OG-N 3.34Å; S357-E360 PolarHBondContact OG-OE2 3.42Å; E360-E362 VanDerWaalsContact C-N 3.34Å; E360-E362 PolarHBondContact O-N 3.13Å; E360-S363 PolarHBondContact O-N 3.48Å; E360-I364 WeakPolarHBondContact O-CB 3.37Å; E360-I364 VanDerWaalsContact O-CG1 3.29Å; E360-I364 WeakPolarHBondContact O-CG1 3.39Å; E360-I364 PolarHBondContact O-N 2.88Å
361A96.2Very high94.7Very high0 Ų053 Ų530%030%0.296CS..Hα-helixtrans-60.8-43.217600000111.7M335 L350 L354 I356 S357 A358 A365M335-A361 WeakPolarHBondContact CE-O 3.48Å; L350-A361 HydrophobicContact CD2-CB 4.32Å; L350-A361 HydrophobicContact CG-CB 4.25Å; L354-A361 HydrophobicContact CD1-CB 4.31Å; I356-A361 HydrophobicContact CD1-CB 3.94Å; I356-A361 HydrophobicContact CG1-CB 4.26Å; S357-A361 PolarHBondContact O-N 3.49Å; A358-A361 PolarHBondContact O-N 2.9Å; A361-A365 VanDerWaalsContact O-CB 3.22Å; A361-A365 WeakPolarHBondContact O-CB 3.24Å; A361-A365 PolarHBondContact O-N 3.3Å
362E96.1Very high94.3Very high45 Ų4555.6 Ų55.621%0.2132%0.323CS..Hα-helixtrans-60.5-50174.2-168.4-169.2156.700111.8L347 A358 E360 I364 A365 S366 L378 Q380L347-E362 HydrophobicContact CD1-CB 3.95Å; L347-E362 HydrophobicContact CD1-CG 3.82Å; L347-E362 HydrophobicContact CD2-CB 4.06Å; L347-E362 HydrophobicContact CD2-CG 4.34Å; A358-E362 PolarHBondContact O-N 3.24Å; E360-E362 VanDerWaalsContact C-N 3.34Å; E360-E362 PolarHBondContact O-N 3.13Å; E362-I364 PolarHBondContact O-N 3.44Å; E362-A365 PolarHBondContact O-N 3.01Å; E362-S366 VanDerWaalsContact O-CB 3.3Å; E362-S366 WeakPolarHBondContact O-CB 3.4Å; E362-S366 PolarHBondContact O-N 3.39Å; E362-L378 HydrophobicContact CG-CD2 4.43Å; E362-Q380 WeakPolarHBondContact OE1-CG 3.48Å; E362-Q380 PolarHBondContact OE1-NE2 3.02Å
363S96Very high93.9Very high78 Ų7851.8 Ų51.855%0.54530%0.3SS..Hα-helixtrans-58.7-46.4-179-178.60000111.7N359 E360 S366 Q367N359-S363 WeakPolarHBondContact O-CB 3.48Å; N359-S363 PolarHBondContact O-N 3.02Å; E360-S363 PolarHBondContact O-N 3.48Å; S363-S366 PolarHBondContact O-N 3.43Å; S363-Q367 WeakPolarHBondContact O-CB 3.12Å; S363-Q367 PolarHBondContact O-N 3.22Å
364I94.4Very high93.7Very high18 Ų1849.6 Ų49.69%0.09229%0.288CS..Hα-helixtrans-67.6-41.8179.1-66.5170.6000111R328 I331 M335 I356 E360 E362 Q367 M368R328-I364 VanDerWaalsContact NH1-CG2 3.28Å; I331-I364 HydrophobicContact CG2-CD1 3.61Å; I331-I364 HydrophobicContact CG2-CG2 4.31Å; M335-I364 HydrophobicContact CE-CB 3.97Å; M335-I364 HydrophobicContact CE-CG2 3.74Å; M335-I364 HydrophobicContact SD-CG2 3.9Å; I356-I364 HydrophobicContact CD1-CD1 4Å; E360-I364 WeakPolarHBondContact O-CB 3.37Å; E360-I364 VanDerWaalsContact O-CG1 3.29Å; E360-I364 WeakPolarHBondContact O-CG1 3.39Å; E360-I364 PolarHBondContact O-N 2.88Å; E362-I364 PolarHBondContact O-N 3.44Å; I364-Q367 PolarHBondContact O-N 2.91Å; I364-M368 HydrophobicContact CG2-CG 4.35Å; I364-M368 HydrophobicContact CG2-SD 4.04Å; I364-M368 WeakPolarHBondContact O-CG 3.35Å; I364-M368 PolarHBondContact O-N 3.37Å
365A95.7Very high93.5Very high0 Ų052.6 Ų52.60%030%0.303CS..Hα-helixtrans-62.6-4517700000111.8M335 A361 E362 Q367 M368 I369 L374 L378 I385M335-A365 HydrophobicContact CE-CB 3.8Å; M335-A365 WeakPolarHBondContact SD-CA 3.45Å; M335-A365 HydrophobicContact SD-CB 3.61Å; A361-A365 VanDerWaalsContact O-CB 3.22Å; A361-A365 WeakPolarHBondContact O-CB 3.24Å; A361-A365 PolarHBondContact O-N 3.3Å; E362-A365 PolarHBondContact O-N 3.01Å; A365-Q367 VanDerWaalsContact C-N 3.34Å; A365-Q367 PolarHBondContact O-N 3.37Å; A365-M368 PolarHBondContact O-N 2.89Å; A365-I369 WeakPolarHBondContact O-CB 3.32Å; A365-I369 WeakPolarHBondContact O-CD1 3.32Å; A365-I369 VanDerWaalsContact O-CG1 3.25Å; A365-I369 WeakPolarHBondContact O-CG1 3.5Å; A365-I369 PolarHBondContact O-N 3.33Å; A365-L374 HydrophobicContact CB-CD2 4.23Å; A365-L378 HydrophobicContact CB-CD1 4.25Å; A365-L378 HydrophobicContact CB-CD2 4.32Å; A365-I385 HydrophobicContact CB-CD1 3.82Å
366S95Very high93.4Very high56 Ų5649.2 Ų49.239%0.39229%0.29SS..Hα-helixtrans-58.5-46.9176.4-176.40000111E362 S363 I369 S370E362-S366 VanDerWaalsContact O-CB 3.3Å; E362-S366 WeakPolarHBondContact O-CB 3.4Å; E362-S366 PolarHBondContact O-N 3.39Å; S363-S366 PolarHBondContact O-N 3.43Å; S366-I369 PolarHBondContact O-N 2.91Å; S366-S370 WeakPolarHBondContact O-CB 3.07Å; S366-S370 PolarHBondContact O-N 2.93Å; S366-S370 PolarHBondContact O-OG 2.82Å
367Q94.6Very high93.3Very high75 Ų7554.2 Ų54.235%0.3531%0.311SS..Hα-helixtrans-59-50.8175.1-176.1-178.4-1.100111.5S363 I364 A365 I369 S370 E371S363-Q367 WeakPolarHBondContact O-CB 3.12Å; S363-Q367 PolarHBondContact O-N 3.22Å; I364-Q367 PolarHBondContact O-N 2.91Å; A365-Q367 VanDerWaalsContact C-N 3.34Å; A365-Q367 PolarHBondContact O-N 3.37Å; Q367-I369 VanDerWaalsContact C-N 3.29Å; Q367-I369 PolarHBondContact O-N 3.36Å; Q367-S370 PolarHBondContact O-N 3.32Å; Q367-S370 VanDerWaalsContact O-N 3.15Å; Q367-S370 PolarHBondContact O-OG 3.29Å; Q367-E371 HydrophobicContact CG-CG 4.44Å; Q367-E371 VanDerWaalsContact CG-OE1 3.29Å; Q367-E371 WeakPolarHBondContact CG-OE1 3.44Å; Q367-E371 PolarHBondContact NE2-OE1 3.47Å; Q367-E371 WeakPolarHBondContact O-CG 3.47Å; Q367-E371 PolarHBondContact O-N 3.19Å
368M93.8Very high93.2Very high0 Ų053.8 Ų53.80%030%0.304CS..Hα-helixtrans-65.1-31.8-177.6-69.7-175.16700113.2E332 M335 L336 I364 A365 G372 R373 L374E332-M368 HydrophobicContact CB-CE 4.04Å; E332-M368 HydrophobicContact CB-SD 3.78Å; E332-M368 HydrophobicContact CG-SD 3.84Å; E332-M368 WeakPolarHBondContact O-CE 3.48Å; M335-M368 HydrophobicContact CB-SD 4.14Å; M335-M368 HydrophobicContact CG-SD 4.25Å; M335-M368 HydrophobicContact SD-SD 3.69Å; M335-M368 VanDerWaalsContact SD-SD 3.69Å; L336-M368 HydrophobicContact CD1-CE 4.24Å; L336-M368 HydrophobicContact CD2-CE 3.81Å; L336-M368 HydrophobicContact CG-CE 3.72Å; I364-M368 HydrophobicContact CG2-CG 4.35Å; I364-M368 HydrophobicContact CG2-SD 4.04Å; I364-M368 WeakPolarHBondContact O-CG 3.35Å; I364-M368 PolarHBondContact O-N 3.37Å; A365-M368 PolarHBondContact O-N 2.89Å; M368-G372 PolarHBondContact O-N 3.07Å; M368-R373 HydrophobicContact CE-CB 4.43Å; M368-R373 PolarHBondContact O-N 2.65Å; M368-L374 HydrophobicContact CB-CB 3.64Å; M368-L374 HydrophobicContact CB-CD2 4.23Å; M368-L374 HydrophobicContact CE-CB 4.49Å; M368-L374 PolarHBondContact O-N 2.97Å
369I93.4Very high93.1Very high48 Ų4854.8 Ų54.825%0.24631%0.305CS..Hα-helixtrans-68.1-47.7172.1-69.1163.3000110.1A365 S366 Q367 E371 G372 L374 L378 I385A365-I369 WeakPolarHBondContact O-CB 3.32Å; A365-I369 WeakPolarHBondContact O-CD1 3.32Å; A365-I369 VanDerWaalsContact O-CG1 3.25Å; A365-I369 WeakPolarHBondContact O-CG1 3.5Å; A365-I369 PolarHBondContact O-N 3.33Å; S366-I369 PolarHBondContact O-N 2.91Å; Q367-I369 VanDerWaalsContact C-N 3.29Å; Q367-I369 PolarHBondContact O-N 3.36Å; I369-E371 PolarHBondContact O-N 2.88Å; I369-G372 PolarHBondContact O-N 2.94Å; I369-L374 WeakPolarHBondContact CA-O 3.35Å; I369-L374 HydrophobicContact CD1-CD2 4.39Å; I369-L374 HydrophobicContact CG1-CB 4.14Å; I369-L374 HydrophobicContact CG1-CD2 3.98Å; I369-L374 HydrophobicContact CG1-CG 4.05Å; I369-L378 HydrophobicContact CD1-CD1 4.06Å; I369-L378 HydrophobicContact CD1-CG 4.04Å; I369-I385 HydrophobicContact CD1-CD1 4.15Å
370S92.4Very high92.8Very high96 Ų9655.5 Ų55.567%0.67130%0.304SS*.Hα-helixtrans-61-33.5179.676.10000113S366 Q367 G372S366-S370 WeakPolarHBondContact O-CB 3.07Å; S366-S370 PolarHBondContact O-N 2.93Å; S366-S370 PolarHBondContact O-OG 2.82Å; Q367-S370 PolarHBondContact O-N 3.32Å; Q367-S370 VanDerWaalsContact O-N 3.15Å; Q367-S370 PolarHBondContact O-OG 3.29Å; S370-G372 VanDerWaalsContact C-N 3.28Å; S370-G372 PolarHBondContact O-N 2.93Å
371E90.2Very high92.4Very high94 Ų9458.3 Ų58.344%0.43932%0.321SS..THydrogen-bonded Turntrans-81.9-2.8176.2-67.8172.6-179.200113.2Q367 I369 R373Q367-E371 HydrophobicContact CG-CG 4.44Å; Q367-E371 VanDerWaalsContact CG-OE1 3.29Å; Q367-E371 WeakPolarHBondContact CG-OE1 3.44Å; Q367-E371 PolarHBondContact NE2-OE1 3.47Å; Q367-E371 WeakPolarHBondContact O-CG 3.47Å; Q367-E371 PolarHBondContact O-N 3.19Å; I369-E371 PolarHBondContact O-N 2.88Å; E371-R373 HydrophobicContact CB-CG 4.2Å; E371-R373 PolarHBondContact O-N 3.39Å; E371-R373 IonicContact OE2-CZ 2.87Å; E371-R373 IonicContact OE2-NE 3.54Å; E371-R373 PolarHBondContact OE2-NE 3.3Å; E371-R373 IonicContact OE2-NH2 2.76Å; E371-R373 PolarHBondContact OE2-NH2 3.04Å
372G87.5Confident92.2Very high56 Ų5664.1 Ų64.158%0.57735%0.352SS*.THydrogen-bonded Turntrans70.913.4-179.500000114.7M368 I369 S370M368-G372 PolarHBondContact O-N 3.07Å; I369-G372 PolarHBondContact O-N 2.94Å; S370-G372 VanDerWaalsContact C-N 3.28Å; S370-G372 PolarHBondContact O-N 2.93Å
373R87.6Confident92.2Very high47 Ų4763 Ų6318%0.17735%0.352CS..SBendtrans-84.2-32.3179.1-60.5-172.6-63132.6-16.3111.9A238 E332 L336 M368 E371A238-R373 VanDerWaalsContact O-CD 3.3Å; A238-R373 WeakPolarHBondContact O-CD 3.06Å; A238-R373 PolarHBondContact O-NH1 2.87Å; E332-R373 VanDerWaalsContact CD-NH1 3.25Å; E332-R373 IonicContact OE1-CZ 3.09Å; E332-R373 IonicContact OE1-NH1 3.69Å; E332-R373 IonicContact OE1-NH2 2.7Å; E332-R373 PolarHBondContact OE1-NH2 3.4Å; E332-R373 IonicContact OE2-CZ 3.76Å; E332-R373 IonicContact OE2-NH1 3.95Å; E332-R373 PolarHBondContact OE2-NH1 3.37Å; E332-R373 IonicContact OE2-NH2 2.74Å; L336-R373 VanDerWaalsContact CD2-O 3.29Å; L336-R373 WeakPolarHBondContact CD2-O 3.42Å; M368-R373 HydrophobicContact CE-CB 4.43Å; M368-R373 PolarHBondContact O-N 2.65Å; E371-R373 HydrophobicContact CB-CG 4.2Å; E371-R373 PolarHBondContact O-N 3.39Å; E371-R373 IonicContact OE2-CZ 2.87Å; E371-R373 IonicContact OE2-NE 3.54Å; E371-R373 PolarHBondContact OE2-NE 3.3Å; E371-R373 IonicContact OE2-NH2 2.76Å; E371-R373 PolarHBondContact OE2-NH2 3.04Å
374L90.5Very high92.1Very high4 Ų460.7 Ų60.72%0.02134%0.335CS..SBendtrans-113134175.8-179.566.1000109.4M335 L336 A365 M368 I369 I385 F387M335-L374 HydrophobicContact CG-CD2 3.82Å; M335-L374 HydrophobicContact SD-CD2 3.77Å; L336-L374 HydrophobicContact CD2-CB 4.36Å; L336-L374 HydrophobicContact CD2-CD1 4.01Å; A365-L374 HydrophobicContact CB-CD2 4.23Å; M368-L374 HydrophobicContact CB-CB 3.64Å; M368-L374 HydrophobicContact CB-CD2 4.23Å; M368-L374 HydrophobicContact CE-CB 4.49Å; M368-L374 PolarHBondContact O-N 2.97Å; I369-L374 WeakPolarHBondContact CA-O 3.35Å; I369-L374 HydrophobicContact CD1-CD2 4.39Å; I369-L374 HydrophobicContact CG1-CB 4.14Å; I369-L374 HydrophobicContact CG1-CD2 3.98Å; I369-L374 HydrophobicContact CG1-CG 4.05Å; L374-I385 HydrophobicContact CD2-CD1 4.15Å; L374-F387 HydrophobicContact CD1-CD1 4.05Å; L374-F387 HydrophobicContact CD1-CE1 3.93Å; L374-F387 HydrophobicContact CD2-CE1 4.19Å; L374-F387 HydrophobicContact CG-CE1 4.44Å
375I89.2Confident92.2Very high66 Ų6659.9 Ų59.934%0.33833%0.33SS..  trans-106.2112.8178-48.7178.4000108E388 R390I375-E388 HydrophobicContact CG2-CB 3.85Å; I375-E388 PolarHBondContact O-N 3.36Å; I375-E388 VanDerWaalsContact O-N 3.12Å; I375-R390 HydrophobicContact CD1-CG 3.86Å
376G91.7Very high92.1Very high10 Ų1063.8 Ų63.810%0.10335%0.349CS..EExtended strand (participates in β ladder)trans178.2176.7-179.100000112.2H386G376-H386 CarbonylContact C-O 3.54Å; G376-H386 WeakPolarHBondContact CA-O 3.45Å
377K93Very high92Very high133 Ų13361.6 Ų61.658%0.57833%0.332SS*.EExtended strand (participates in β ladder)trans-127.5135.7177.8-68.5173.1176.2134.80109H386 E388K377-H386 PolarHBondContact N-O 2.91Å; K377-H386 PolarHBondContact O-N 2.82Å; K377-E388 WeakPolarHBondContact CE-OE1 3.22Å; K377-E388 IonicContact NZ-OE1 2.79Å; K377-E388 PolarHBondContact NZ-OE1 3.22Å
378L94Very high91.3Very high43 Ų4362.5 Ų62.523%0.22534%0.336CS..EExtended strand (participates in β ladder)trans-97.3124.8175.1-77.9163.6000109.6L347 E362 A365 I369 I385L347-L378 HydrophobicContact CD2-CD2 3.85Å; E362-L378 HydrophobicContact CG-CD2 4.43Å; A365-L378 HydrophobicContact CB-CD1 4.25Å; A365-L378 HydrophobicContact CB-CD2 4.32Å; I369-L378 HydrophobicContact CD1-CD1 4.06Å; I369-L378 HydrophobicContact CD1-CG 4.04Å; L378-I385 HydrophobicContact CD2-CB 3.81Å; L378-I385 HydrophobicContact CD2-CD1 3.92Å; L378-I385 HydrophobicContact CD2-CG1 4Å; L378-I385 HydrophobicContact CG-CD1 4.29Å; L378-I385 HydrophobicContact CG-CG1 4.42Å
379D93.2Very high89.9Confident55 Ų5566.9 Ų66.929%0.29436%0.36SS..EExtended strand (participates in β ladder)trans-97.1104.4164-165.6-36.6000108.8I381 D382 G383 V384D379-I381 VanDerWaalsContact C-N 3.32Å; D379-I381 PolarHBondContact OD1-N 3.4Å; D379-D382 HydrophobicContact CB-CB 4.45Å; D379-D382 PolarHBondContact OD1-N 3.41Å; D379-G383 VanDerWaalsContact O-CA 3.3Å; D379-G383 WeakPolarHBondContact O-CA 3.45Å; D379-G383 PolarHBondContact O-N 3.32Å; D379-V384 PolarHBondContact N-O 3.38Å; D379-V384 PolarHBondContact O-N 3.01Å; D379-V384 VanDerWaalsContact O-N 3.09Å
380Q88.8Confident88.3Confident140 Ų14071.3 Ų71.365%0.65437%0.373SS*.THydrogen-bonded Turntrans-77.1-19.5-178.4-62.7-173.7-45.200113E362E362-Q380 WeakPolarHBondContact OE1-CG 3.48Å; E362-Q380 PolarHBondContact OE1-NE2 3.02Å
381I87.8Confident86.5Confident160 Ų16072.1 Ų72.182%0.82137%0.37SS*.THydrogen-bonded Turntrans-80.3-48.7-179.9-61.4177000108.9D379D379-I381 VanDerWaalsContact C-N 3.32Å; D379-I381 PolarHBondContact OD1-N 3.4Å
382D92.1Very high84.8Confident123 Ų12372.4 Ų72.466%0.65838%0.38SS*.THydrogen-bonded Turntrans-84.6-12.8-180-72.7-16.8000112.7D379 V384D379-D382 HydrophobicContact CB-CB 4.45Å; D379-D382 PolarHBondContact OD1-N 3.41Å; D382-V384 HydrophobicContact CB-CG2 4.39Å
383G94.6Very high83.4Confident20 Ų2072.1 Ų72.121%0.20638%0.377CS..THydrogen-bonded Turntrans67.640.9179.700000112.5S346 L347 D379S346-G383 CarbonylContact C-O 3.59Å; S346-G383 WeakPolarHBondContact CA-O 3.42Å; L347-G383 WeakPolarHBondContact CG-O 3.38Å; L347-G383 PolarHBondContact N-O 3.39Å; D379-G383 VanDerWaalsContact O-CA 3.3Å; D379-G383 WeakPolarHBondContact O-CA 3.45Å; D379-G383 PolarHBondContact O-N 3.32Å
384V95.9Very high82Confident31 Ų3173.5 Ų73.519%0.18839%0.391CS..EExtended strand (participates in β ladder)trans-127.8136.9-176.5179.20000110.3N344 D379 D382N344-V384 HydrophobicContact CB-CG1 4.1Å; D379-V384 PolarHBondContact N-O 3.38Å; D379-V384 PolarHBondContact O-N 3.01Å; D379-V384 VanDerWaalsContact O-N 3.09Å; D382-V384 HydrophobicContact CB-CG2 4.39Å
385I95.7Very high80.5Confident0 Ų075.1 Ų75.10%040%0.402CS..EExtended strand (participates in β ladder)trans-98.3132.8166.2-173.2162.9000109.8N344 I345 L350 A365 I369 L374 L378 F387N344-I385 WeakPolarHBondContact CA-O 3.46Å; N344-I385 VanDerWaalsContact CB-O 3.29Å; N344-I385 WeakPolarHBondContact CB-O 3.34Å; I345-I385 HydrophobicContact CG2-CG2 3.44Å; I345-I385 VanDerWaalsContact CG2-CG2 3.44Å; I345-I385 PolarHBondContact N-O 2.68Å; I345-I385 VanDerWaalsContact N-O 3.1Å; I345-I385 WeakPolarHBondContact O-CG2 3.15Å; I345-I385 PolarHBondContact O-N 3.21Å; L350-I385 HydrophobicContact CD2-CG2 3.99Å; A365-I385 HydrophobicContact CB-CD1 3.82Å; I369-I385 HydrophobicContact CD1-CD1 4.15Å; L374-I385 HydrophobicContact CD2-CD1 4.15Å; L378-I385 HydrophobicContact CD2-CB 3.81Å; L378-I385 HydrophobicContact CD2-CD1 3.92Å; L378-I385 HydrophobicContact CD2-CG1 4Å; L378-I385 HydrophobicContact CG-CD1 4.29Å; L378-I385 HydrophobicContact CG-CG1 4.42Å; I385-F387 HydrophobicContact CD1-CD1 4.06Å; I385-F387 HydrophobicContact CD1-CE1 3.42Å; I385-F387 VanDerWaalsContact CD1-CE1 3.42Å; I385-F387 HydrophobicContact CD1-CZ 3.98Å; I385-F387 HydrophobicContact CG1-CD1 4.12Å; I385-F387 HydrophobicContact CG1-CE1 3.82Å; I385-F387 HydrophobicContact CG1-CZ 4.2Å; I385-F387 HydrophobicContact CG2-CE1 4.1Å; I385-F387 HydrophobicContact CG2-CE2 3.82Å; I385-F387 HydrophobicContact CG2-CZ 3.57Å
386H94.2Very high79Confident83 Ų8374.4 Ų74.438%0.38440%0.403SS..EExtended strand (participates in β ladder)trans-103114.9169.9-67.4-87.7000108.7G376 K377G376-H386 CarbonylContact C-O 3.54Å; G376-H386 WeakPolarHBondContact CA-O 3.45Å; K377-H386 PolarHBondContact N-O 2.91Å; K377-H386 PolarHBondContact O-N 2.82Å
387F92Very high77.9Confident10 Ų1081.5 Ų81.54%0.04443%0.427CS..EExtended strand (participates in β ladder)trans-84.6131173.7-59.8-63.9000109A338 Y342 N343 I345 L374 I385 N389A338-F387 HydrophobicContact CB-CZ 4.48Å; Y342-F387 VanDerWaalsContact O-CD2 3.27Å; Y342-F387 WeakPolarHBondContact O-CD2 3.37Å; N343-F387 PolarHBondContact O-N 2.74Å; I345-F387 HydrophobicContact CG2-CE2 3.65Å; I345-F387 HydrophobicContact CG2-CZ 4.19Å; L374-F387 HydrophobicContact CD1-CD1 4.05Å; L374-F387 HydrophobicContact CD1-CE1 3.93Å; L374-F387 HydrophobicContact CD2-CE1 4.19Å; L374-F387 HydrophobicContact CG-CE1 4.44Å; I385-F387 HydrophobicContact CD1-CD1 4.06Å; I385-F387 HydrophobicContact CD1-CE1 3.42Å; I385-F387 VanDerWaalsContact CD1-CE1 3.42Å; I385-F387 HydrophobicContact CD1-CZ 3.98Å; I385-F387 HydrophobicContact CG1-CD1 4.12Å; I385-F387 HydrophobicContact CG1-CE1 3.82Å; I385-F387 HydrophobicContact CG1-CZ 4.2Å; I385-F387 HydrophobicContact CG2-CE1 4.1Å; I385-F387 HydrophobicContact CG2-CE2 3.82Å; I385-F387 HydrophobicContact CG2-CZ 3.57Å; F387-N389 PolarHBondContact O-N 3.4Å
388E80.2Confident76.6Confident94 Ų9477.2 Ų77.244%0.43941%0.414SS..  trans-87.7112.5172.7-68.4-175.6174.200107.9I375 K377 R390I375-E388 HydrophobicContact CG2-CB 3.85Å; I375-E388 PolarHBondContact O-N 3.36Å; I375-E388 VanDerWaalsContact O-N 3.12Å; K377-E388 WeakPolarHBondContact CE-OE1 3.22Å; K377-E388 IonicContact NZ-OE1 2.79Å; K377-E388 PolarHBondContact NZ-OE1 3.22Å; E388-R390 PolarHBondContact O-N 3.21Å; E388-R390 VanDerWaalsContact O-N 3.1Å
389N64.8Low75.3Confident91 Ų9182 Ų8249%0.48744%0.437SS..  trans-60.7119170.7-79-26.3000108N343 F387 D391N343-N389 PolarHBondContact OD1-ND2 3.42Å; F387-N389 PolarHBondContact O-N 3.4Å; N389-D391 PolarHBondContact O-N 2.97Å
390R58.7Low74.4Confident141 Ų14185.6 Ų85.653%0.53245%0.452SS..  trans-58118.5158.7-68-176.3-173.2-166.10.3105.9I375 E388 P392 S395I375-R390 HydrophobicContact CD1-CG 3.86Å; E388-R390 PolarHBondContact O-N 3.21Å; E388-R390 VanDerWaalsContact O-N 3.1Å; R390-P392 WeakPolarHBondContact O-CD 3.44Å; R390-S395 WeakPolarHBondContact CB-OG 3.24Å; R390-S395 PolarHBondContact O-OG 2.93Å
391D55.6Low73.8Confident114 Ų11482 Ų8261%0.6144%0.436SS*.  trans-36.5117.9174.4-100-37.5000109N389 G393 V394 S395N389-D391 PolarHBondContact O-N 2.97Å; D391-G393 CarbonylContact O-C 3.54Å; D391-G393 PolarHBondContact O-N 3.36Å; D391-V394 HydrophobicContact CB-CB 3.89Å; D391-V394 HydrophobicContact CB-CG2 3.64Å; D391-V394 CarbonylContact O-C 3.1Å; D391-V394 WeakPolarHBondContact O-CA 3.35Å; D391-V394 PolarHBondContact O-N 2.91Å; D391-S395 PolarHBondContact O-N 3.13Å
392P54.3Low73.1Confident99 Ų9977.6 Ų77.664%0.64341%0.412SS*.Hα-helixtrans-54.3-31-177.4-26.732.5000111.6R390 S396R390-P392 WeakPolarHBondContact O-CD 3.44Å; P392-S396 WeakPolarHBondContact O-CB 3.26Å; P392-S396 PolarHBondContact O-N 3.47Å; P392-S396 PolarHBondContact O-OG 3.32Å
393G57.7Low72.2Confident50 Ų5075.3 Ų75.352%0.51541%0.406SS..Hα-helixtrans-61.9-47.4170.300000113.2D391 S396 W397D391-G393 CarbonylContact O-C 3.54Å; D391-G393 PolarHBondContact O-N 3.36Å; G393-S396 PolarHBondContact O-OG 3.08Å; G393-W397 WeakPolarHBondContact O-CB 3.22Å; G393-W397 PolarHBondContact O-N 3.38Å
394V58.8Low71.6Confident76 Ų7679.7 Ų79.746%0.46142%0.424SS..Hα-helixtrans-71.2-37.9177.8-179.30000111.4D391 W397 S398D391-V394 HydrophobicContact CB-CB 3.89Å; D391-V394 HydrophobicContact CB-CG2 3.64Å; D391-V394 CarbonylContact O-C 3.1Å; D391-V394 WeakPolarHBondContact O-CA 3.35Å; D391-V394 PolarHBondContact O-N 2.91Å; V394-W397 PolarHBondContact O-N 2.91Å; V394-S398 WeakPolarHBondContact O-CB 3.5Å; V394-S398 PolarHBondContact O-N 3.06Å; V394-S398 PolarHBondContact O-OG 2.96Å
395S57.3Low71.1Confident38 Ų3881.3 Ų81.327%0.26644%0.436SS..Hα-helixtrans-64.3-47.9175.1-700000111.9R390 D391 S398 M399R390-S395 WeakPolarHBondContact CB-OG 3.24Å; R390-S395 PolarHBondContact O-OG 2.93Å; D391-S395 PolarHBondContact O-N 3.13Å; S395-S398 PolarHBondContact O-N 3.32Å; S395-M399 WeakPolarHBondContact O-CB 3.45Å; S395-M399 PolarHBondContact O-N 3.21Å
396S58.7Low70.3Confident51 Ų5184.2 Ų84.236%0.35745%0.454SS..Hα-helixtrans-64-44.4175.461.90000110.7P392 G393 S398 M399 H400P392-S396 WeakPolarHBondContact O-CB 3.26Å; P392-S396 PolarHBondContact O-N 3.47Å; P392-S396 PolarHBondContact O-OG 3.32Å; G393-S396 PolarHBondContact O-OG 3.08Å; S396-S398 VanDerWaalsContact C-N 3.32Å; S396-S398 PolarHBondContact O-N 3.27Å; S396-M399 WeakPolarHBondContact O-CB 3.04Å; S396-M399 PolarHBondContact O-N 3.38Å; S396-H400 PolarHBondContact O-N 3.39Å; S396-H400 PolarHBondContact O-ND1 3.29Å
397W68.8Low69.6Low159 Ų15982.4 Ų82.460%0.60245%0.453SS*.Hα-helixtrans-58.8-43.2174-17983.7000112.1G393 V394 M399 H400 I401G393-W397 WeakPolarHBondContact O-CB 3.22Å; G393-W397 PolarHBondContact O-N 3.38Å; V394-W397 PolarHBondContact O-N 2.91Å; W397-M399 PolarHBondContact O-N 3.41Å; W397-H400 PolarHBondContact O-N 3.25Å; W397-I401 HydrophobicContact CD2-CD1 3.83Å; W397-I401 HydrophobicContact CD2-CG1 4.28Å; W397-I401 HydrophobicContact CE3-CD1 3.94Å; W397-I401 HydrophobicContact CH2-CD1 3.3Å; W397-I401 HydrophobicContact CZ2-CD1 3.16Å; W397-I401 HydrophobicContact CZ2-CG1 4.31Å; W397-I401 HydrophobicContact CZ3-CD1 3.69Å; W397-I401 WeakPolarHBondContact O-CG1 3.44Å; W397-I401 PolarHBondContact O-N 3.16Å
398S64.9Low69.1Low44 Ų4485.4 Ų85.431%0.30847%0.472SS..Hα-helixtrans-64-40.5175.6-60.70000111.6V394 S395 S396 I401 Q402V394-S398 WeakPolarHBondContact O-CB 3.5Å; V394-S398 PolarHBondContact O-N 3.06Å; V394-S398 PolarHBondContact O-OG 2.96Å; S395-S398 PolarHBondContact O-N 3.32Å; S396-S398 VanDerWaalsContact C-N 3.32Å; S396-S398 PolarHBondContact O-N 3.27Å; S398-I401 PolarHBondContact O-N 2.91Å; S398-Q402 WeakPolarHBondContact O-CB 3.27Å; S398-Q402 PolarHBondContact O-N 3.01Å
399M68Low69.2Low143 Ų14385.4 Ų85.470%0.70448%0.475SS*.Hα-helixtrans-62.4-41.7172.4-102-177.3-179.400111.9S395 S396 W397 Q402 S403S395-M399 WeakPolarHBondContact O-CB 3.45Å; S395-M399 PolarHBondContact O-N 3.21Å; S396-M399 WeakPolarHBondContact O-CB 3.04Å; S396-M399 PolarHBondContact O-N 3.38Å; W397-M399 PolarHBondContact O-N 3.41Å; M399-Q402 PolarHBondContact O-N 2.66Å; M399-S403 WeakPolarHBondContact O-CB 3.41Å; M399-S403 PolarHBondContact O-N 3.1Å
400H73.5Confident69.8Low131 Ų13187.3 Ų87.361%0.60648%0.476SS*.Hα-helixtrans-65.5-46.4176.7-71.4107.1000111.6S396 W397 Q402 S403 L404S396-H400 PolarHBondContact O-N 3.39Å; S396-H400 PolarHBondContact O-ND1 3.29Å; W397-H400 PolarHBondContact O-N 3.25Å; H400-Q402 VanDerWaalsContact C-N 3.28Å; H400-Q402 PolarHBondContact O-N 3.49Å; H400-S403 PolarHBondContact O-N 3.39Å; H400-L404 WeakPolarHBondContact O-CB 3.45Å; H400-L404 PolarHBondContact O-N 3.1Å
401I75.1Confident71.1Confident65 Ų6585.3 Ų85.333%0.33347%0.474SS..Hα-helixtrans-59.1-44.4173.9-73.4-165.8000110.3W397 S398 S403 L404 C405W397-I401 HydrophobicContact CD2-CD1 3.83Å; W397-I401 HydrophobicContact CD2-CG1 4.28Å; W397-I401 HydrophobicContact CE3-CD1 3.94Å; W397-I401 HydrophobicContact CH2-CD1 3.3Å; W397-I401 HydrophobicContact CZ2-CD1 3.16Å; W397-I401 HydrophobicContact CZ2-CG1 4.31Å; W397-I401 HydrophobicContact CZ3-CD1 3.69Å; W397-I401 WeakPolarHBondContact O-CG1 3.44Å; W397-I401 PolarHBondContact O-N 3.16Å; S398-I401 PolarHBondContact O-N 2.91Å; I401-S403 VanDerWaalsContact C-N 3.35Å; I401-S403 PolarHBondContact O-N 3.37Å; I401-L404 WeakPolarHBondContact O-CB 3.28Å; I401-L404 PolarHBondContact O-N 3.05Å; I401-C405 WeakPolarHBondContact O-CB 3.48Å; I401-C405 PolarHBondContact O-N 2.65Å; I401-C405 PolarHBondContact O-SG 3.32Å
402Q73.6Confident72.2Confident66 Ų6683 Ų8331%0.30846%0.464SS..Hα-helixtrans-64-41.5178.9-174172.4-14.600111.9R244 S398 M399 H400 L404 C405 T406R244-Q402 VanDerWaalsContact CG-NE2 3.31Å; S398-Q402 WeakPolarHBondContact O-CB 3.27Å; S398-Q402 PolarHBondContact O-N 3.01Å; M399-Q402 PolarHBondContact O-N 2.66Å; H400-Q402 VanDerWaalsContact C-N 3.28Å; H400-Q402 PolarHBondContact O-N 3.49Å; Q402-L404 VanDerWaalsContact C-N 3.34Å; Q402-C405 PolarHBondContact O-N 3.06Å; Q402-T406 WeakPolarHBondContact O-CB 3.5Å; Q402-T406 PolarHBondContact O-N 3.22Å; Q402-T406 PolarHBondContact O-OG1 3.2Å
403S74Confident73.5Confident75 Ų7583.9 Ų83.952%0.52446%0.46SS..Hα-helixtrans-61.6-43.5174.6-173.10000111.3M399 H400 I401 T406 A407M399-S403 WeakPolarHBondContact O-CB 3.41Å; M399-S403 PolarHBondContact O-N 3.1Å; H400-S403 PolarHBondContact O-N 3.39Å; I401-S403 VanDerWaalsContact C-N 3.35Å; I401-S403 PolarHBondContact O-N 3.37Å; S403-T406 PolarHBondContact O-N 3.01Å; S403-A407 WeakPolarHBondContact O-CB 3.29Å; S403-A407 PolarHBondContact O-N 3.16Å
404L81.7Confident74.9Confident113 Ų11386.7 Ų86.759%0.59246%0.463SS*.Hα-helixtrans-62.3-51.2176.2-179.766.1000111.2H400 I401 Q402 T406 A407 V408H400-L404 WeakPolarHBondContact O-CB 3.45Å; H400-L404 PolarHBondContact O-N 3.1Å; I401-L404 WeakPolarHBondContact O-CB 3.28Å; I401-L404 PolarHBondContact O-N 3.05Å; Q402-L404 VanDerWaalsContact C-N 3.34Å; L404-T406 VanDerWaalsContact C-N 3.27Å; L404-T406 PolarHBondContact O-N 2.79Å; L404-A407 WeakPolarHBondContact O-CB 3.15Å; L404-A407 PolarHBondContact O-N 3.29Å; L404-A407 VanDerWaalsContact O-N 3.12Å; L404-V408 HydrophobicContact CD1-CG2 4.46Å; L404-V408 WeakPolarHBondContact O-CG2 3.3Å; L404-V408 PolarHBondContact O-N 3.44Å
405C85.5Confident76.2Confident65 Ų6586.2 Ų86.244%0.43946%0.457SS..Hα-helixtrans-60.5-38.1178.3-66.10000111.8I401 Q402 V408 N409I401-C405 WeakPolarHBondContact O-CB 3.48Å; I401-C405 PolarHBondContact O-N 2.65Å; I401-C405 PolarHBondContact O-SG 3.32Å; Q402-C405 PolarHBondContact O-N 3.06Å; C405-V408 PolarHBondContact O-N 3.39Å; C405-N409 WeakPolarHBondContact O-CB 3.47Å; C405-N409 PolarHBondContact O-N 3.15Å
406T78Confident77.5Confident61 Ų6189 Ų8937%0.37447%0.466SS..Hα-helixtrans-66.3-41.1175.8-51.30000111.3Q402 S403 L404 N409 R410Q402-T406 WeakPolarHBondContact O-CB 3.5Å; Q402-T406 PolarHBondContact O-N 3.22Å; Q402-T406 PolarHBondContact O-OG1 3.2Å; S403-T406 PolarHBondContact O-N 3.01Å; L404-T406 VanDerWaalsContact C-N 3.27Å; L404-T406 PolarHBondContact O-N 2.79Å; T406-N409 PolarHBondContact O-N 3.12Å; T406-R410 WeakPolarHBondContact O-CG 3.47Å; T406-R410 PolarHBondContact O-N 2.93Å
407A79.6Confident78.7Confident45 Ų4590.4 Ų90.437%0.37248%0.481SS..Hα-helixtrans-65-42.2175.600000111.6S403 L404 R410 I411S403-A407 WeakPolarHBondContact O-CB 3.29Å; S403-A407 PolarHBondContact O-N 3.16Å; L404-A407 WeakPolarHBondContact O-CB 3.15Å; L404-A407 PolarHBondContact O-N 3.29Å; L404-A407 VanDerWaalsContact O-N 3.12Å; A407-R410 PolarHBondContact O-N 2.85Å; A407-I411 VanDerWaalsContact O-CG1 3.31Å; A407-I411 WeakPolarHBondContact O-CG1 3.27Å; A407-I411 PolarHBondContact O-N 3.21Å
408V83.1Confident79.7Confident73 Ų7385.9 Ų85.944%0.44248%0.477SS..Hα-helixtrans-62.2-46.1175.1172.50000110.7L404 C405 R410 I411 V412L404-V408 HydrophobicContact CD1-CG2 4.46Å; L404-V408 WeakPolarHBondContact O-CG2 3.3Å; L404-V408 PolarHBondContact O-N 3.44Å; C405-V408 PolarHBondContact O-N 3.39Å; V408-R410 VanDerWaalsContact C-N 3.33Å; V408-R410 PolarHBondContact O-N 3.07Å; V408-I411 PolarHBondContact O-N 3.17Å; V408-I411 VanDerWaalsContact O-N 3.17Å; V408-V412 HydrophobicContact CG1-CG2 4.4Å; V408-V412 WeakPolarHBondContact O-CG2 3.37Å; V408-V412 PolarHBondContact O-N 3.35Å
409N80.6Confident80.9Confident94 Ų9489.1 Ų89.150%0.50349%0.487SS..Hα-helixtrans-59.8-42.7177.2-79.71.9000112C405 T406 I411 V412 E413C405-N409 WeakPolarHBondContact O-CB 3.47Å; C405-N409 PolarHBondContact O-N 3.15Å; T406-N409 PolarHBondContact O-N 3.12Å; N409-I411 PolarHBondContact O-N 3.4Å; N409-V412 PolarHBondContact O-N 3.23Å; N409-E413 WeakPolarHBondContact O-CB 3.23Å; N409-E413 WeakPolarHBondContact O-CG 3.41Å; N409-E413 PolarHBondContact O-N 2.7Å
410R79.4Confident81.8Confident131 Ų13185.2 Ų85.249%0.49447%0.473SS..Hα-helixtrans-60.2-44.9174.6-74.7176.4-176.4-177.7-4.4112.1T406 A407 V408 V412 E413 D414T406-R410 WeakPolarHBondContact O-CG 3.47Å; T406-R410 PolarHBondContact O-N 2.93Å; A407-R410 PolarHBondContact O-N 2.85Å; V408-R410 VanDerWaalsContact C-N 3.33Å; V408-R410 PolarHBondContact O-N 3.07Å; R410-V412 VanDerWaalsContact C-N 3.28Å; R410-V412 PolarHBondContact O-N 3.41Å; R410-E413 PolarHBondContact O-N 3.35Å; R410-D414 WeakPolarHBondContact O-CB 3.46Å; R410-D414 PolarHBondContact O-N 3.47Å
411I84.6Confident82.5Confident98 Ų9885.5 Ų85.550%0.50348%0.478SS..Hα-helixtrans-60.4-41.5176.6-68.2164.6000110.7A407 V408 N409 D414 I415A407-I411 VanDerWaalsContact O-CG1 3.31Å; A407-I411 WeakPolarHBondContact O-CG1 3.27Å; A407-I411 PolarHBondContact O-N 3.21Å; V408-I411 PolarHBondContact O-N 3.17Å; V408-I411 VanDerWaalsContact O-N 3.17Å; N409-I411 PolarHBondContact O-N 3.4Å; I411-D414 PolarHBondContact O-N 3Å; I411-I415 HydrophobicContact CG2-CD1 3.76Å; I411-I415 HydrophobicContact CG2-CG1 4.43Å; I411-I415 WeakPolarHBondContact O-CB 3.43Å; I411-I415 WeakPolarHBondContact O-CD1 3.49Å; I411-I415 WeakPolarHBondContact O-CG1 3.32Å; I411-I415 PolarHBondContact O-N 3.34Å
412V79.2Confident83.2Confident65 Ų6589 Ų8939%0.39449%0.488SS..Hα-helixtrans-64.9-46.3177.1173.50000111V408 N409 R410 D414 I415 E416V408-V412 HydrophobicContact CG1-CG2 4.4Å; V408-V412 WeakPolarHBondContact O-CG2 3.37Å; V408-V412 PolarHBondContact O-N 3.35Å; N409-V412 PolarHBondContact O-N 3.23Å; R410-V412 VanDerWaalsContact C-N 3.28Å; R410-V412 PolarHBondContact O-N 3.41Å; V412-D414 VanDerWaalsContact C-N 3.32Å; V412-D414 PolarHBondContact O-N 3.24Å; V412-I415 PolarHBondContact O-N 3.17Å; V412-E416 WeakPolarHBondContact O-CB 3.33Å; V412-E416 WeakPolarHBondContact O-CG 3.32Å; V412-E416 PolarHBondContact O-N 2.89Å
413E82.1Confident83.7Confident119 Ų11986.9 Ų86.956%0.55648%0.479SS*.Hα-helixtrans-60.1-40.9176.1-72.9170.4-167.100111.7N409 R410 E416 A417N409-E413 WeakPolarHBondContact O-CB 3.23Å; N409-E413 WeakPolarHBondContact O-CG 3.41Å; N409-E413 PolarHBondContact O-N 2.7Å; R410-E413 PolarHBondContact O-N 3.35Å; E413-E416 PolarHBondContact O-N 3.45Å; E413-A417 WeakPolarHBondContact O-CB 3.35Å; E413-A417 PolarHBondContact O-N 3.44Å
414D86Confident84Confident109 Ų10989 Ų8958%0.58348%0.481SS*.Hα-helixtrans-67.1-39.6176.8-69.9-22.9000111.7R410 I411 V412 A417 A418R410-D414 WeakPolarHBondContact O-CB 3.46Å; R410-D414 PolarHBondContact O-N 3.47Å; I411-D414 PolarHBondContact O-N 3Å; V412-D414 VanDerWaalsContact C-N 3.32Å; V412-D414 PolarHBondContact O-N 3.24Å; D414-A417 PolarHBondContact O-N 2.9Å; D414-A418 WeakPolarHBondContact O-CB 3.31Å; D414-A418 PolarHBondContact O-N 2.84Å
415I85.9Confident84.1Confident66 Ų6686.6 Ų86.634%0.33847%0.473SS..Hα-helixtrans-66-43.4174.8-70165.8000110.6I411 V412 A417 A418 H419 W422 V423I411-I415 HydrophobicContact CG2-CD1 3.76Å; I411-I415 HydrophobicContact CG2-CG1 4.43Å; I411-I415 WeakPolarHBondContact O-CB 3.43Å; I411-I415 WeakPolarHBondContact O-CD1 3.49Å; I411-I415 WeakPolarHBondContact O-CG1 3.32Å; I411-I415 PolarHBondContact O-N 3.34Å; V412-I415 PolarHBondContact O-N 3.17Å; I415-A417 VanDerWaalsContact C-N 3.32Å; I415-A417 PolarHBondContact O-N 3.02Å; I415-A418 PolarHBondContact O-N 2.92Å; I415-H419 PolarHBondContact O-N 2.71Å; I415-W422 HydrophobicContact CG2-CE3 4.28Å; I415-W422 HydrophobicContact CG2-CZ3 4.09Å; I415-V423 HydrophobicContact CG2-CG2 3.85Å
416E85.9Confident84Confident95 Ų9587.5 Ų87.544%0.44447%0.47SS..Hα-helixtrans-61.3-40.9175.4-80.9179.6-177.500111.9V412 E413 P420 V423V412-E416 WeakPolarHBondContact O-CB 3.33Å; V412-E416 WeakPolarHBondContact O-CG 3.32Å; V412-E416 PolarHBondContact O-N 2.89Å; E413-E416 PolarHBondContact O-N 3.45Å; E416-P420 WeakPolarHBondContact O-CA 3.44Å; E416-V423 HydrophobicContact CG-CB 4.32Å; E416-V423 HydrophobicContact CG-CG1 3.9Å; E416-V423 HydrophobicContact CG-CG2 4Å
417A83.2Confident83.9Confident81 Ų8189.1 Ų89.167%0.66948%0.476SS*.Hα-helixtrans-68.1-40.2177.300000112.6E413 D414 I415E413-A417 WeakPolarHBondContact O-CB 3.35Å; E413-A417 PolarHBondContact O-N 3.44Å; D414-A417 PolarHBondContact O-N 2.9Å; I415-A417 VanDerWaalsContact C-N 3.32Å; I415-A417 PolarHBondContact O-N 3.02Å
418A89.4Confident83.7Confident64 Ų6491.8 Ų91.853%0.52949%0.485SS..Hα-helixtrans-81.4-32.1-177.800000113.7D414 I415D414-A418 WeakPolarHBondContact O-CB 3.31Å; D414-A418 PolarHBondContact O-N 2.84Å; I415-A418 PolarHBondContact O-N 2.92Å
419H89.9Confident83.3Confident113 Ų11391.1 Ų91.152%0.52348%0.483SS..  trans-138.459.1-171.2-57.6-60.4000113.2I415 D421 W422 V423I415-H419 PolarHBondContact O-N 2.71Å; H419-D421 PolarHBondContact O-N 3.18Å; H419-W422 HydrophobicContact CB-CB 3.99Å; H419-W422 PolarHBondContact O-N 3.04Å; H419-V423 PolarHBondContact O-N 3.26Å; H419-V423 VanDerWaalsContact O-N 3.13Å
420P87.7Confident82.3Confident61 Ų6195.3 Ų95.340%0.39649%0.492SS..Hα-helixtrans-59.4-44-173.922.9-33.4000113E416 W422 V423 H424E416-P420 WeakPolarHBondContact O-CA 3.44Å; P420-W422 VanDerWaalsContact C-N 3.32Å; P420-W422 PolarHBondContact O-N 2.97Å; P420-V423 PolarHBondContact O-N 2.98Å; P420-H424 PolarHBondContact O-CD2 3.15Å; P420-H424 VanDerWaalsContact O-CD2 3.25Å; P420-H424 PolarHBondContact O-N 2.72Å
421D87.2Confident81.2Confident136 Ų13696.3 Ų96.373%0.72750%0.504SS*.Hα-helixtrans-63.4-37.5180-63.4-32.8000112.4H419 S425H419-D421 PolarHBondContact O-N 3.18Å; D421-S425 WeakPolarHBondContact O-CB 3.33Å; D421-S425 PolarHBondContact O-N 2.81Å; D421-S425 PolarHBondContact O-OG 2.92Å
422W89.8Confident79.7Confident140 Ų14097.7 Ų97.753%0.5352%0.516SS..Hα-helixtrans-66-45177.4-178.388.5000110.9I415 H419 P420 S425 H426I415-W422 HydrophobicContact CG2-CE3 4.28Å; I415-W422 HydrophobicContact CG2-CZ3 4.09Å; H419-W422 HydrophobicContact CB-CB 3.99Å; H419-W422 PolarHBondContact O-N 3.04Å; P420-W422 VanDerWaalsContact C-N 3.32Å; P420-W422 PolarHBondContact O-N 2.97Å; W422-S425 PolarHBondContact O-N 3.11Å; W422-S425 PolarHBondContact O-OG 2.87Å; W422-H426 AromaticContact CD1-CE1 3.76Å; W422-H426 AromaticContact CD1-ND1 3.91Å; W422-H426 AromaticContact CD2-ND1 3.79Å; W422-H426 AromaticContact CE2-CE1 3.3Å; W422-H426 AromaticContact CE2-ND1 3.47Å; W422-H426 AromaticContact CE2-NE2 3.86Å; W422-H426 AromaticContact CZ2-CD2 3.98Å; W422-H426 AromaticContact CZ2-CE1 3.6Å; W422-H426 AromaticContact CZ2-ND1 3.86Å; W422-H426 AromaticContact CZ2-NE2 3.66Å; W422-H426 AromaticContact NE1-CE1 3.11Å; W422-H426 PolarHBondContact NE1-CE1 3.42Å; W422-H426 AromaticContact NE1-ND1 3.58Å; W422-H426 AromaticContact NE1-NE2 3.93Å; W422-H426 PolarHBondContact O-N 3.48Å; W422-H426 PolarHBondContact O-ND1 2.97Å; W422-H426 VanDerWaalsContact O-ND1 3.09Å
423V85.3Confident78.6Confident20 Ų20100.6 Ų100.612%0.12153%0.528CS..Hα-helixtrans-63-46.7177.3178.60000110.9I415 E416 H419 P420 S425 H426 L427I415-V423 HydrophobicContact CG2-CG2 3.85Å; E416-V423 HydrophobicContact CG-CB 4.32Å; E416-V423 HydrophobicContact CG-CG1 3.9Å; E416-V423 HydrophobicContact CG-CG2 4Å; H419-V423 PolarHBondContact O-N 3.26Å; H419-V423 VanDerWaalsContact O-N 3.13Å; P420-V423 PolarHBondContact O-N 2.98Å; V423-S425 VanDerWaalsContact C-N 3.35Å; V423-S425 PolarHBondContact O-N 3.17Å; V423-H426 PolarHBondContact O-N 3.1Å; V423-L427 HydrophobicContact CG1-CD1 3.8Å; V423-L427 HydrophobicContact CG1-CG 4.19Å; V423-L427 WeakPolarHBondContact O-CG 3.37Å; V423-L427 PolarHBondContact O-N 3.33Å
424H80.8Confident76.8Confident121 Ų121100.8 Ų100.856%0.5653%0.533SS*.Hα-helixtrans-58.4-44.2176.2-84.6-66.8000112.5P420 H426 L427 N428P420-H424 PolarHBondContact O-CD2 3.15Å; P420-H424 VanDerWaalsContact O-CD2 3.25Å; P420-H424 PolarHBondContact O-N 2.72Å; H424-H426 VanDerWaalsContact C-N 3.34Å; H424-H426 PolarHBondContact O-N 3.38Å; H424-L427 PolarHBondContact O-N 3.4Å; H424-N428 WeakPolarHBondContact O-CB 3.23Å; H424-N428 PolarHBondContact O-N 2.93Å; H424-N428 PolarHBondContact O-ND2 2.98Å
425S83.6Confident74.6Confident62 Ų62100.5 Ų100.543%0.43454%0.537SS..Hα-helixtrans-62.5-39.9177.872.60000112.6D421 W422 V423 S429D421-S425 WeakPolarHBondContact O-CB 3.33Å; D421-S425 PolarHBondContact O-N 2.81Å; D421-S425 PolarHBondContact O-OG 2.92Å; W422-S425 PolarHBondContact O-N 3.11Å; W422-S425 PolarHBondContact O-OG 2.87Å; V423-S425 VanDerWaalsContact C-N 3.35Å; V423-S425 PolarHBondContact O-N 3.17Å; S425-S429 WeakPolarHBondContact O-CB 3.45Å; S425-S429 PolarHBondContact O-N 2.65Å
426H82.1Confident73.1Confident83 Ų83103.5 Ų103.538%0.38456%0.561SS.*Hα-helixtrans-73-40.6179.8-82.670.3000112.4W422 V423 H424 N428 S429 R430W422-H426 AromaticContact CD1-CE1 3.76Å; W422-H426 AromaticContact CD1-ND1 3.91Å; W422-H426 AromaticContact CD2-ND1 3.79Å; W422-H426 AromaticContact CE2-CE1 3.3Å; W422-H426 AromaticContact CE2-ND1 3.47Å; W422-H426 AromaticContact CE2-NE2 3.86Å; W422-H426 AromaticContact CZ2-CD2 3.98Å; W422-H426 AromaticContact CZ2-CE1 3.6Å; W422-H426 AromaticContact CZ2-ND1 3.86Å; W422-H426 AromaticContact CZ2-NE2 3.66Å; W422-H426 AromaticContact NE1-CE1 3.11Å; W422-H426 PolarHBondContact NE1-CE1 3.42Å; W422-H426 AromaticContact NE1-ND1 3.58Å; W422-H426 AromaticContact NE1-NE2 3.93Å; W422-H426 PolarHBondContact O-N 3.48Å; W422-H426 PolarHBondContact O-ND1 2.97Å; W422-H426 VanDerWaalsContact O-ND1 3.09Å; V423-H426 PolarHBondContact O-N 3.1Å; H424-H426 VanDerWaalsContact C-N 3.34Å; H424-H426 PolarHBondContact O-N 3.38Å; H426-N428 VanDerWaalsContact C-N 3.34Å; H426-S429 WeakPolarHBondContact CA-OG 3.42Å; H426-S429 PolarHBondContact O-N 2.94Å; H426-S429 PolarHBondContact O-OG 3.49Å; H426-R430 PolarHBondContact O-N 3.39Å; H426-R430 VanDerWaalsContact O-N 3.1Å
427L77.3Confident71.1Confident95 Ų95109.3 Ų109.350%0.49760%0.602SS.*Hα-helixtrans-60.6-44.9174.4-73.7173.2000111.1V423 H424 S429 R430 M431V423-L427 HydrophobicContact CG1-CD1 3.8Å; V423-L427 HydrophobicContact CG1-CG 4.19Å; V423-L427 WeakPolarHBondContact O-CG 3.37Å; V423-L427 PolarHBondContact O-N 3.33Å; H424-L427 PolarHBondContact O-N 3.4Å; L427-S429 PolarHBondContact O-N 3.23Å; L427-R430 PolarHBondContact O-N 3.01Å; L427-M431 PolarHBondContact O-N 2.94Å; L427-M431 VanDerWaalsContact O-N 3.13Å
428N74.4Confident70.5Confident102 Ų102110.7 Ų110.755%0.54560%0.599SS.*Hα-helixtrans-62.9-40.8175.6-74.1-17.2000112H424 H426 R430 M431 V432H424-N428 WeakPolarHBondContact O-CB 3.23Å; H424-N428 PolarHBondContact O-N 2.93Å; H424-N428 PolarHBondContact O-ND2 2.98Å; H426-N428 VanDerWaalsContact C-N 3.34Å; N428-R430 VanDerWaalsContact C-N 3.3Å; N428-R430 PolarHBondContact O-N 3.29Å; N428-M431 PolarHBondContact O-N 2.92Å; N428-V432 WeakPolarHBondContact O-CG2 3.44Å; N428-V432 PolarHBondContact O-N 3.01Å
429S74.2Confident69.5Low58 Ų58113.2 Ų113.241%0.40660%0.603SS.*Hα-helixtrans-63.4-33.6178.575.60000113.3S425 H426 L427 I433S425-S429 WeakPolarHBondContact O-CB 3.45Å; S425-S429 PolarHBondContact O-N 2.65Å; H426-S429 WeakPolarHBondContact CA-OG 3.42Å; H426-S429 PolarHBondContact O-N 2.94Å; H426-S429 PolarHBondContact O-OG 3.49Å; L427-S429 PolarHBondContact O-N 3.23Å; S429-I433 WeakPolarHBondContact O-CG1 3.36Å
430R61Low68.4Low183 Ų183113.2 Ų113.269%0.69161%0.607SS**Hα-helixtrans-74.5-37.9176.4-75.1-172.7176.3-176.30.3112.4H426 L427 N428 V432 I433 D434H426-R430 PolarHBondContact O-N 3.39Å; H426-R430 VanDerWaalsContact O-N 3.1Å; L427-R430 PolarHBondContact O-N 3.01Å; N428-R430 VanDerWaalsContact C-N 3.3Å; N428-R430 PolarHBondContact O-N 3.29Å; R430-V432 PolarHBondContact O-N 2.78Å; R430-I433 PolarHBondContact O-N 3.37Å; R430-D434 PolarHBondContact O-N 3.06Å
431M55.2Low67.2Low151 Ų151116.2 Ų116.274%0.74462%0.62SS**Hα-helixtrans-65.1-24.2176.6-73.6-170.1131.500113.5L427 N428 I433L427-M431 PolarHBondContact O-N 2.94Å; L427-M431 VanDerWaalsContact O-N 3.13Å; N428-M431 PolarHBondContact O-N 2.92Å; M431-I433 VanDerWaalsContact C-N 3.29Å
432V54.5Low66Low127 Ų127115 Ų11577%0.7761%0.613SS**THydrogen-bonded Turntrans-75.6-21172.8177.80000111.9N428 R430N428-V432 WeakPolarHBondContact O-CG2 3.44Å; N428-V432 PolarHBondContact O-N 3.01Å; R430-V432 PolarHBondContact O-N 2.78Å
433I54.2Low64.4Low126 Ų126113.3 Ų113.365%0.64662%0.618SS**THydrogen-bonded Turntrans-87.7-30.3-178.4-62.4168.6000111.5S429 R430 M431 P435S429-I433 WeakPolarHBondContact O-CG1 3.36Å; R430-I433 PolarHBondContact O-N 3.37Å; M431-I433 VanDerWaalsContact C-N 3.29Å; I433-P435 WeakPolarHBondContact O-CD 3.45Å
434D45.3Very low62.9Low124 Ų124120 Ų12066%0.66365%0.654SS**SBendtrans-81.8102.6175.3-71.8-26.1000109.5R430R430-D434 PolarHBondContact O-N 3.06Å
435P39.9Very low61.5Low103 Ų103119.9 Ų119.967%0.66966%0.661SS**  trans-67.1150.8177-2.921.9000108.5I433 V437I433-P435 WeakPolarHBondContact O-CD 3.45Å; P435-V437 PolarHBondContact O-N 3.45Å
436P53.8Low59.7Low128 Ų128124.8 Ų124.883%0.83168%0.68SS**  trans-58.2126.817525.3-31.6000109.2
437V44.5Very low57.7Low217 Ų217128.5 Ų128.5100%1.31571%0.707SS**  trans-53.20177.9179.30000111.6P435P435-V437 PolarHBondContact O-N 3.45Å

Retrieved 437 of 437 residues in 227.7 ms (Link to these results)

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