A0A087WSH2_MOUSE Loading...

Regulator of G-protein signaling 6

AlphaFold DB , UniProt , Accession A0A087WSH2, Species MOUSE (Mus musculus, Mouse), Gene Rgs6, 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
1M91.8Very high86Confident54 Ų5477.8 Ų77.827%0.26643%0.43SS..  0-47.10-68.1-173.182.100113.8G8 V9 I30 W33 I59 F78M1-G8 CarbonylContact O-C 3.58Å; M1-G8 WeakPolarHBondContact O-CA 3.1Å; M1-V9 HydrophobicContact CE-CG2 3.92Å; M1-V9 PolarHBondContact O-N 3.19Å; M1-I30 HydrophobicContact CE-CB 4.29Å; M1-I30 HydrophobicContact CE-CG1 4.12Å; M1-I30 HydrophobicContact CE-CG2 3.52Å; M1-W33 HydrophobicContact CB-CH2 4.41Å; M1-W33 HydrophobicContact CB-CZ2 4.48Å; M1-W33 HydrophobicContact CB-CZ3 4.5Å; M1-W33 HydrophobicContact CE-CE3 4.21Å; M1-W33 HydrophobicContact CG-CD2 4Å; M1-W33 HydrophobicContact CG-CE3 3.51Å; M1-W33 HydrophobicContact CG-CH2 3.48Å; M1-W33 VanDerWaalsContact CG-CH2 3.48Å; M1-W33 HydrophobicContact CG-CZ2 3.94Å; M1-W33 HydrophobicContact CG-CZ3 3.24Å; M1-W33 HydrophobicContact SD-CE3 4.26Å; M1-W33 HydrophobicContact SD-CZ3 4.12Å; M1-I59 HydrophobicContact CE-CD1 3.69Å; M1-I59 HydrophobicContact SD-CD1 3.94Å; M1-F78 HydrophobicContact CB-CE1 3.9Å; M1-F78 HydrophobicContact CB-CZ 3.95Å; M1-F78 HydrophobicContact CE-CE1 4.2Å; M1-F78 HydrophobicContact CE-CZ 4.28Å; M1-F78 HydrophobicContact SD-CE1 4.28Å
2Q89.9Confident86.5Confident107 Ų10783.2 Ų83.250%0.544%0.439SS..  trans-94.912.4-175.6-62-178.6-81.900115F78Q2-F78 HydrophobicContact CG-CD1 3.83Å; Q2-F78 HydrophobicContact CG-CD2 3.66Å; Q2-F78 HydrophobicContact CG-CE1 3.85Å; Q2-F78 HydrophobicContact CG-CE2 3.68Å; Q2-F78 HydrophobicContact CG-CG 3.75Å; Q2-F78 HydrophobicContact CG-CZ 3.78Å
3D86.5Confident86.9Confident71 Ų7182.4 Ų82.438%0.3844%0.44SS..  trans-95.9107.1-177.6179.96.8000110.7K5 T6 G8D3-K5 PolarHBondContact O-N 3.12Å; D3-K5 WeakPolarHBondContact OD1-CB 3.44Å; D3-K5 PolarHBondContact OD1-N 3.01Å; D3-T6 VanDerWaalsContact CB-OG1 3.27Å; D3-T6 WeakPolarHBondContact CB-OG1 3.4Å; D3-T6 PolarHBondContact O-N 3.45Å; D3-T6 WeakPolarHBondContact OD2-CB 3.37Å; D3-T6 WeakPolarHBondContact OD2-CG2 3.48Å; D3-T6 PolarHBondContact OD2-OG1 3.42Å; D3-G8 WeakPolarHBondContact O-CA 3.44Å; D3-G8 PolarHBondContact O-N 3.4Å
4D73.4Confident87Confident131 Ų13179.9 Ų79.970%0.70143%0.429SS*.THydrogen-bonded Turntrans-65.5-22.6-179.8-65.8-22.4000112.7
5K74.5Confident87.2Confident199 Ų19985.4 Ų85.487%0.86545%0.447SS*.THydrogen-bonded Turntrans-82-24.3-178.1-63.9-177.8179.3179.10113D3D3-K5 PolarHBondContact O-N 3.12Å; D3-K5 WeakPolarHBondContact OD1-CB 3.44Å; D3-K5 PolarHBondContact OD1-N 3.01Å
6T76.8Confident87Confident102 Ų10284.3 Ų84.363%0.62645%0.449SS*.THydrogen-bonded Turntrans-110.516.2-175.756.80000113D3D3-T6 VanDerWaalsContact CB-OG1 3.27Å; D3-T6 WeakPolarHBondContact CB-OG1 3.4Å; D3-T6 PolarHBondContact O-N 3.45Å; D3-T6 WeakPolarHBondContact OD2-CB 3.37Å; D3-T6 WeakPolarHBondContact OD2-CG2 3.48Å; D3-T6 PolarHBondContact OD2-OG1 3.42Å
7G83.7Confident86.7Confident48 Ų4891.4 Ų91.450%0.49548%0.476SS..THydrogen-bonded Turntrans80.343.3177.600000113.2W33G7-W33 VanDerWaalsContact O-CD1 3.25Å; G7-W33 PolarHBondContact O-NE1 3.12Å
8G90.9Very high86.1Confident18 Ų1895.2 Ų95.219%0.18650%0.495CS..  trans-59.2175.8169.700000114.4M1 D3M1-G8 CarbonylContact O-C 3.58Å; M1-G8 WeakPolarHBondContact O-CA 3.1Å; D3-G8 WeakPolarHBondContact O-CA 3.44Å; D3-G8 PolarHBondContact O-N 3.4Å
9V94.6Very high85.7Confident1 Ų192.6 Ų92.61%0.00649%0.487CS..  trans-73.3132.5178.4-174.30000109.1M1 I11 V25 D29 I30 W33M1-V9 HydrophobicContact CE-CG2 3.92Å; M1-V9 PolarHBondContact O-N 3.19Å; V9-I11 PolarHBondContact O-N 3.01Å; V9-I11 VanDerWaalsContact O-N 3.09Å; V9-V25 HydrophobicContact CB-CG1 4.3Å; V9-V25 HydrophobicContact CG1-CB 3.77Å; V9-V25 HydrophobicContact CG1-CG1 3.7Å; V9-V25 HydrophobicContact CG1-CG2 4.48Å; V9-D29 HydrophobicContact CG1-CB 3.68Å; V9-I30 HydrophobicContact CG1-CG1 4.13Å; V9-I30 HydrophobicContact CG2-CG1 4.47Å; V9-W33 HydrophobicContact CG2-CB 3.67Å; V9-W33 HydrophobicContact CG2-CD2 4.13Å; V9-W33 HydrophobicContact CG2-CG 3.57Å
10P91.1Very high85.8Confident51 Ų5194.2 Ų94.233%0.33149%0.489SS..  trans-68.4108.6-175.627.4-35.7000112.2D29P10-D29 HydrophobicContact CG-CB 4.31Å
11I93.3Very high85.8Confident74 Ų7491.8 Ų91.838%0.37948%0.477SS..  trans-81124.4175.9-57.9172.7000109.7V9 V25 F78V9-I11 PolarHBondContact O-N 3.01Å; V9-I11 VanDerWaalsContact O-N 3.09Å; I11-V25 HydrophobicContact CB-CG1 4.33Å; I11-V25 HydrophobicContact CG1-CG1 3.73Å; I11-F78 HydrophobicContact CD1-CD2 4.31Å; I11-F78 HydrophobicContact CD1-CE2 4.26Å; I11-F78 HydrophobicContact CG1-CE2 4.35Å
12R91.1Very high85.8Confident142 Ų14289.9 Ų89.954%0.53647%0.468SS..EExtended strand (participates in β ladder)trans-124.1159-174.4-58.8-178.8-170.61747.1112.4S23 V24R12-S23 PolarHBondContact O-N 3.28Å; R12-V24 PolarHBondContact N-O 3.43Å; R12-V24 WeakPolarHBondContact O-CG2 3.48Å; R12-V24 PolarHBondContact O-N 2.92Å
13T91.6Very high85.8Confident73 Ų7387.4 Ų87.445%0.44846%0.463SS..EExtended strand (participates in β ladder)trans-107.2114.2164.4-66.40000108.8K20 I21T13-K20 HydrophobicContact CG2-CD 4.35Å; T13-K20 HydrophobicContact CG2-CG 3.84Å; T13-I21 CarbonylContact C-O 3.47Å; T13-I21 WeakPolarHBondContact CA-O 3.3Å
14V89.6Confident86.2Confident47 Ų4784.1 Ų84.129%0.28545%0.445SS..EExtended strand (participates in β ladder)trans-91.2127.9-178.3-177.90000109.4K20 I21 V24 F75V14-K20 WeakPolarHBondContact O-CA 3.49Å; V14-I21 PolarHBondContact N-O 3.46Å; V14-I21 PolarHBondContact O-N 3.41Å; V14-V24 HydrophobicContact CG2-CG2 3.77Å; V14-F75 HydrophobicContact CB-CZ 4.31Å; V14-F75 HydrophobicContact CG1-CE2 4.41Å; V14-F75 HydrophobicContact CG1-CZ 4.04Å; V14-F75 HydrophobicContact CG2-CE1 3.75Å; V14-F75 HydrophobicContact CG2-CZ 3.75Å
15K88.7Confident87.3Confident163 Ų16378 Ų7871%0.70941%0.413SS*.EExtended strand (participates in β ladder)trans-111.8130.2176.1-67.3179.3-176.1175.10109.1K20K15-K20 HydrophobicContact CG-CD 4.47Å; K15-K20 HydrophobicContact CG-CG 4.09Å
16S84.9Confident88.4Confident67 Ų6769.8 Ų69.847%0.46938%0.379SS..  trans-125.8171.4169.868.70000109.2L18 S19S16-L18 PolarHBondContact O-N 3.04Å; S16-S19 PolarHBondContact N-O 3.5Å; S16-S19 PolarHBondContact O-N 3.4Å; S16-S19 PolarHBondContact OG-N 3.32Å; S16-S19 PolarHBondContact OG-O 3.44Å; S16-S19 PolarHBondContact OG-OG 3.27Å
17F80.8Confident89.4Confident206 Ų20665 Ų6590%0.90435%0.349SS*.SBendtrans-55.9-36.2177.4-177.1-106.6000112.8
18L76.1Confident90.1Very high159 Ų15965 Ų6583%0.83234%0.34SS*.SBendtrans-101.4-16.8-175.3-64.3174.1000114S16S16-L18 PolarHBondContact O-N 3.04Å
19S80Confident90.4Very high47 Ų4766.2 Ų66.233%0.32934%0.342SS..  trans-152.8148.1-17273.70000114.5S16S16-S19 PolarHBondContact N-O 3.5Å; S16-S19 PolarHBondContact O-N 3.4Å; S16-S19 PolarHBondContact OG-N 3.32Å; S16-S19 PolarHBondContact OG-O 3.44Å; S16-S19 PolarHBondContact OG-OG 3.27Å
20K86.4Confident90.5Very high124 Ų12466.2 Ų66.254%0.53934%0.342SS..EExtended strand (participates in β ladder)trans-115.3118.5166-178.8179.2178.5-170.60108T13 V14 K15T13-K20 HydrophobicContact CG2-CD 4.35Å; T13-K20 HydrophobicContact CG2-CG 3.84Å; V14-K20 WeakPolarHBondContact O-CA 3.49Å; K15-K20 HydrophobicContact CG-CD 4.47Å; K15-K20 HydrophobicContact CG-CG 4.09Å
21I87Confident90.8Very high44 Ų4463.8 Ų63.823%0.22633%0.326CS..EExtended strand (participates in β ladder)trans-112.6104.6-178-52.4179.2000108.2T13 V14 V24 I62T13-I21 CarbonylContact C-O 3.47Å; T13-I21 WeakPolarHBondContact CA-O 3.3Å; V14-I21 PolarHBondContact N-O 3.46Å; V14-I21 PolarHBondContact O-N 3.41Å; I21-V24 HydrophobicContact CG2-CG1 3.59Å; I21-I62 HydrophobicContact CD1-CD1 4.17Å; I21-I62 HydrophobicContact CG2-CD1 3.63Å
22P90.5Very high91Very high13 Ų1365 Ų658%0.08433%0.331CS..EExtended strand (participates in β ladder)trans-78.4158.8-179.736.4-40.6000111.8V24 R77 T152 I156P22-V24 PolarHBondContact O-N 3.22Å; P22-R77 PolarHBondContact O-NH2 3.25Å; P22-T152 HydrophobicContact CB-CG2 3.97Å; P22-T152 HydrophobicContact CG-CG2 3.59Å; P22-I156 HydrophobicContact CB-CD1 4.47Å; P22-I156 HydrophobicContact CG-CD1 3.94Å; P22-I156 HydrophobicContact CG-CG1 4.1Å
23S90.7Very high91.3Very high55 Ų5560.6 Ų60.639%0.38531%0.314SS..EExtended strand (participates in β ladder)trans49.361.5164.4-49.20000114R12 R77R12-S23 PolarHBondContact O-N 3.28Å; S23-R77 PolarHBondContact O-NE 3.42Å
24V94.6Very high91.6Very high3 Ų357.2 Ų57.22%0.01829%0.293CS..EExtended strand (participates in β ladder)trans-125154.4176-67.30000111.5R12 V14 I21 P22 I62 F75 Y76R12-V24 PolarHBondContact N-O 3.43Å; R12-V24 WeakPolarHBondContact O-CG2 3.48Å; R12-V24 PolarHBondContact O-N 2.92Å; V14-V24 HydrophobicContact CG2-CG2 3.77Å; I21-V24 HydrophobicContact CG2-CG1 3.59Å; P22-V24 PolarHBondContact O-N 3.22Å; V24-I62 HydrophobicContact CG1-CD1 3.98Å; V24-I62 HydrophobicContact CG1-CG2 4.19Å; V24-F75 HydrophobicContact CB-CB 4.11Å; V24-F75 HydrophobicContact CB-CD1 4.15Å; V24-F75 HydrophobicContact CB-CG 4.33Å; V24-F75 HydrophobicContact CG1-CB 4.17Å; V24-F75 HydrophobicContact CG2-CD1 3.85Å; V24-F75 HydrophobicContact CG2-CE1 4.34Å; V24-F75 HydrophobicContact CG2-CG 4.24Å; V24-Y76 VanDerWaalsContact CA-O 3.31Å; V24-Y76 WeakPolarHBondContact CA-O 3.38Å
25V96.6Very high92Very high3 Ų356.6 Ų56.62%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-124.9152.7170.7-65.30000108.5V9 I11 I30 F75 Y76 F78V9-V25 HydrophobicContact CB-CG1 4.3Å; V9-V25 HydrophobicContact CG1-CB 3.77Å; V9-V25 HydrophobicContact CG1-CG1 3.7Å; V9-V25 HydrophobicContact CG1-CG2 4.48Å; I11-V25 HydrophobicContact CB-CG1 4.33Å; I11-V25 HydrophobicContact CG1-CG1 3.73Å; V25-I30 HydrophobicContact CG2-CD1 3.55Å; V25-I30 HydrophobicContact CG2-CG1 3.91Å; V25-F75 WeakPolarHBondContact O-CA 3.41Å; V25-Y76 PolarHBondContact N-O 2.97Å; V25-Y76 PolarHBondContact O-N 3.39Å; V25-F78 HydrophobicContact CG1-CE2 4.07Å; V25-F78 HydrophobicContact CG2-CE2 4.36Å
26T97.1Very high92.4Very high26 Ų2657 Ų5716%0.1629%0.289CS..EExtended strand (participates in β ladder)trans-85.5154.7175.4690000111T28 D29 I30 T74 F75T26-T28 VanDerWaalsContact C-N 3.33Å; T26-D29 PolarHBondContact O-N 3.23Å; T26-D29 WeakPolarHBondContact OG1-CB 3.48Å; T26-D29 PolarHBondContact OG1-N 2.82Å; T26-D29 VanDerWaalsContact OG1-N 3.07Å; T26-D29 PolarHBondContact OG1-OD2 2.89Å; T26-I30 PolarHBondContact O-N 2.75Å; T26-T74 CarbonylContact C-O 3.51Å; T26-T74 WeakPolarHBondContact CA-O 3.32Å; T26-F75 HydrophobicContact CG2-CD1 4.22Å; T26-F75 HydrophobicContact CG2-CE1 3.97Å
27G97.8Very high92.9Very high0 Ų057.2 Ų57.20%029%0.285CS..Hα-helixtrans-58.5-45.7173.600000111.7D29 I30 V31 K70 D72 T74G27-D29 PolarHBondContact O-N 3.11Å; G27-I30 PolarHBondContact O-N 2.79Å; G27-I30 VanDerWaalsContact O-N 3.11Å; G27-V31 WeakPolarHBondContact O-CG2 3.12Å; G27-V31 PolarHBondContact O-N 2.73Å; G27-K70 CarbonylContact C-O 3.43Å; G27-K70 VanDerWaalsContact CA-O 3.25Å; G27-K70 WeakPolarHBondContact CA-O 3.27Å; G27-D72 PolarHBondContact N-O 2.79Å; G27-T74 PolarHBondContact N-O 3.19Å
28T97.9Very high93.7Very high49 Ų4951.9 Ų51.930%0.30127%0.266SS..Hα-helixtrans-57.5-44.1174.6-59.40000113.1T26 I30 V31 Q32 D71 D72T26-T28 VanDerWaalsContact C-N 3.33Å; T28-I30 VanDerWaalsContact C-N 3.27Å; T28-I30 PolarHBondContact O-N 2.83Å; T28-V31 PolarHBondContact O-N 3.42Å; T28-Q32 HydrophobicContact CG2-CG 4.14Å; T28-Q32 WeakPolarHBondContact O-CB 3.26Å; T28-Q32 VanDerWaalsContact O-CG 3.26Å; T28-Q32 WeakPolarHBondContact O-CG 3.43Å; T28-Q32 PolarHBondContact O-N 3.43Å; T28-D71 WeakPolarHBondContact CA-OD1 3.43Å; T28-D71 WeakPolarHBondContact CB-OD1 3.42Å; T28-D71 PolarHBondContact OG1-OD1 3.4Å; T28-D72 PolarHBondContact N-O 2.7Å; T28-D72 VanDerWaalsContact N-O 3.12Å; T28-D72 WeakPolarHBondContact OG1-CA 3.4Å; T28-D72 PolarHBondContact OG1-N 3.42Å; T28-D72 PolarHBondContact OG1-O 3.19Å
29D97.3Very high94.7Very high43 Ų4349.2 Ų49.223%0.2326%0.261CS..Hα-helixtrans-61.7-36.8177.7-67.3-45.9000111.7V9 P10 T26 G27 W33V9-D29 HydrophobicContact CG1-CB 3.68Å; P10-D29 HydrophobicContact CG-CB 4.31Å; T26-D29 PolarHBondContact O-N 3.23Å; T26-D29 WeakPolarHBondContact OG1-CB 3.48Å; T26-D29 PolarHBondContact OG1-N 2.82Å; T26-D29 VanDerWaalsContact OG1-N 3.07Å; T26-D29 PolarHBondContact OG1-OD2 2.89Å; G27-D29 PolarHBondContact O-N 3.11Å; D29-W33 VanDerWaalsContact O-CB 3.25Å; D29-W33 WeakPolarHBondContact O-CB 3.28Å; D29-W33 PolarHBondContact O-N 3.35Å; D29-W33 VanDerWaalsContact O-N 3.08Å
30I97.9Very high95.6Very high1 Ų147.9 Ų47.91%0.00525%0.249CC..Hα-helixtrans-68.8-48.1176.5-66.9163.7000111.1M1 V9 V25 T26 G27 T28 Q32 W33 L34 I59 M69 Y76M1-I30 HydrophobicContact CE-CB 4.29Å; M1-I30 HydrophobicContact CE-CG1 4.12Å; M1-I30 HydrophobicContact CE-CG2 3.52Å; V9-I30 HydrophobicContact CG1-CG1 4.13Å; V9-I30 HydrophobicContact CG2-CG1 4.47Å; V25-I30 HydrophobicContact CG2-CD1 3.55Å; V25-I30 HydrophobicContact CG2-CG1 3.91Å; T26-I30 PolarHBondContact O-N 2.75Å; G27-I30 PolarHBondContact O-N 2.79Å; G27-I30 VanDerWaalsContact O-N 3.11Å; T28-I30 VanDerWaalsContact C-N 3.27Å; T28-I30 PolarHBondContact O-N 2.83Å; I30-Q32 PolarHBondContact O-N 3.4Å; I30-W33 WeakPolarHBondContact O-CB 3.39Å; I30-W33 PolarHBondContact O-N 3.37Å; I30-L34 HydrophobicContact CG2-CD1 4.03Å; I30-L34 HydrophobicContact CG2-CG 4.39Å; I30-L34 WeakPolarHBondContact O-CG 3.43Å; I30-L34 PolarHBondContact O-N 3.06Å; I30-I59 HydrophobicContact CD1-CD1 4.41Å; I30-I59 HydrophobicContact CD1-CG2 4.05Å; I30-M69 HydrophobicContact CB-CE 4.27Å; I30-M69 HydrophobicContact CB-SD 4.12Å; I30-M69 HydrophobicContact CD1-CE 4.14Å; I30-M69 HydrophobicContact CD1-SD 3.9Å; I30-M69 HydrophobicContact CG2-CE 3.45Å; I30-M69 VanDerWaalsContact CG2-CE 3.45Å; I30-M69 HydrophobicContact CG2-SD 3.93Å; I30-Y76 HydrophobicContact CD1-CD2 4.26Å; I30-Y76 HydrophobicContact CD1-CG 4.1Å
31V98.3Very high96.1Very high0 Ų050.8 Ų50.80%027%0.265CS..Hα-helixtrans-61-47.3-178.41720000110.4G27 T28 W33 L34 M35 A46 I47 M69 D71G27-V31 WeakPolarHBondContact O-CG2 3.12Å; G27-V31 PolarHBondContact O-N 2.73Å; T28-V31 PolarHBondContact O-N 3.42Å; V31-W33 VanDerWaalsContact C-N 3.29Å; V31-W33 PolarHBondContact O-N 3.22Å; V31-L34 PolarHBondContact O-N 3.12Å; V31-L34 VanDerWaalsContact O-N 3.14Å; V31-M35 HydrophobicContact CG1-SD 4.28Å; V31-M35 WeakPolarHBondContact O-CG 3.38Å; V31-M35 PolarHBondContact O-N 3.02Å; V31-A46 HydrophobicContact CG1-CB 4.15Å; V31-I47 HydrophobicContact CG1-CG1 4.03Å; V31-I47 HydrophobicContact CG2-CG1 3.88Å; V31-M69 HydrophobicContact CG2-CG 4.09Å; V31-D71 HydrophobicContact CG1-CB 4.5Å; V31-D71 HydrophobicContact CG2-CB 4.14Å
32Q97.4Very high96.6Very high100 Ų10052.5 Ų52.547%0.46727%0.274SS..Hα-helixtrans-62.6-37176.5-67.2-58.7-40.700112.2T28 I30 K36T28-Q32 HydrophobicContact CG2-CG 4.14Å; T28-Q32 WeakPolarHBondContact O-CB 3.26Å; T28-Q32 VanDerWaalsContact O-CG 3.26Å; T28-Q32 WeakPolarHBondContact O-CG 3.43Å; T28-Q32 PolarHBondContact O-N 3.43Å; I30-Q32 PolarHBondContact O-N 3.4Å; Q32-K36 VanDerWaalsContact O-CB 3.31Å; Q32-K36 WeakPolarHBondContact O-CB 3.39Å; Q32-K36 PolarHBondContact O-N 2.95Å
33W97.4Very high96.9Very high49 Ų4954.5 Ų54.519%0.18629%0.288CS..Hα-helixtrans-64.2-42.6174.2-173.494.8000111.8M1 G7 V9 D29 I30 V31 N37M1-W33 HydrophobicContact CB-CH2 4.41Å; M1-W33 HydrophobicContact CB-CZ2 4.48Å; M1-W33 HydrophobicContact CB-CZ3 4.5Å; M1-W33 HydrophobicContact CE-CE3 4.21Å; M1-W33 HydrophobicContact CG-CD2 4Å; M1-W33 HydrophobicContact CG-CE3 3.51Å; M1-W33 HydrophobicContact CG-CH2 3.48Å; M1-W33 VanDerWaalsContact CG-CH2 3.48Å; M1-W33 HydrophobicContact CG-CZ2 3.94Å; M1-W33 HydrophobicContact CG-CZ3 3.24Å; M1-W33 HydrophobicContact SD-CE3 4.26Å; M1-W33 HydrophobicContact SD-CZ3 4.12Å; G7-W33 VanDerWaalsContact O-CD1 3.25Å; G7-W33 PolarHBondContact O-NE1 3.12Å; V9-W33 HydrophobicContact CG2-CB 3.67Å; V9-W33 HydrophobicContact CG2-CD2 4.13Å; V9-W33 HydrophobicContact CG2-CG 3.57Å; D29-W33 VanDerWaalsContact O-CB 3.25Å; D29-W33 WeakPolarHBondContact O-CB 3.28Å; D29-W33 PolarHBondContact O-N 3.35Å; D29-W33 VanDerWaalsContact O-N 3.08Å; I30-W33 WeakPolarHBondContact O-CB 3.39Å; I30-W33 PolarHBondContact O-N 3.37Å; V31-W33 VanDerWaalsContact C-N 3.29Å; V31-W33 PolarHBondContact O-N 3.22Å; W33-N37 VanDerWaalsContact CD1-ND2 3.34Å; W33-N37 HydrophobicContact CD2-CB 4.4Å; W33-N37 VanDerWaalsContact CE2-ND2 3.3Å; W33-N37 HydrophobicContact CE3-CB 4.44Å; W33-N37 HydrophobicContact CH2-CB 4.14Å; W33-N37 HydrophobicContact CZ2-CB 4.1Å; W33-N37 HydrophobicContact CZ3-CB 4.31Å; W33-N37 PolarHBondContact NE1-ND2 3.2Å; W33-N37 WeakPolarHBondContact O-CB 3.35Å; W33-N37 PolarHBondContact O-N 2.94Å; W33-N37 PolarHBondContact O-ND2 2.99Å
34L97.9Very high97.3Very high3 Ų356.6 Ų56.62%0.01630%0.298CS..Hα-helixtrans-63.2-49.7177.1-71.2169.7000111.1I30 V31 K36 N37 L38 A46 L49 I53I30-L34 HydrophobicContact CG2-CD1 4.03Å; I30-L34 HydrophobicContact CG2-CG 4.39Å; I30-L34 WeakPolarHBondContact O-CG 3.43Å; I30-L34 PolarHBondContact O-N 3.06Å; V31-L34 PolarHBondContact O-N 3.12Å; V31-L34 VanDerWaalsContact O-N 3.14Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 2.92Å; L34-N37 PolarHBondContact O-N 3.41Å; L34-L38 HydrophobicContact CD2-CD1 3.85Å; L34-L38 VanDerWaalsContact O-CB 3.29Å; L34-L38 WeakPolarHBondContact O-CB 3.32Å; L34-L38 PolarHBondContact O-N 2.86Å; L34-A46 HydrophobicContact CB-CB 4.34Å; L34-L49 HydrophobicContact CD2-CD2 4.32Å; L34-I53 HydrophobicContact CD2-CD1 4.31Å
35M97.8Very high97.4Very high33 Ų3361.9 Ų61.916%0.16332%0.322CS..Hα-helixtrans-55.5-48.9177.9-69.3-17876.100112V31 S39 I40 E41 P43 A46V31-M35 HydrophobicContact CG1-SD 4.28Å; V31-M35 WeakPolarHBondContact O-CG 3.38Å; V31-M35 PolarHBondContact O-N 3.02Å; M35-S39 CarbonylContact O-C 3.56Å; M35-S39 VanDerWaalsContact O-CA 3.27Å; M35-S39 WeakPolarHBondContact O-CA 3.5Å; M35-S39 PolarHBondContact O-N 3.5Å; M35-I40 WeakPolarHBondContact CE-O 3.44Å; M35-I40 PolarHBondContact O-N 3.46Å; M35-E41 WeakPolarHBondContact CE-O 3.44Å; M35-P43 HydrophobicContact CE-CB 4.34Å; M35-P43 HydrophobicContact CE-CG 3.79Å; M35-P43 HydrophobicContact SD-CB 4.14Å; M35-P43 HydrophobicContact SD-CG 4.16Å; M35-A46 HydrophobicContact CG-CB 3.45Å; M35-A46 VanDerWaalsContact CG-CB 3.45Å; M35-A46 HydrophobicContact SD-CB 4.43Å
36K96.3Very high97.5Very high172 Ų17261.7 Ų61.775%0.74832%0.321SS*.Hα-helixtrans-67.2-46.4-178.7-178.3-179.3175.3-177.30113.3Q32 L34Q32-K36 VanDerWaalsContact O-CB 3.31Å; Q32-K36 WeakPolarHBondContact O-CB 3.39Å; Q32-K36 PolarHBondContact O-N 2.95Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 2.92Å
37N96.2Very high97.6Very high72 Ų7262.7 Ų62.739%0.38533%0.325SS..Hα-helixtrans-86.7-20.6-170.1-70.8-89.6000113.5W33 L34W33-N37 VanDerWaalsContact CD1-ND2 3.34Å; W33-N37 HydrophobicContact CD2-CB 4.4Å; W33-N37 VanDerWaalsContact CE2-ND2 3.3Å; W33-N37 HydrophobicContact CE3-CB 4.44Å; W33-N37 HydrophobicContact CH2-CB 4.14Å; W33-N37 HydrophobicContact CZ2-CB 4.1Å; W33-N37 HydrophobicContact CZ3-CB 4.31Å; W33-N37 PolarHBondContact NE1-ND2 3.2Å; W33-N37 WeakPolarHBondContact O-CB 3.35Å; W33-N37 PolarHBondContact O-N 2.94Å; W33-N37 PolarHBondContact O-ND2 2.99Å; L34-N37 PolarHBondContact O-N 3.41Å
38L96.7Very high97.6Very high93 Ų9368.2 Ų68.249%0.48735%0.351SS..Hα-helixtrans-107.63.7176.7-56.1179.5000112.6L34 I40 L49L34-L38 HydrophobicContact CD2-CD1 3.85Å; L34-L38 VanDerWaalsContact O-CB 3.29Å; L34-L38 WeakPolarHBondContact O-CB 3.32Å; L34-L38 PolarHBondContact O-N 2.86Å; L38-I40 VanDerWaalsContact C-N 3.29Å; L38-I40 HydrophobicContact CB-CD1 3.98Å; L38-I40 HydrophobicContact CB-CG1 3.95Å; L38-I40 HydrophobicContact CD1-CD1 4.18Å; L38-I40 PolarHBondContact O-N 3.31Å; L38-L49 HydrophobicContact CD1-CD2 3.48Å; L38-L49 VanDerWaalsContact CD1-CD2 3.48Å
39S97.3Very high97.7Very high104 Ų10468.6 Ų68.673%0.72735%0.351SS*.THydrogen-bonded Turntrans54.142.8-177.7-55.30000113M35M35-S39 CarbonylContact O-C 3.56Å; M35-S39 VanDerWaalsContact O-CA 3.27Å; M35-S39 WeakPolarHBondContact O-CA 3.5Å; M35-S39 PolarHBondContact O-N 3.5Å
40I98.1Very high97.7Very high18 Ų1866.6 Ų66.69%0.09234%0.34CS..  trans-85.8120.1177.1-58.4167.2000108.4M35 L38 D42 E45 A46 L49M35-I40 WeakPolarHBondContact CE-O 3.44Å; M35-I40 PolarHBondContact O-N 3.46Å; L38-I40 VanDerWaalsContact C-N 3.29Å; L38-I40 HydrophobicContact CB-CD1 3.98Å; L38-I40 HydrophobicContact CB-CG1 3.95Å; L38-I40 HydrophobicContact CD1-CD1 4.18Å; L38-I40 PolarHBondContact O-N 3.31Å; I40-D42 VanDerWaalsContact CG2-O 3.27Å; I40-D42 WeakPolarHBondContact CG2-O 3.26Å; I40-E45 HydrophobicContact CG2-CB 3.74Å; I40-E45 HydrophobicContact CG2-CG 3.88Å; I40-A46 HydrophobicContact CB-CB 4.47Å; I40-A46 HydrophobicContact CD1-CB 4.2Å; I40-A46 HydrophobicContact CG2-CB 4.09Å; I40-L49 HydrophobicContact CD1-CD2 4.01Å
41E97.3Very high97.7Very high185 Ų18567.7 Ų67.786%0.86435%0.348SS*.  trans-81.8-40-178.8-63.9-175.1175.500112.4M35 P43M35-E41 WeakPolarHBondContact CE-O 3.44Å; E41-P43 WeakPolarHBondContact O-CD 3.35Å
42D97.6Very high97.7Very high80 Ų8071.9 Ų71.943%0.42837%0.369SS..  trans-86.6117.1179.8-176.81.4000111.3I40 V44 E45 A46I40-D42 VanDerWaalsContact CG2-O 3.27Å; I40-D42 WeakPolarHBondContact CG2-O 3.26Å; D42-V44 PolarHBondContact O-N 3.34Å; D42-V44 VanDerWaalsContact O-N 3.16Å; D42-V44 WeakPolarHBondContact OD1-CB 3.34Å; D42-V44 PolarHBondContact OD1-N 2.93Å; D42-E45 HydrophobicContact CB-CB 4.29Å; D42-E45 WeakPolarHBondContact O-CB 3.37Å; D42-E45 PolarHBondContact O-N 3.32Å; D42-E45 VanDerWaalsContact O-N 3.12Å; D42-A46 PolarHBondContact O-N 3.46Å
43P97.2Very high97.8Very high56 Ų5669.1 Ų69.136%0.36436%0.357SS..Hα-helixtrans-55-32.1174.4-23.432.6000113.6M35 E41 E45 A46 I47M35-P43 HydrophobicContact CE-CB 4.34Å; M35-P43 HydrophobicContact CE-CG 3.79Å; M35-P43 HydrophobicContact SD-CB 4.14Å; M35-P43 HydrophobicContact SD-CG 4.16Å; E41-P43 WeakPolarHBondContact O-CD 3.35Å; P43-E45 VanDerWaalsContact C-N 3.33Å; P43-E45 PolarHBondContact O-N 2.84Å; P43-A46 PolarHBondContact O-N 3.06Å; P43-I47 WeakPolarHBondContact O-CD1 3.48Å; P43-I47 VanDerWaalsContact O-CG1 3.22Å; P43-I47 WeakPolarHBondContact O-CG1 3.49Å; P43-I47 PolarHBondContact O-N 3.48Å
44V98.1Very high97.8Very high98 Ų9866.8 Ų66.859%0.59435%0.349SS*.Hα-helixtrans-64.6-39.5179.9-179.10000110.8D42 I47 H48D42-V44 PolarHBondContact O-N 3.34Å; D42-V44 VanDerWaalsContact O-N 3.16Å; D42-V44 WeakPolarHBondContact OD1-CB 3.34Å; D42-V44 PolarHBondContact OD1-N 2.93Å; V44-I47 PolarHBondContact O-N 3.33Å; V44-H48 WeakPolarHBondContact O-CB 3.42Å; V44-H48 PolarHBondContact O-N 3.18Å
45E98.4Very high97.8Very high114 Ų11467.9 Ų67.953%0.53336%0.358SS..Hα-helixtrans-64.3-43.3174.7-179.6178.1-169.900111.2I40 D42 P43 H48 L49I40-E45 HydrophobicContact CG2-CB 3.74Å; I40-E45 HydrophobicContact CG2-CG 3.88Å; D42-E45 HydrophobicContact CB-CB 4.29Å; D42-E45 WeakPolarHBondContact O-CB 3.37Å; D42-E45 PolarHBondContact O-N 3.32Å; D42-E45 VanDerWaalsContact O-N 3.12Å; P43-E45 VanDerWaalsContact C-N 3.33Å; P43-E45 PolarHBondContact O-N 2.84Å; E45-H48 PolarHBondContact O-N 2.86Å; E45-L49 PolarHBondContact O-N 3.49Å
46A98.4Very high97.7Very high0 Ų069.8 Ų69.80%037%0.367CS..Hα-helixtrans-65-41.2178.200000112.4V31 L34 M35 I40 D42 P43 H48 G50V31-A46 HydrophobicContact CG1-CB 4.15Å; L34-A46 HydrophobicContact CB-CB 4.34Å; M35-A46 HydrophobicContact CG-CB 3.45Å; M35-A46 VanDerWaalsContact CG-CB 3.45Å; M35-A46 HydrophobicContact SD-CB 4.43Å; I40-A46 HydrophobicContact CB-CB 4.47Å; I40-A46 HydrophobicContact CD1-CB 4.2Å; I40-A46 HydrophobicContact CG2-CB 4.09Å; D42-A46 PolarHBondContact O-N 3.46Å; P43-A46 PolarHBondContact O-N 3.06Å; A46-H48 VanDerWaalsContact C-N 3.34Å; A46-G50 PolarHBondContact O-N 2.64Å
47I98.4Very high97.7Very high47 Ų4761.7 Ų61.724%0.24133%0.332CS..Hα-helixtrans-64-41.3174.2-67162.7000110.6V31 P43 V44 G50 S51 D71V31-I47 HydrophobicContact CG1-CG1 4.03Å; V31-I47 HydrophobicContact CG2-CG1 3.88Å; P43-I47 WeakPolarHBondContact O-CD1 3.48Å; P43-I47 VanDerWaalsContact O-CG1 3.22Å; P43-I47 WeakPolarHBondContact O-CG1 3.49Å; P43-I47 PolarHBondContact O-N 3.48Å; V44-I47 PolarHBondContact O-N 3.33Å; I47-G50 PolarHBondContact O-N 3.35Å; I47-S51 WeakPolarHBondContact O-CB 3.48Å; I47-S51 PolarHBondContact O-N 3.12Å; I47-S51 PolarHBondContact O-OG 3.01Å; I47-D71 HydrophobicContact CD1-CB 3.69Å; I47-D71 HydrophobicContact CG1-CB 3.97Å
48H98.5Very high97.8Very high115 Ų11562 Ų6253%0.53233%0.329SS..Hα-helixtrans-62.3-50.5177.1-177.470000111.4V44 E45 A46 G50 S51 L52V44-H48 WeakPolarHBondContact O-CB 3.42Å; V44-H48 PolarHBondContact O-N 3.18Å; E45-H48 PolarHBondContact O-N 2.86Å; A46-H48 VanDerWaalsContact C-N 3.34Å; H48-G50 VanDerWaalsContact C-N 3.34Å; H48-G50 PolarHBondContact O-N 3.07Å; H48-S51 WeakPolarHBondContact O-CB 3.26Å; H48-S51 PolarHBondContact O-N 3.14Å; H48-S51 VanDerWaalsContact O-N 3.13Å; H48-L52 WeakPolarHBondContact O-CG 3.44Å; H48-L52 PolarHBondContact O-N 3.38Å
49L98.6Very high97.9Very high58 Ų5857.7 Ų57.730%0.30431%0.306SS..Hα-helixtrans-59.1-45.4176177.660.5000111.5L34 L38 I40 E45 S51 L52 I53L34-L49 HydrophobicContact CD2-CD2 4.32Å; L38-L49 HydrophobicContact CD1-CD2 3.48Å; L38-L49 VanDerWaalsContact CD1-CD2 3.48Å; I40-L49 HydrophobicContact CD1-CD2 4.01Å; E45-L49 PolarHBondContact O-N 3.49Å; L49-S51 VanDerWaalsContact C-N 3.29Å; L49-S51 PolarHBondContact O-N 3.26Å; L49-L52 PolarHBondContact O-N 2.9Å; L49-I53 HydrophobicContact CD1-CD1 4.41Å; L49-I53 HydrophobicContact CG-CD1 4.17Å; L49-I53 WeakPolarHBondContact O-CG1 3.36Å; L49-I53 PolarHBondContact O-N 3.43Å
50G98.3Very high97.9Very high0 Ų052.7 Ų52.70%027%0.271CS..Hα-helixtrans-57.3-42.9174.500000112.4A46 I47 H48 I53 A54 M69A46-G50 PolarHBondContact O-N 2.64Å; I47-G50 PolarHBondContact O-N 3.35Å; H48-G50 VanDerWaalsContact C-N 3.34Å; H48-G50 PolarHBondContact O-N 3.07Å; G50-I53 PolarHBondContact O-N 3.45Å; G50-A54 PolarHBondContact O-N 2.86Å; G50-M69 VanDerWaalsContact CA-CE 3.48Å; G50-M69 WeakPolarHBondContact O-CE 3.26Å
51S98.3Very high97.9Very high24 Ų2452 Ų5217%0.16827%0.268CS..Hα-helixtrans-65.5-37.6177.3-63.50000112.1I47 H48 L49 A54 A55 M69I47-S51 WeakPolarHBondContact O-CB 3.48Å; I47-S51 PolarHBondContact O-N 3.12Å; I47-S51 PolarHBondContact O-OG 3.01Å; H48-S51 WeakPolarHBondContact O-CB 3.26Å; H48-S51 PolarHBondContact O-N 3.14Å; H48-S51 VanDerWaalsContact O-N 3.13Å; L49-S51 VanDerWaalsContact C-N 3.29Å; L49-S51 PolarHBondContact O-N 3.26Å; S51-A54 PolarHBondContact O-N 3.16Å; S51-A55 WeakPolarHBondContact O-CB 3.39Å; S51-A55 PolarHBondContact O-N 3.28Å; S51-M69 WeakPolarHBondContact OG-CB 3.33Å; S51-M69 PolarHBondContact OG-N 3.16Å
52L98.4Very high97.8Very high88 Ų8844.9 Ų44.946%0.46124%0.235SC..Hα-helixtrans-65.3-41.7173.5-68.8176.7000112H48 L49 A54 A55 Q56H48-L52 WeakPolarHBondContact O-CG 3.44Å; H48-L52 PolarHBondContact O-N 3.38Å; L49-L52 PolarHBondContact O-N 2.9Å; L52-A54 VanDerWaalsContact C-N 3.26Å; L52-A54 PolarHBondContact O-N 3.47Å; L52-A55 PolarHBondContact O-N 3.08Å; L52-Q56 VanDerWaalsContact O-CG 3.27Å; L52-Q56 WeakPolarHBondContact O-CG 3.44Å; L52-Q56 PolarHBondContact O-N 2.94Å
53I98Very high97.4Very high42 Ų4245.9 Ų45.922%0.21525%0.249CC..Hα-helixtrans-60.4-40.2174.2-66.9167.1000110.3L34 L49 G50 G57 Y58 I59L34-I53 HydrophobicContact CD2-CD1 4.31Å; L49-I53 HydrophobicContact CD1-CD1 4.41Å; L49-I53 HydrophobicContact CG-CD1 4.17Å; L49-I53 WeakPolarHBondContact O-CG1 3.36Å; L49-I53 PolarHBondContact O-N 3.43Å; G50-I53 PolarHBondContact O-N 3.45Å; I53-G57 PolarHBondContact O-N 3.22Å; I53-Y58 PolarHBondContact O-N 2.89Å; I53-I59 HydrophobicContact CG2-CD1 4.03Å; I53-I59 HydrophobicContact CG2-CG1 4.13Å
54A98.1Very high97.3Very high0 Ų046.1 Ų46.10%025%0.247CC..Hα-helixtrans-68.8-44.9177.600000112.6G50 S51 L52 Q56 G57 I59G50-A54 PolarHBondContact O-N 2.86Å; S51-A54 PolarHBondContact O-N 3.16Å; L52-A54 VanDerWaalsContact C-N 3.26Å; L52-A54 PolarHBondContact O-N 3.47Å; A54-Q56 PolarHBondContact O-N 3.37Å; A54-G57 WeakPolarHBondContact O-CA 3.21Å; A54-G57 PolarHBondContact O-N 3.46Å; A54-I59 WeakPolarHBondContact CA-O 3.48Å; A54-I59 WeakPolarHBondContact CB-O 3.31Å
55A97.5Very high97.2Very high26 Ų2643.2 Ų43.222%0.21523%0.227CC..Hα-helixtrans-63.8-23.8177.600000113.3S51 L52 G57 L67 T177S51-A55 WeakPolarHBondContact O-CB 3.39Å; S51-A55 PolarHBondContact O-N 3.28Å; L52-A55 PolarHBondContact O-N 3.08Å; A55-G57 VanDerWaalsContact C-N 3.29Å; A55-L67 PolarHBondContact N-O 3.04Å; A55-T177 HydrophobicContact CB-CG2 3.84Å; A55-T177 WeakPolarHBondContact O-CG2 3.46Å; A55-T177 PolarHBondContact O-OG1 3.03Å
56Q96.4Very high97.1Very high73 Ų7339.9 Ų39.934%0.34121%0.214SC..THydrogen-bonded Turntrans-85.31.2170.2-64.8-68.2-1600112.8L52 A54 Y58 P85L52-Q56 VanDerWaalsContact O-CG 3.27Å; L52-Q56 WeakPolarHBondContact O-CG 3.44Å; L52-Q56 PolarHBondContact O-N 2.94Å; A54-Q56 PolarHBondContact O-N 3.37Å; Q56-Y58 HydrophobicContact CB-CD2 3.78Å; Q56-Y58 HydrophobicContact CB-CE2 3.81Å; Q56-Y58 PolarHBondContact O-N 3.31Å; Q56-P85 WeakPolarHBondContact O-CD 3.24Å; Q56-P85 WeakPolarHBondContact O-CG 3.48Å
57G96.9Very high97.1Very high3 Ų340.7 Ų40.73%0.03122%0.218CC..THydrogen-bonded Turntrans77.216173.100000115.8I53 A54 A55 Q79I53-G57 PolarHBondContact O-N 3.22Å; A54-G57 WeakPolarHBondContact O-CA 3.21Å; A54-G57 PolarHBondContact O-N 3.46Å; A55-G57 VanDerWaalsContact C-N 3.29Å; G57-Q79 WeakPolarHBondContact O-CB 3.21Å; G57-Q79 WeakPolarHBondContact O-CG 3.45Å
58Y98Very high97.1Very high78 Ų7841 Ų4131%0.30622%0.223SC..SBendtrans-77.3-30.3174.6-69.3-77.3000112.4I53 Q56 Q79 W84I53-Y58 PolarHBondContact O-N 2.89Å; Q56-Y58 HydrophobicContact CB-CD2 3.78Å; Q56-Y58 HydrophobicContact CB-CE2 3.81Å; Q56-Y58 PolarHBondContact O-N 3.31Å; Y58-Q79 WeakPolarHBondContact O-CB 3.47Å; Y58-Q79 PolarHBondContact O-N 2.84Å; Y58-W84 AromaticContact CD1-CD1 3.85Å; Y58-W84 AromaticContact CD1-CD2 3.99Å; Y58-W84 HydrophobicContact CD1-CD2 3.99Å; Y58-W84 AromaticContact CD1-CE2 3.9Å; Y58-W84 AromaticContact CD1-CG 3.96Å; Y58-W84 HydrophobicContact CD1-CG 3.96Å; Y58-W84 AromaticContact CD1-NE1 3.82Å; Y58-W84 HydrophobicContact CE1-CB 4.11Å; Y58-W84 AromaticContact CE1-CD2 3.75Å; Y58-W84 HydrophobicContact CE1-CD2 3.75Å; Y58-W84 HydrophobicContact CE1-CE3 4.16Å; Y58-W84 AromaticContact CE1-CG 3.73Å; Y58-W84 HydrophobicContact CE1-CG 3.73Å
59I97.8Very high97Very high2 Ų236 Ų361%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-137.3144.4177.7-56.8177000106.8M1 I30 I53 A54 Y76 R77 F78M1-I59 HydrophobicContact CE-CD1 3.69Å; M1-I59 HydrophobicContact SD-CD1 3.94Å; I30-I59 HydrophobicContact CD1-CD1 4.41Å; I30-I59 HydrophobicContact CD1-CG2 4.05Å; I53-I59 HydrophobicContact CG2-CD1 4.03Å; I53-I59 HydrophobicContact CG2-CG1 4.13Å; A54-I59 WeakPolarHBondContact CA-O 3.48Å; A54-I59 WeakPolarHBondContact CB-O 3.31Å; I59-Y76 HydrophobicContact CG2-CD1 4Å; I59-Y76 HydrophobicContact CG2-CG 4.2Å; I59-R77 CarbonylContact C-O 3.58Å; I59-R77 VanDerWaalsContact CA-O 3.32Å; I59-R77 WeakPolarHBondContact CA-O 3.37Å; I59-F78 HydrophobicContact CD1-CD1 4Å; I59-F78 HydrophobicContact CD1-CE1 3.57Å; I59-F78 HydrophobicContact CD1-CZ 4.43Å; I59-F78 HydrophobicContact CG1-CD1 3.67Å; I59-F78 HydrophobicContact CG1-CE1 3.81Å
60F98.3Very high97Very high0 Ų037.5 Ų37.50%020%0.204CC..EExtended strand (participates in β ladder)trans-144.1145.5-179.657.2-91000112.1L67 Y76 R77 Q79 S159 Q160 A163F60-L67 HydrophobicContact CB-CD2 3.76Å; F60-Y76 CarbonylContact O-C 3.49Å; F60-Y76 VanDerWaalsContact O-CA 3.27Å; F60-Y76 WeakPolarHBondContact O-CA 3.23Å; F60-R77 WeakPolarHBondContact CD1-O 3.47Å; F60-R77 HydrophobicContact CE1-CB 4.33Å; F60-R77 HydrophobicContact CE2-CB 4.02Å; F60-R77 HydrophobicContact CZ-CB 3.88Å; F60-R77 HydrophobicContact CZ-CG 4.12Å; F60-R77 PolarHBondContact N-O 3.28Å; F60-R77 PolarHBondContact O-N 3.22Å; F60-Q79 HydrophobicContact CD1-CB 4.29Å; F60-Q79 HydrophobicContact CE1-CB 4.19Å; F60-S159 WeakPolarHBondContact CE2-O 3.22Å; F60-Q160 HydrophobicContact CE1-CG 4.11Å; F60-Q160 HydrophobicContact CZ-CB 4.45Å; F60-Q160 HydrophobicContact CZ-CG 3.82Å; F60-A163 HydrophobicContact CB-CB 3.62Å; F60-A163 HydrophobicContact CD1-CB 3.33Å; F60-A163 HydrophobicContact CD2-CB 3.57Å; F60-A163 HydrophobicContact CE1-CB 3.77Å; F60-A163 HydrophobicContact CE2-CB 3.99Å; F60-A163 HydrophobicContact CG-CB 3.21Å; F60-A163 HydrophobicContact CZ-CB 4.08Å
61P97.6Very high96.9Very high4 Ų440.6 Ų40.63%0.02622%0.22CC..EExtended strand (participates in β ladder)trans-67.8135.9172.627.7-31.6000109.6S63 D64 V66 T74 Y76 R162P61-S63 VanDerWaalsContact C-N 3.28Å; P61-S63 PolarHBondContact O-N 3.38Å; P61-D64 HydrophobicContact CB-CB 4.3Å; P61-D64 HydrophobicContact CG-CB 4.12Å; P61-V66 WeakPolarHBondContact CG-O 3.46Å; P61-T74 HydrophobicContact CB-CG2 4.45Å; P61-Y76 HydrophobicContact CB-CD1 4.11Å; P61-Y76 HydrophobicContact CB-CE1 3.76Å; P61-Y76 HydrophobicContact CG-CE1 4.21Å; P61-R162 PolarHBondContact O-NH2 3.49Å
62I94.7Very high96.8Very high34 Ų3442.6 Ų42.617%0.17423%0.229CC..SBendtrans-74.8-21.4-17667.4175.7000113I21 V24 F75 R77 R162I21-I62 HydrophobicContact CD1-CD1 4.17Å; I21-I62 HydrophobicContact CG2-CD1 3.63Å; V24-I62 HydrophobicContact CG1-CD1 3.98Å; V24-I62 HydrophobicContact CG1-CG2 4.19Å; I62-F75 HydrophobicContact CD1-CB 3.51Å; I62-F75 HydrophobicContact CD1-CD2 4.29Å; I62-F75 HydrophobicContact CD1-CG 4.3Å; I62-F75 HydrophobicContact CG1-CB 3.87Å; I62-F75 PolarHBondContact N-O 2.91Å; I62-R77 HydrophobicContact CG2-CB 4.06Å; I62-R162 VanDerWaalsContact C-NH2 3.31Å; I62-R162 PolarHBondContact O-NH2 3.03Å
63S90.7Very high96.7Very high102 Ų10240.9 Ų40.971%0.71323%0.233SC*.SBendtrans-107.1-7-168.2-23.40000114.3P61P61-S63 VanDerWaalsContact C-N 3.28Å; P61-S63 PolarHBondContact O-N 3.38Å
64D93.9Very high96.7Very high60 Ų6040.4 Ų40.432%0.32123%0.232SC..  trans-137.1148.8-169.5-159.6-21.5000109.9P61 V66 R162P61-D64 HydrophobicContact CB-CB 4.3Å; P61-D64 HydrophobicContact CG-CB 4.12Å; D64-V66 PolarHBondContact OD1-N 3.06Å; D64-R162 PolarHBondContact O-NH1 2.85Å; D64-R162 PolarHBondContact O-NH2 3.3Å
65H96.1Very high96.7Very high38 Ų3843 Ų4318%0.17624%0.243CC..SBendtrans-85.8-19.5173-76.3-87000112.1L67 Y116 E117 D166 V171H65-L67 PolarHBondContact O-N 3.5Å; H65-Y116 PolarHBondContact ND1-OH 3.02Å; H65-E117 IonicContact CE1-OE1 2.67Å; H65-E117 IonicContact CE1-OE2 2.8Å; H65-E117 IonicContact NE2-OE2 2.72Å; H65-D166 IonicContact CE1-OD1 2.93Å; H65-D166 IonicContact CG-OD1 3.23Å; H65-D166 IonicContact ND1-OD1 3.55Å; H65-D166 PolarHBondContact ND1-OD1 3.23Å; H65-D166 IonicContact ND1-OD2 3.36Å; H65-V171 HydrophobicContact CB-CG2 3.53Å
66V97.4Very high96.7Very high44 Ų4441.9 Ų41.927%0.26723%0.233SC..SBendtrans-79.6114.2176.4-178.80000110P61 D64 T68 V171P61-V66 WeakPolarHBondContact CG-O 3.46Å; D64-V66 PolarHBondContact OD1-N 3.06Å; V66-T68 VanDerWaalsContact C-N 3.33Å; V66-T68 HydrophobicContact CG1-CG2 3.84Å; V66-T68 PolarHBondContact O-N 3.26Å; V66-V171 HydrophobicContact CG2-CB 4.46Å; V66-V171 HydrophobicContact CG2-CG2 4.22Å
67L97.8Very high96.7Very high16 Ų1639.2 Ų39.28%0.08422%0.22CC..  trans-81.372-175.1-60.3-177.6000112.5A55 F60 H65 D166 V167A55-L67 PolarHBondContact N-O 3.04Å; F60-L67 HydrophobicContact CB-CD2 3.76Å; H65-L67 PolarHBondContact O-N 3.5Å; L67-D166 HydrophobicContact CD1-CB 3.86Å; L67-D166 HydrophobicContact CD2-CB 3.99Å; L67-D166 HydrophobicContact CG-CB 3.9Å; L67-V167 HydrophobicContact CD1-CB 4.44Å; L67-V167 HydrophobicContact CD1-CG2 3.47Å; L67-V167 VanDerWaalsContact CD1-CG2 3.47Å
68T97.3Very high96.8Very high55 Ų5540.2 Ų40.234%0.33722%0.224SC..  trans-127.8152.4178.854.70000112.5V66 Y76V66-T68 VanDerWaalsContact C-N 3.33Å; V66-T68 HydrophobicContact CG1-CG2 3.84Å; V66-T68 PolarHBondContact O-N 3.26Å; T68-Y76 VanDerWaalsContact O-CE1 3.29Å; T68-Y76 WeakPolarHBondContact O-CE1 3.26Å; T68-Y76 PolarHBondContact O-OH 3.2Å
69M97.5Very high96.8Very high9 Ų936.8 Ų36.84%0.04421%0.21CC..  trans-90137.7175.1-165.378.768.200110.5I30 V31 G50 S51 Y76I30-M69 HydrophobicContact CB-CE 4.27Å; I30-M69 HydrophobicContact CB-SD 4.12Å; I30-M69 HydrophobicContact CD1-CE 4.14Å; I30-M69 HydrophobicContact CD1-SD 3.9Å; I30-M69 HydrophobicContact CG2-CE 3.45Å; I30-M69 VanDerWaalsContact CG2-CE 3.45Å; I30-M69 HydrophobicContact CG2-SD 3.93Å; V31-M69 HydrophobicContact CG2-CG 4.09Å; G50-M69 VanDerWaalsContact CA-CE 3.48Å; G50-M69 WeakPolarHBondContact O-CE 3.26Å; S51-M69 WeakPolarHBondContact OG-CB 3.33Å; S51-M69 PolarHBondContact OG-N 3.16Å; M69-Y76 VanDerWaalsContact CA-OH 3.29Å; M69-Y76 WeakPolarHBondContact CA-OH 3.48Å; M69-Y76 HydrophobicContact SD-CD1 4.41Å; M69-Y76 HydrophobicContact SD-CD2 4.37Å; M69-Y76 HydrophobicContact SD-CE1 4.17Å; M69-Y76 HydrophobicContact SD-CE2 4.12Å
70K97.4Very high96.7Very high90 Ų9037.8 Ų37.839%0.39122%0.219SC..  trans-120.5134.6170.8-62.6179.8-177.1173.90108.4G27 D72 Y76G27-K70 CarbonylContact C-O 3.43Å; G27-K70 VanDerWaalsContact CA-O 3.25Å; G27-K70 WeakPolarHBondContact CA-O 3.27Å; K70-D72 WeakPolarHBondContact CB-OD1 3.47Å; K70-D72 PolarHBondContact O-N 2.77Å; K70-Y76 PolarHBondContact N-OH 3.08Å
71D97.3Very high96.6Very high64 Ų6441.6 Ų41.634%0.34224%0.244SC..SBendtrans-82.868.4172.9-172.913.9000110.3T28 V31 I47T28-D71 WeakPolarHBondContact CA-OD1 3.43Å; T28-D71 WeakPolarHBondContact CB-OD1 3.42Å; T28-D71 PolarHBondContact OG1-OD1 3.4Å; V31-D71 HydrophobicContact CG1-CB 4.5Å; V31-D71 HydrophobicContact CG2-CB 4.14Å; I47-D71 HydrophobicContact CD1-CB 3.69Å; I47-D71 HydrophobicContact CG1-CB 3.97Å
72D96.9Very high96.5Very high66 Ų6648.3 Ų48.335%0.35327%0.27SS..SBendtrans-151.2-167.9177.964.818.8000111.1G27 T28 K70 T74G27-D72 PolarHBondContact N-O 2.79Å; T28-D72 PolarHBondContact N-O 2.7Å; T28-D72 VanDerWaalsContact N-O 3.12Å; T28-D72 WeakPolarHBondContact OG1-CA 3.4Å; T28-D72 PolarHBondContact OG1-N 3.42Å; T28-D72 PolarHBondContact OG1-O 3.19Å; K70-D72 WeakPolarHBondContact CB-OD1 3.47Å; K70-D72 PolarHBondContact O-N 2.77Å; D72-T74 PolarHBondContact O-N 3.14Å; D72-T74 VanDerWaalsContact O-N 3.13Å; D72-T74 WeakPolarHBondContact OD1-CA 3.49Å; D72-T74 WeakPolarHBondContact OD1-CB 3.33Å; D72-T74 PolarHBondContact OD1-N 2.87Å; D72-T74 PolarHBondContact OD1-OG1 3.19Å; D72-T74 PolarHBondContact OD2-OG1 3.38Å
73G96.1Very high96.6Very high52 Ų5248.5 Ų48.554%0.53627%0.27SS..SBendtrans-71.47.7176.700000115.5F75G73-F75 PolarHBondContact O-N 3.16Å
74T97Very high96.8Very high32 Ų3247.5 Ų47.520%0.19625%0.25CS..  trans-59135.4176.7-63.70000110.2T26 G27 P61 D72 Y76T26-T74 CarbonylContact C-O 3.51Å; T26-T74 WeakPolarHBondContact CA-O 3.32Å; G27-T74 PolarHBondContact N-O 3.19Å; P61-T74 HydrophobicContact CB-CG2 4.45Å; D72-T74 PolarHBondContact O-N 3.14Å; D72-T74 VanDerWaalsContact O-N 3.13Å; D72-T74 WeakPolarHBondContact OD1-CA 3.49Å; D72-T74 WeakPolarHBondContact OD1-CB 3.33Å; D72-T74 PolarHBondContact OD1-N 2.87Å; D72-T74 PolarHBondContact OD1-OG1 3.19Å; D72-T74 PolarHBondContact OD2-OG1 3.38Å; T74-Y76 HydrophobicContact CG2-CD2 4.37Å; T74-Y76 HydrophobicContact CG2-CE2 3.67Å; T74-Y76 VanDerWaalsContact O-CD2 3.31Å; T74-Y76 WeakPolarHBondContact O-CD2 3.36Å
75F97.4Very high96.6Very high56 Ų5646.4 Ų46.425%0.24625%0.246CC..EExtended strand (participates in β ladder)trans-90.4130.7-178.5-65.1-54.6000112.3V14 V24 V25 T26 I62 G73V14-F75 HydrophobicContact CB-CZ 4.31Å; V14-F75 HydrophobicContact CG1-CE2 4.41Å; V14-F75 HydrophobicContact CG1-CZ 4.04Å; V14-F75 HydrophobicContact CG2-CE1 3.75Å; V14-F75 HydrophobicContact CG2-CZ 3.75Å; V24-F75 HydrophobicContact CB-CB 4.11Å; V24-F75 HydrophobicContact CB-CD1 4.15Å; V24-F75 HydrophobicContact CB-CG 4.33Å; V24-F75 HydrophobicContact CG1-CB 4.17Å; V24-F75 HydrophobicContact CG2-CD1 3.85Å; V24-F75 HydrophobicContact CG2-CE1 4.34Å; V24-F75 HydrophobicContact CG2-CG 4.24Å; V25-F75 WeakPolarHBondContact O-CA 3.41Å; T26-F75 HydrophobicContact CG2-CD1 4.22Å; T26-F75 HydrophobicContact CG2-CE1 3.97Å; I62-F75 HydrophobicContact CD1-CB 3.51Å; I62-F75 HydrophobicContact CD1-CD2 4.29Å; I62-F75 HydrophobicContact CD1-CG 4.3Å; I62-F75 HydrophobicContact CG1-CB 3.87Å; I62-F75 PolarHBondContact N-O 2.91Å; G73-F75 PolarHBondContact O-N 3.16Å
76Y98Very high96.2Very high1 Ų148 Ų480%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-118161.5176.9-67-93.7000111.2V24 V25 I30 I59 F60 P61 T68 M69 K70 T74V24-Y76 VanDerWaalsContact CA-O 3.31Å; V24-Y76 WeakPolarHBondContact CA-O 3.38Å; V25-Y76 PolarHBondContact N-O 2.97Å; V25-Y76 PolarHBondContact O-N 3.39Å; I30-Y76 HydrophobicContact CD1-CD2 4.26Å; I30-Y76 HydrophobicContact CD1-CG 4.1Å; I59-Y76 HydrophobicContact CG2-CD1 4Å; I59-Y76 HydrophobicContact CG2-CG 4.2Å; F60-Y76 CarbonylContact O-C 3.49Å; F60-Y76 VanDerWaalsContact O-CA 3.27Å; F60-Y76 WeakPolarHBondContact O-CA 3.23Å; P61-Y76 HydrophobicContact CB-CD1 4.11Å; P61-Y76 HydrophobicContact CB-CE1 3.76Å; P61-Y76 HydrophobicContact CG-CE1 4.21Å; T68-Y76 VanDerWaalsContact O-CE1 3.29Å; T68-Y76 WeakPolarHBondContact O-CE1 3.26Å; T68-Y76 PolarHBondContact O-OH 3.2Å; M69-Y76 VanDerWaalsContact CA-OH 3.29Å; M69-Y76 WeakPolarHBondContact CA-OH 3.48Å; M69-Y76 HydrophobicContact SD-CD1 4.41Å; M69-Y76 HydrophobicContact SD-CD2 4.37Å; M69-Y76 HydrophobicContact SD-CE1 4.17Å; M69-Y76 HydrophobicContact SD-CE2 4.12Å; K70-Y76 PolarHBondContact N-OH 3.08Å; T74-Y76 HydrophobicContact CG2-CD2 4.37Å; T74-Y76 HydrophobicContact CG2-CE2 3.67Å; T74-Y76 VanDerWaalsContact O-CD2 3.31Å; T74-Y76 WeakPolarHBondContact O-CD2 3.36Å
77R97.5Very high95.7Very high18 Ų1849.9 Ų49.97%0.06827%0.27CS..EExtended strand (participates in β ladder)trans-136.5146.6172.3-173.3174.3-70.3159.1-3.1110.9P22 S23 I59 F60 I62 I156 S159P22-R77 PolarHBondContact O-NH2 3.25Å; S23-R77 PolarHBondContact O-NE 3.42Å; I59-R77 CarbonylContact C-O 3.58Å; I59-R77 VanDerWaalsContact CA-O 3.32Å; I59-R77 WeakPolarHBondContact CA-O 3.37Å; F60-R77 WeakPolarHBondContact CD1-O 3.47Å; F60-R77 HydrophobicContact CE1-CB 4.33Å; F60-R77 HydrophobicContact CE2-CB 4.02Å; F60-R77 HydrophobicContact CZ-CB 3.88Å; F60-R77 HydrophobicContact CZ-CG 4.12Å; F60-R77 PolarHBondContact N-O 3.28Å; F60-R77 PolarHBondContact O-N 3.22Å; I62-R77 HydrophobicContact CG2-CB 4.06Å; R77-I156 VanDerWaalsContact NH1-CA 3.33Å; R77-S159 PolarHBondContact NH1-OG 3.39Å
78F97.8Very high94.8Very high24 Ų2453.7 Ų53.711%0.10530%0.297CS..EExtended strand (participates in β ladder)trans-73.5137.2171-65.9-77.3000111.4M1 Q2 I11 V25 I59M1-F78 HydrophobicContact CB-CE1 3.9Å; M1-F78 HydrophobicContact CB-CZ 3.95Å; M1-F78 HydrophobicContact CE-CE1 4.2Å; M1-F78 HydrophobicContact CE-CZ 4.28Å; M1-F78 HydrophobicContact SD-CE1 4.28Å; Q2-F78 HydrophobicContact CG-CD1 3.83Å; Q2-F78 HydrophobicContact CG-CD2 3.66Å; Q2-F78 HydrophobicContact CG-CE1 3.85Å; Q2-F78 HydrophobicContact CG-CE2 3.68Å; Q2-F78 HydrophobicContact CG-CG 3.75Å; Q2-F78 HydrophobicContact CG-CZ 3.78Å; I11-F78 HydrophobicContact CD1-CD2 4.31Å; I11-F78 HydrophobicContact CD1-CE2 4.26Å; I11-F78 HydrophobicContact CG1-CE2 4.35Å; V25-F78 HydrophobicContact CG1-CE2 4.07Å; V25-F78 HydrophobicContact CG2-CE2 4.36Å; I59-F78 HydrophobicContact CD1-CD1 4Å; I59-F78 HydrophobicContact CD1-CE1 3.57Å; I59-F78 HydrophobicContact CD1-CZ 4.43Å; I59-F78 HydrophobicContact CG1-CD1 3.67Å; I59-F78 HydrophobicContact CG1-CE1 3.81Å
79Q97.8Very high94.1Very high5 Ų554.9 Ų54.92%0.02330%0.295CS..PPolyproline II helixtrans-75145.7175.2-176.559.6-78.500111.7G57 Y58 F60 F83 W84 Q160G57-Q79 WeakPolarHBondContact O-CB 3.21Å; G57-Q79 WeakPolarHBondContact O-CG 3.45Å; Y58-Q79 WeakPolarHBondContact O-CB 3.47Å; Y58-Q79 PolarHBondContact O-N 2.84Å; F60-Q79 HydrophobicContact CD1-CB 4.29Å; F60-Q79 HydrophobicContact CE1-CB 4.19Å; Q79-F83 HydrophobicContact CG-CB 3.73Å; Q79-W84 PolarHBondContact O-NE1 3.44Å; Q79-Q160 PolarHBondContact NE2-O 3.24Å; Q79-Q160 VanDerWaalsContact OE1-CB 3.26Å
80A96.6Very high93.3Very high24 Ų2459.4 Ų59.420%0.19832%0.316CS..PPolyproline II helixtrans-65.9137.3173.300000110.3Y82 F83A80-Y82 PolarHBondContact O-N 3.33Å; A80-F83 HydrophobicContact CB-CD2 4.23Å; A80-F83 PolarHBondContact O-N 3.15Å
81P96.1Very high93Very high80 Ų8056 Ų5652%0.51930%0.303SS..G310 helixtrans-55-26.3179.4-28.735.5000115F83 W84 N87P81-F83 VanDerWaalsContact C-N 3.26Å; P81-F83 PolarHBondContact O-N 3.32Å; P81-W84 HydrophobicContact CB-CD2 4.12Å; P81-W84 HydrophobicContact CB-CE3 4.28Å; P81-W84 HydrophobicContact CB-CH2 4.45Å; P81-W84 HydrophobicContact CB-CZ2 4.29Å; P81-W84 HydrophobicContact CB-CZ3 4.45Å; P81-W84 HydrophobicContact CG-CH2 4.28Å; P81-W84 HydrophobicContact CG-CZ2 3.95Å; P81-W84 WeakPolarHBondContact O-CB 3.44Å; P81-W84 PolarHBondContact O-N 3.41Å; P81-N87 PolarHBondContact O-ND2 2.83Å
82Y95.2Very high92.7Very high145 Ų14556.9 Ų56.957%0.56931%0.306SS*.G310 helixtrans-54.8-41.2171.9176.3-105.3000112.4A80 N87 W89A80-Y82 PolarHBondContact O-N 3.33Å; Y82-N87 PolarHBondContact O-ND2 2.7Å; Y82-W89 HydrophobicContact CD1-CZ2 4.21Å; Y82-W89 HydrophobicContact CD2-CZ2 4.1Å; Y82-W89 AromaticContact CE1-CH2 3.99Å; Y82-W89 HydrophobicContact CE1-CH2 3.99Å; Y82-W89 AromaticContact CE1-CZ2 3.84Å; Y82-W89 HydrophobicContact CE1-CZ2 3.84Å; Y82-W89 AromaticContact CE2-CH2 3.8Å; Y82-W89 HydrophobicContact CE2-CH2 3.8Å; Y82-W89 AromaticContact CE2-CZ2 3.72Å; Y82-W89 HydrophobicContact CE2-CZ2 3.72Å; Y82-W89 HydrophobicContact CG-CZ2 4.34Å; Y82-W89 AromaticContact CZ-CH2 3.44Å; Y82-W89 VanDerWaalsContact CZ-CH2 3.44Å; Y82-W89 AromaticContact CZ-CZ2 3.59Å; Y82-W89 VanDerWaalsContact O-CE2 3.29Å; Y82-W89 VanDerWaalsContact O-CZ2 3.26Å; Y82-W89 WeakPolarHBondContact O-CZ2 3.41Å; Y82-W89 PolarHBondContact O-NE1 3.1Å; Y82-W89 WeakPolarHBondContact OH-CH2 3.32Å
83F96.5Very high92.6Very high38 Ų3855.8 Ų55.817%0.16730%0.3CS..G310 helixtrans-90.17.3-178-67.1-57.1000114Q79 A80 P81 Q160 E161 F164Q79-F83 HydrophobicContact CG-CB 3.73Å; A80-F83 HydrophobicContact CB-CD2 4.23Å; A80-F83 PolarHBondContact O-N 3.15Å; P81-F83 VanDerWaalsContact C-N 3.26Å; P81-F83 PolarHBondContact O-N 3.32Å; F83-Q160 HydrophobicContact CD2-CB 4.24Å; F83-Q160 HydrophobicContact CE2-CB 4.16Å; F83-E161 HydrophobicContact CZ-CB 4.43Å; F83-F164 HydrophobicContact CB-CB 4.26Å; F83-F164 HydrophobicContact CB-CD2 4.01Å; F83-F164 HydrophobicContact CD1-CB 3.82Å; F83-F164 HydrophobicContact CD1-CD1 4.42Å; F83-F164 AromaticContact CD1-CD2 3.53Å; F83-F164 HydrophobicContact CD1-CD2 3.53Å; F83-F164 HydrophobicContact CD1-CE2 4.17Å; F83-F164 AromaticContact CD1-CG 3.66Å; F83-F164 HydrophobicContact CD1-CG 3.66Å; F83-F164 HydrophobicContact CE1-CB 4.31Å; F83-F164 HydrophobicContact CE1-CD2 4.39Å; F83-F164 HydrophobicContact CE1-CG 4.17Å; F83-F164 HydrophobicContact CG-CB 4.05Å; F83-F164 HydrophobicContact CG-CD2 4.15Å; F83-F164 HydrophobicContact CG-CG 4.32Å
84W95.3Very high92.6Very high80 Ų8055.5 Ų55.530%0.30329%0.287SS..  trans-68.2142179.9-72.6-1.3000112.1Y58 Q79 P81 S86 N87Y58-W84 AromaticContact CD1-CD1 3.85Å; Y58-W84 AromaticContact CD1-CD2 3.99Å; Y58-W84 HydrophobicContact CD1-CD2 3.99Å; Y58-W84 AromaticContact CD1-CE2 3.9Å; Y58-W84 AromaticContact CD1-CG 3.96Å; Y58-W84 HydrophobicContact CD1-CG 3.96Å; Y58-W84 AromaticContact CD1-NE1 3.82Å; Y58-W84 HydrophobicContact CE1-CB 4.11Å; Y58-W84 AromaticContact CE1-CD2 3.75Å; Y58-W84 HydrophobicContact CE1-CD2 3.75Å; Y58-W84 HydrophobicContact CE1-CE3 4.16Å; Y58-W84 AromaticContact CE1-CG 3.73Å; Y58-W84 HydrophobicContact CE1-CG 3.73Å; Q79-W84 PolarHBondContact O-NE1 3.44Å; P81-W84 HydrophobicContact CB-CD2 4.12Å; P81-W84 HydrophobicContact CB-CE3 4.28Å; P81-W84 HydrophobicContact CB-CH2 4.45Å; P81-W84 HydrophobicContact CB-CZ2 4.29Å; P81-W84 HydrophobicContact CB-CZ3 4.45Å; P81-W84 HydrophobicContact CG-CH2 4.28Å; P81-W84 HydrophobicContact CG-CZ2 3.95Å; P81-W84 WeakPolarHBondContact O-CB 3.44Å; P81-W84 PolarHBondContact O-N 3.41Å; W84-S86 PolarHBondContact O-N 2.98Å; W84-S86 VanDerWaalsContact O-N 3.11Å; W84-N87 WeakPolarHBondContact O-CB 3.36Å; W84-N87 PolarHBondContact O-N 2.85Å
85P89.1Confident92.5Very high38 Ų3857.5 Ų57.525%0.24730%0.297CS..G310 helixtrans-59.2-25.5178.5-22.329.8000114.1Q56 N87 C88Q56-P85 WeakPolarHBondContact O-CD 3.24Å; Q56-P85 WeakPolarHBondContact O-CG 3.48Å; P85-N87 PolarHBondContact O-N 3.09Å; P85-N87 VanDerWaalsContact O-N 3.15Å; P85-C88 PolarHBondContact O-N 3.48Å
86S88.1Confident92.5Very high70 Ų7054.9 Ų54.949%0.4929%0.286SS..G310 helixtrans-60.5-21.1176.954.20000113.4W84 C88W84-S86 PolarHBondContact O-N 2.98Å; W84-S86 VanDerWaalsContact O-N 3.11Å; S86-C88 PolarHBondContact O-N 2.91Å
87N86.8Confident92.5Very high85 Ų8554.9 Ų54.946%0.45529%0.285SS..G310 helixtrans-74.53.3172.8-62.8-16.2000112.7P81 Y82 W84 P85 W89P81-N87 PolarHBondContact O-ND2 2.83Å; Y82-N87 PolarHBondContact O-ND2 2.7Å; W84-N87 WeakPolarHBondContact O-CB 3.36Å; W84-N87 PolarHBondContact O-N 2.85Å; P85-N87 PolarHBondContact O-N 3.09Å; P85-N87 VanDerWaalsContact O-N 3.15Å; N87-W89 VanDerWaalsContact C-N 3.33Å; N87-W89 PolarHBondContact O-N 3.15Å
88C78.3Confident92.5Very high95 Ų9554.4 Ų54.464%0.64228%0.284SS*.  trans57.143.7175.7-60.70000113P85 S86 E90P85-C88 PolarHBondContact O-N 3.48Å; S86-C88 PolarHBondContact O-N 2.91Å; C88-E90 PolarHBondContact O-N 3.39Å
89W82.4Confident92.5Very high81 Ų8153.5 Ų53.531%0.30728%0.28SS..  trans-58.8130.3177.3-73.4109.1000112.2Y82 N87 F164Y82-W89 HydrophobicContact CD1-CZ2 4.21Å; Y82-W89 HydrophobicContact CD2-CZ2 4.1Å; Y82-W89 AromaticContact CE1-CH2 3.99Å; Y82-W89 HydrophobicContact CE1-CH2 3.99Å; Y82-W89 AromaticContact CE1-CZ2 3.84Å; Y82-W89 HydrophobicContact CE1-CZ2 3.84Å; Y82-W89 AromaticContact CE2-CH2 3.8Å; Y82-W89 HydrophobicContact CE2-CH2 3.8Å; Y82-W89 AromaticContact CE2-CZ2 3.72Å; Y82-W89 HydrophobicContact CE2-CZ2 3.72Å; Y82-W89 HydrophobicContact CG-CZ2 4.34Å; Y82-W89 AromaticContact CZ-CH2 3.44Å; Y82-W89 VanDerWaalsContact CZ-CH2 3.44Å; Y82-W89 AromaticContact CZ-CZ2 3.59Å; Y82-W89 VanDerWaalsContact O-CE2 3.29Å; Y82-W89 VanDerWaalsContact O-CZ2 3.26Å; Y82-W89 WeakPolarHBondContact O-CZ2 3.41Å; Y82-W89 PolarHBondContact O-NE1 3.1Å; Y82-W89 WeakPolarHBondContact OH-CH2 3.32Å; N87-W89 VanDerWaalsContact C-N 3.33Å; N87-W89 PolarHBondContact O-N 3.15Å; W89-F164 HydrophobicContact CB-CE2 3.99Å; W89-F164 HydrophobicContact CB-CZ 4.3Å; W89-F164 AromaticContact CD1-CE2 3.89Å; W89-F164 AromaticContact CD2-CE2 3.95Å; W89-F164 HydrophobicContact CD2-CE2 3.95Å; W89-F164 HydrophobicContact CD2-CZ 4.25Å; W89-F164 HydrophobicContact CE3-CZ 4.37Å; W89-F164 AromaticContact CG-CE2 3.68Å; W89-F164 HydrophobicContact CG-CE2 3.68Å; W89-F164 HydrophobicContact CG-CZ 4.23Å
90E82.8Confident92.5Very high103 Ų10353.3 Ų53.348%0.48128%0.279SS..  trans-127.369170.7-66.2-171.2179.800109.2C88 E92 K193C88-E90 PolarHBondContact O-N 3.39Å; E90-E92 PolarHBondContact O-N 3.38Å; E90-K193 WeakPolarHBondContact OE1-CE 3.28Å; E90-K193 IonicContact OE1-NZ 2.85Å
91P89.8Confident92.6Very high18 Ų1852.4 Ų52.412%0.11727%0.271CS..  trans-69.1134-172.728.1-33.9000111.9F164 W165 H168 R169P91-F164 HydrophobicContact CB-CE1 4.12Å; P91-F164 HydrophobicContact CB-CZ 3.98Å; P91-F164 HydrophobicContact CG-CE1 4.18Å; P91-F164 HydrophobicContact CG-CZ 3.86Å; P91-W165 HydrophobicContact CB-CH2 3.64Å; P91-W165 HydrophobicContact CB-CZ3 3.82Å; P91-W165 HydrophobicContact CG-CH2 4.37Å; P91-W165 HydrophobicContact CG-CZ3 4.04Å; P91-H168 WeakPolarHBondContact CD-ND1 3.44Å; P91-H168 HydrophobicContact CG-CB 3.74Å; P91-R169 PolarHBondContact O-NH2 3.15Å; P91-R169 VanDerWaalsContact O-NH2 3.16Å
92E91.9Very high92.6Very high84 Ų8448.9 Ų48.939%0.39325%0.248SC..  trans-81.5164.5-176.1-64-176.5-176.400111.9E90 T94 D95 Y96E90-E92 PolarHBondContact O-N 3.38Å; E92-T94 PolarHBondContact O-N 3.09Å; E92-D95 PolarHBondContact N-OD2 2.96Å; E92-D95 PolarHBondContact O-N 3.33Å; E92-Y96 PolarHBondContact O-N 3.02Å
93N94Very high92.6Very high43 Ų4342.5 Ų42.523%0.2322%0.223CC..Hα-helixtrans-65.3-27.3174.5-75.1-21.2000112.4Y96 A97 L124 F128 R169N93-Y96 PolarHBondContact O-N 2.83Å; N93-A97 WeakPolarHBondContact O-CB 3.13Å; N93-A97 PolarHBondContact O-N 3.45Å; N93-L124 HydrophobicContact CB-CD2 3.82Å; N93-F128 HydrophobicContact CB-CE2 3.91Å; N93-F128 HydrophobicContact CB-CZ 3.78Å; N93-R169 PolarHBondContact OD1-NH2 3.33Å
94T95.8Very high92.5Very high45 Ų4543.7 Ų43.728%0.27623%0.233SC..Hα-helixtrans-64.5-44.8173.8-49.50000111E92 Y96 A97 I98 I135E92-T94 PolarHBondContact O-N 3.09Å; T94-Y96 VanDerWaalsContact C-N 3.32Å; T94-Y96 PolarHBondContact O-N 3.49Å; T94-A97 WeakPolarHBondContact O-CB 3.49Å; T94-A97 PolarHBondContact O-N 2.83Å; T94-I98 HydrophobicContact CG2-CD1 4.34Å; T94-I98 WeakPolarHBondContact O-CG1 3.01Å; T94-I98 PolarHBondContact O-N 3.49Å; T94-I135 HydrophobicContact CG2-CD1 4.47Å; T94-I135 HydrophobicContact CG2-CG1 4.28Å
95D96.1Very high92.4Very high74 Ų7441.9 Ų41.940%0.39623%0.229SC..Hα-helixtrans-61.6-41.8178-58.2-48.1000111.3E92 I98 Y99 W165E92-D95 PolarHBondContact N-OD2 2.96Å; E92-D95 PolarHBondContact O-N 3.33Å; D95-I98 PolarHBondContact O-N 3.41Å; D95-Y99 PolarHBondContact O-N 2.87Å; D95-W165 HydrophobicContact CB-CH2 3.8Å; D95-W165 HydrophobicContact CB-CZ2 3.92Å
96Y97.6Very high92.2Very high2 Ų241.1 Ų41.11%0.00822%0.222CC..Hα-helixtrans-66.8-38.5177.6-169.5-138000111.9E92 N93 T94 I98 Y99 L100 N120 L124 W165 R169E92-Y96 PolarHBondContact O-N 3.02Å; N93-Y96 PolarHBondContact O-N 2.83Å; T94-Y96 VanDerWaalsContact C-N 3.32Å; T94-Y96 PolarHBondContact O-N 3.49Å; Y96-I98 PolarHBondContact O-N 3.32Å; Y96-Y99 AromaticContact CD2-CD1 3.9Å; Y96-Y99 HydrophobicContact CD2-CD1 3.9Å; Y96-Y99 AromaticContact CE2-CD1 3.87Å; Y96-Y99 HydrophobicContact CE2-CD1 3.87Å; Y96-Y99 HydrophobicContact CE2-CE1 4.24Å; Y96-Y99 PolarHBondContact O-N 3.28Å; Y96-L100 HydrophobicContact CD1-CD1 4.05Å; Y96-L100 HydrophobicContact CD2-CD1 4.41Å; Y96-L100 HydrophobicContact CD2-CG 4.15Å; Y96-L100 HydrophobicContact CE1-CD1 3.66Å; Y96-L100 HydrophobicContact CE1-CG 4.36Å; Y96-L100 HydrophobicContact CE2-CD1 4.06Å; Y96-L100 HydrophobicContact CE2-CD2 3.89Å; Y96-L100 HydrophobicContact CE2-CG 3.85Å; Y96-L100 HydrophobicContact CG-CD1 4.4Å; Y96-L100 WeakPolarHBondContact O-CG 3.45Å; Y96-L100 PolarHBondContact O-N 3.03Å; Y96-N120 HydrophobicContact CE1-CB 3.93Å; Y96-L124 HydrophobicContact CD1-CD1 3.75Å; Y96-L124 HydrophobicContact CE1-CD1 4.37Å; Y96-L124 HydrophobicContact CG-CD1 4.46Å; Y96-W165 VanDerWaalsContact CA-CH2 3.46Å; Y96-W165 AromaticContact CD2-CD2 3.55Å; Y96-W165 HydrophobicContact CD2-CD2 3.55Å; Y96-W165 AromaticContact CD2-CE3 3.4Å; Y96-W165 HydrophobicContact CD2-CE3 3.4Å; Y96-W165 VanDerWaalsContact CD2-CE3 3.4Å; Y96-W165 HydrophobicContact CD2-CG 4.07Å; Y96-W165 HydrophobicContact CD2-CH2 4.21Å; Y96-W165 HydrophobicContact CD2-CZ2 4.35Å; Y96-W165 AromaticContact CD2-CZ3 3.77Å; Y96-W165 HydrophobicContact CD2-CZ3 3.77Å; Y96-W165 HydrophobicContact CE2-CB 4.25Å; Y96-W165 HydrophobicContact CE2-CD2 4.13Å; Y96-W165 HydrophobicContact CE2-CE3 4.08Å; Y96-W165 HydrophobicContact CE2-CG 4.22Å; Y96-W165 HydrophobicContact CG-CD2 4.49Å; Y96-W165 HydrophobicContact CG-CE3 4.01Å; Y96-W165 HydrophobicContact CG-CH2 4.3Å; Y96-W165 AromaticContact CG-CZ3 3.91Å; Y96-W165 HydrophobicContact CG-CZ3 3.91Å; Y96-W165 VanDerWaalsContact N-CH2 3.29Å; Y96-R169 HydrophobicContact CD1-CG 3.76Å; Y96-R169 HydrophobicContact CD2-CG 4Å; Y96-R169 HydrophobicContact CE1-CB 4Å; Y96-R169 HydrophobicContact CE1-CG 3.74Å; Y96-R169 HydrophobicContact CE2-CB 4.04Å; Y96-R169 HydrophobicContact CE2-CG 3.99Å; Y96-R169 HydrophobicContact CG-CG 3.91Å
97A97.8Very high92Very high0 Ų045 Ų450%024%0.237CC..Hα-helixtrans-62.6-41.6174.900000111.9N93 T94 C101 L124 F128 W132 I135N93-A97 WeakPolarHBondContact O-CB 3.13Å; N93-A97 PolarHBondContact O-N 3.45Å; T94-A97 WeakPolarHBondContact O-CB 3.49Å; T94-A97 PolarHBondContact O-N 2.83Å; A97-C101 WeakPolarHBondContact O-CB 3.42Å; A97-C101 PolarHBondContact O-N 3.36Å; A97-L124 HydrophobicContact CB-CB 4.15Å; A97-L124 HydrophobicContact CB-CD1 4.11Å; A97-F128 HydrophobicContact CB-CD2 4.35Å; A97-W132 HydrophobicContact CB-CZ3 4.31Å; A97-I135 HydrophobicContact CB-CD1 4.11Å; A97-I135 HydrophobicContact CB-CG2 4.09Å
98I97.8Very high91.9Very high8 Ų843.9 Ų43.94%0.04123%0.228CC..Hα-helixtrans-61.5-46.1174.6-64.3161.9000110.2T94 D95 Y96 C101 K102 I135 Q138 A139T94-I98 HydrophobicContact CG2-CD1 4.34Å; T94-I98 WeakPolarHBondContact O-CG1 3.01Å; T94-I98 PolarHBondContact O-N 3.49Å; D95-I98 PolarHBondContact O-N 3.41Å; Y96-I98 PolarHBondContact O-N 3.32Å; I98-C101 PolarHBondContact O-N 3.09Å; I98-K102 WeakPolarHBondContact O-CB 3.06Å; I98-K102 PolarHBondContact O-N 3.34Å; I98-I135 HydrophobicContact CG1-CG2 3.92Å; I98-Q138 HydrophobicContact CD1-CB 4.29Å; I98-Q138 HydrophobicContact CG1-CB 4.41Å; I98-Q138 HydrophobicContact CG2-CB 4.48Å; I98-A139 HydrophobicContact CG2-CB 4.2Å
99Y97.8Very high92.3Very high6 Ų642.9 Ų42.92%0.02423%0.227CC..Hα-helixtrans-59.3-50.6178.2167.5-104.4000112.7D95 Y96 K102 R103 E161 R162 W165D95-Y99 PolarHBondContact O-N 2.87Å; Y96-Y99 AromaticContact CD2-CD1 3.9Å; Y96-Y99 HydrophobicContact CD2-CD1 3.9Å; Y96-Y99 AromaticContact CE2-CD1 3.87Å; Y96-Y99 HydrophobicContact CE2-CD1 3.87Å; Y96-Y99 HydrophobicContact CE2-CE1 4.24Å; Y96-Y99 PolarHBondContact O-N 3.28Å; Y99-K102 WeakPolarHBondContact O-CB 3.46Å; Y99-K102 PolarHBondContact O-N 3.4Å; Y99-R103 HydrophobicContact CE2-CG 4.27Å; Y99-R103 PolarHBondContact O-N 3.28Å; Y99-R103 VanDerWaalsContact OH-CD 3.26Å; Y99-R103 WeakPolarHBondContact OH-CD 3.38Å; Y99-R103 PolarHBondContact OH-NH1 2.84Å; Y99-E161 HydrophobicContact CD2-CG 3.82Å; Y99-E161 HydrophobicContact CE2-CB 4.46Å; Y99-E161 HydrophobicContact CE2-CG 3.84Å; Y99-R162 VanDerWaalsContact OH-CA 3.27Å; Y99-R162 WeakPolarHBondContact OH-CA 3.46Å; Y99-R162 WeakPolarHBondContact OH-CB 3.29Å; Y99-W165 HydrophobicContact CD1-CB 4.41Å; Y99-W165 AromaticContact CD1-CD1 3.38Å; Y99-W165 HydrophobicContact CD1-CD2 4.35Å; Y99-W165 AromaticContact CD1-CG 3.8Å; Y99-W165 HydrophobicContact CD1-CG 3.8Å; Y99-W165 AromaticContact CD1-NE1 3.69Å; Y99-W165 AromaticContact CD2-CD1 3.45Å; Y99-W165 VanDerWaalsContact CD2-CD1 3.45Å; Y99-W165 AromaticContact CD2-NE1 3.51Å; Y99-W165 HydrophobicContact CE1-CB 4.07Å; Y99-W165 AromaticContact CE1-CD1 3.56Å; Y99-W165 AromaticContact CE1-CG 3.9Å; Y99-W165 HydrophobicContact CE1-CG 3.9Å; Y99-W165 AromaticContact CE2-CD1 3.61Å; Y99-W165 AromaticContact CG-CD1 3.31Å; Y99-W165 HydrophobicContact CG-CG 4.14Å; Y99-W165 AromaticContact CG-NE1 3.23Å; Y99-W165 AromaticContact CZ-CD1 3.66Å
100L97.8Very high92.4Very high0 Ų044.5 Ų44.50%023%0.233CC..Hα-helixtrans-64.6-43.7179.2-68179.3000111.3Y96 K102 R103 T104 L113 E117 N120 L121 L124Y96-L100 HydrophobicContact CD1-CD1 4.05Å; Y96-L100 HydrophobicContact CD2-CD1 4.41Å; Y96-L100 HydrophobicContact CD2-CG 4.15Å; Y96-L100 HydrophobicContact CE1-CD1 3.66Å; Y96-L100 HydrophobicContact CE1-CG 4.36Å; Y96-L100 HydrophobicContact CE2-CD1 4.06Å; Y96-L100 HydrophobicContact CE2-CD2 3.89Å; Y96-L100 HydrophobicContact CE2-CG 3.85Å; Y96-L100 HydrophobicContact CG-CD1 4.4Å; Y96-L100 WeakPolarHBondContact O-CG 3.45Å; Y96-L100 PolarHBondContact O-N 3.03Å; L100-K102 PolarHBondContact O-N 2.98Å; L100-R103 PolarHBondContact O-N 2.91Å; L100-T104 WeakPolarHBondContact O-CG2 3.2Å; L100-T104 PolarHBondContact O-N 2.99Å; L100-T104 VanDerWaalsContact O-N 3.15Å; L100-L113 HydrophobicContact CD2-CD2 3.82Å; L100-E117 HydrophobicContact CD2-CB 3.95Å; L100-E117 HydrophobicContact CD2-CG 4.41Å; L100-N120 HydrophobicContact CD1-CB 4.19Å; L100-L121 HydrophobicContact CB-CB 4.39Å; L100-L121 HydrophobicContact CB-CD1 3.86Å; L100-L121 HydrophobicContact CB-CG 4.5Å; L100-L121 HydrophobicContact CD1-CB 3.99Å; L100-L124 HydrophobicContact CD1-CD1 4.1Å
101C97.1Very high92.6Very high5 Ų540.2 Ų40.23%0.03421%0.213CC..Hα-helixtrans-58.2-49.1174.9-172.50000110.7A97 I98 R103 T104 M105 W132 A139A97-C101 WeakPolarHBondContact O-CB 3.42Å; A97-C101 PolarHBondContact O-N 3.36Å; I98-C101 PolarHBondContact O-N 3.09Å; C101-R103 VanDerWaalsContact C-N 3.28Å; C101-R103 PolarHBondContact O-N 3.22Å; C101-T104 PolarHBondContact O-N 2.63Å; C101-T104 VanDerWaalsContact O-N 3.16Å; C101-T104 PolarHBondContact O-OG1 3.05Å; C101-M105 WeakPolarHBondContact O-CG 3.37Å; C101-M105 PolarHBondContact O-N 2.71Å; C101-W132 HydrophobicContact CB-CH2 4.34Å; C101-W132 HydrophobicContact CB-CZ2 4.39Å; C101-A139 HydrophobicContact CB-CB 3.98Å
102K96.1Very high92.8Very high6 Ų646 Ų463%0.02624%0.239CC..Hα-helixtrans-54-43176.6178.9174.871.7-179.10111.9I98 Y99 L100 M105 Q106 A139 Q142 V143 D146 E161I98-K102 WeakPolarHBondContact O-CB 3.06Å; I98-K102 PolarHBondContact O-N 3.34Å; Y99-K102 WeakPolarHBondContact O-CB 3.46Å; Y99-K102 PolarHBondContact O-N 3.4Å; L100-K102 PolarHBondContact O-N 2.98Å; K102-M105 PolarHBondContact O-N 3.14Å; K102-Q106 WeakPolarHBondContact O-CG 3.24Å; K102-A139 HydrophobicContact CB-CB 4.14Å; K102-Q142 HydrophobicContact CD-CB 3.79Å; K102-Q142 VanDerWaalsContact NZ-OE1 3.07Å; K102-V143 HydrophobicContact CG-CG2 3.67Å; K102-D146 IonicContact NZ-OD2 2.88Å; K102-E161 WeakPolarHBondContact CE-OE2 3.3Å; K102-E161 IonicContact NZ-OE1 2.73Å; K102-E161 PolarHBondContact NZ-OE1 3.43Å; K102-E161 IonicContact NZ-OE2 3.27Å; K102-E161 PolarHBondContact NZ-OE2 3.15Å
103R95.4Very high92.9Very high11 Ų1143.7 Ų43.74%0.04223%0.229CC..Hα-helixtrans-62.8-44.6178.3-82.7-176.159.9-168.2-7.6113Y99 L100 C101 M105 Q106 L111 E112 L113 E117Y99-R103 HydrophobicContact CE2-CG 4.27Å; Y99-R103 PolarHBondContact O-N 3.28Å; Y99-R103 VanDerWaalsContact OH-CD 3.26Å; Y99-R103 WeakPolarHBondContact OH-CD 3.38Å; Y99-R103 PolarHBondContact OH-NH1 2.84Å; L100-R103 PolarHBondContact O-N 2.91Å; C101-R103 VanDerWaalsContact C-N 3.28Å; C101-R103 PolarHBondContact O-N 3.22Å; R103-M105 PolarHBondContact O-N 3Å; R103-Q106 PolarHBondContact O-N 2.89Å; R103-L111 PolarHBondContact NE-O 2.81Å; R103-L111 PolarHBondContact NH2-O 2.68Å; R103-E112 PolarHBondContact NH2-O 3.47Å; R103-L113 HydrophobicContact CB-CD2 3.89Å; R103-E117 IonicContact CZ-OE1 2.64Å; R103-E117 IonicContact CZ-OE2 3.76Å; R103-E117 VanDerWaalsContact CZ-OE2 3.27Å; R103-E117 IonicContact NH1-OE1 3.1Å; R103-E117 PolarHBondContact NH1-OE1 3.32Å; R103-E117 IonicContact NH1-OE2 2.66Å; R103-E117 PolarHBondContact NH1-OE2 3.28Å; R103-E117 IonicContact NH2-OE1 3.22Å; R103-E117 IonicContact NH2-OE2 2.68Å; R103-E117 PolarHBondContact NH2-OE2 3.12Å
104T94.6Very high93Very high63 Ų6343.1 Ų43.139%0.38723%0.23SC..Hα-helixtrans-61.4-30.3178.163.80000112.8L100 C101 Q106 N107 L113 L121L100-T104 WeakPolarHBondContact O-CG2 3.2Å; L100-T104 PolarHBondContact O-N 2.99Å; L100-T104 VanDerWaalsContact O-N 3.15Å; C101-T104 PolarHBondContact O-N 2.63Å; C101-T104 VanDerWaalsContact O-N 3.16Å; C101-T104 PolarHBondContact O-OG1 3.05Å; T104-Q106 VanDerWaalsContact C-N 3.3Å; T104-Q106 PolarHBondContact O-N 2.99Å; T104-N107 PolarHBondContact O-OD1 3.43Å; T104-L113 HydrophobicContact CG2-CD1 3.54Å; T104-L113 HydrophobicContact CG2-CG 3.96Å; T104-L121 HydrophobicContact CG2-CD2 3.79Å
105M93.1Very high93Very high43 Ų4348 Ų4821%0.21226%0.255CS..THydrogen-bonded Turntrans-76.4-12.5-178.6-62.3172.88300114.3C101 K102 R103 F136 A139 E140 V143C101-M105 WeakPolarHBondContact O-CG 3.37Å; C101-M105 PolarHBondContact O-N 2.71Å; K102-M105 PolarHBondContact O-N 3.14Å; R103-M105 PolarHBondContact O-N 3Å; M105-F136 HydrophobicContact CE-CD2 4.47Å; M105-F136 HydrophobicContact CE-CE1 4.11Å; M105-F136 HydrophobicContact CE-CE2 3.74Å; M105-F136 HydrophobicContact CE-CZ 3.53Å; M105-F136 HydrophobicContact CG-CE2 4.47Å; M105-F136 HydrophobicContact SD-CD2 4.43Å; M105-F136 HydrophobicContact SD-CE2 4.07Å; M105-F136 HydrophobicContact SD-CZ 4.45Å; M105-A139 HydrophobicContact SD-CB 4.04Å; M105-E140 HydrophobicContact CE-CB 3.75Å; M105-E140 HydrophobicContact CE-CG 3.72Å; M105-V143 HydrophobicContact CB-CG2 4.27Å
106Q86.2Confident93Very high22 Ų2245.8 Ų45.810%0.10324%0.241CC..THydrogen-bonded Turntrans-85.8-14.8-174.1-66.7-157.839.500114.3K102 R103 T104 K108 L111K102-Q106 WeakPolarHBondContact O-CG 3.24Å; R103-Q106 PolarHBondContact O-N 2.89Å; T104-Q106 VanDerWaalsContact C-N 3.3Å; T104-Q106 PolarHBondContact O-N 2.99Å; Q106-K108 VanDerWaalsContact C-N 3.33Å; Q106-K108 WeakPolarHBondContact O-CG 3.34Å; Q106-K108 PolarHBondContact O-N 3.09Å; Q106-L111 HydrophobicContact CB-CD1 3.69Å; Q106-L111 HydrophobicContact CG-CD1 4Å
107N82.6Confident93Very high152 Ų15245.8 Ų45.881%0.81324%0.241SC*.  trans46.350178.8-64.4-15000113.6T104T104-N107 PolarHBondContact O-OD1 3.43Å
108K85.8Confident93Very high60 Ų6048 Ų4826%0.26126%0.259SS..  trans-127.3129.4176.3-67.8172-163.7147.50109.2Q106 R110 L111 E112Q106-K108 VanDerWaalsContact C-N 3.33Å; Q106-K108 WeakPolarHBondContact O-CG 3.34Å; Q106-K108 PolarHBondContact O-N 3.09Å; K108-R110 VanDerWaalsContact C-N 3.26Å; K108-R110 HydrophobicContact CB-CG 4.33Å; K108-R110 PolarHBondContact O-N 3.31Å; K108-R110 VanDerWaalsContact O-N 3.13Å; K108-L111 HydrophobicContact CB-CB 4.43Å; K108-L111 HydrophobicContact CB-CD1 4.42Å; K108-L111 HydrophobicContact CB-CG 4.44Å; K108-L111 HydrophobicContact CD-CD1 4.1Å; K108-L111 WeakPolarHBondContact O-CA 3.5Å; K108-L111 PolarHBondContact O-N 2.66Å; K108-E112 PolarHBondContact O-N 3.46Å
109A85.5Confident92.9Very high75 Ų7554.2 Ų54.262%0.6229%0.288SS*.G310 helixtrans-48.6-44.2178.300000113.7L111 E112A109-L111 PolarHBondContact O-N 3.2Å; A109-E112 WeakPolarHBondContact CA-OE1 3.38Å; A109-E112 WeakPolarHBondContact O-CB 3.29Å; A109-E112 PolarHBondContact O-N 2.95Å; A109-E112 VanDerWaalsContact O-N 3.13Å
110R84.2Confident92.9Very high114 Ų11454.5 Ų54.543%0.4329%0.29SS..G310 helixtrans-63.9-10.2177.874.7175.217983-1.9115.8K108 D158K108-R110 VanDerWaalsContact C-N 3.26Å; K108-R110 HydrophobicContact CB-CG 4.33Å; K108-R110 PolarHBondContact O-N 3.31Å; K108-R110 VanDerWaalsContact O-N 3.13Å; R110-D158 IonicContact CZ-OD2 2.85Å; R110-D158 VanDerWaalsContact CZ-OD2 3.27Å; R110-D158 IonicContact NH1-OD2 2.71Å; R110-D158 PolarHBondContact NH1-OD2 2.8Å; R110-D158 IonicContact NH2-OD2 3.84Å; R110-D158 PolarHBondContact NH2-OD2 2.94Å
111L88.4Confident92.8Very high14 Ų1455.2 Ų55.27%0.07329%0.294CS..G310 helixtrans-117.31.1-179.3-67-179.7000111.8R103 Q106 K108 A109 D158R103-L111 PolarHBondContact NE-O 2.81Å; R103-L111 PolarHBondContact NH2-O 2.68Å; Q106-L111 HydrophobicContact CB-CD1 3.69Å; Q106-L111 HydrophobicContact CG-CD1 4Å; K108-L111 HydrophobicContact CB-CB 4.43Å; K108-L111 HydrophobicContact CB-CD1 4.42Å; K108-L111 HydrophobicContact CB-CG 4.44Å; K108-L111 HydrophobicContact CD-CD1 4.1Å; K108-L111 WeakPolarHBondContact O-CA 3.5Å; K108-L111 PolarHBondContact O-N 2.66Å; A109-L111 PolarHBondContact O-N 3.2Å; L111-D158 HydrophobicContact CD2-CB 4.27Å
112E92.6Very high92.8Very high138 Ų13856.9 Ų56.965%0.64531%0.308SS*.PPolyproline II helixtrans-54.5141.8173.7-76.3171.9-173.500109.7R103 K108 A109R103-E112 PolarHBondContact NH2-O 3.47Å; K108-E112 PolarHBondContact O-N 3.46Å; A109-E112 WeakPolarHBondContact CA-OE1 3.38Å; A109-E112 WeakPolarHBondContact O-CB 3.29Å; A109-E112 PolarHBondContact O-N 2.95Å; A109-E112 VanDerWaalsContact O-N 3.13Å
113L95.6Very high92.9Very high36 Ų3659 Ų5919%0.18832%0.316CS..PPolyproline II helixtrans-71.8135.8179.2-62.1-171.5000108.9L100 R103 T104 E117 A118 L121L100-L113 HydrophobicContact CD2-CD2 3.82Å; R103-L113 HydrophobicContact CB-CD2 3.89Å; T104-L113 HydrophobicContact CG2-CD1 3.54Å; T104-L113 HydrophobicContact CG2-CG 3.96Å; L113-E117 HydrophobicContact CB-CB 4.02Å; L113-E117 HydrophobicContact CD2-CB 4.28Å; L113-A118 HydrophobicContact CB-CB 4.36Å; L113-L121 HydrophobicContact CD1-CB 4.32Å; L113-L121 HydrophobicContact CD1-CD2 3.63Å
114A95.5Very high92.9Very high31 Ų3158.6 Ų58.626%0.25632%0.315SS..PPolyproline II helixtrans-66.7161.6164.100000110.3Y116 E117 A118A114-Y116 VanDerWaalsContact C-N 3.3Å; A114-Y116 HydrophobicContact CB-CD1 3.68Å; A114-Y116 HydrophobicContact CB-CE1 3.54Å; A114-Y116 PolarHBondContact O-N 2.91Å; A114-E117 HydrophobicContact CB-CG 4.23Å; A114-E117 PolarHBondContact N-OE2 2.6Å; A114-E117 WeakPolarHBondContact O-CA 3.5Å; A114-E117 WeakPolarHBondContact O-CB 3.39Å; A114-E117 PolarHBondContact O-N 3.4Å; A114-A118 PolarHBondContact O-N 2.84Å
115D96.3Very high93Very high149 Ų14959.5 Ų59.580%0.79731%0.314SS*.Hα-helixtrans-54.9-44.2-176.3-64.5-29.2000112.7E117 A118 E119D115-E117 VanDerWaalsContact C-N 3.3Å; D115-E117 PolarHBondContact O-N 3Å; D115-A118 PolarHBondContact O-N 3.37Å; D115-E119 PolarHBondContact O-N 2.88Å
116Y96Very high93.2Very high27 Ų2766 Ų6611%0.10634%0.337CS..Hα-helixtrans-66-31.7177.680-86.1000112.7H65 A114 N120 V171 P172H65-Y116 PolarHBondContact ND1-OH 3.02Å; A114-Y116 VanDerWaalsContact C-N 3.3Å; A114-Y116 HydrophobicContact CB-CD1 3.68Å; A114-Y116 HydrophobicContact CB-CE1 3.54Å; A114-Y116 PolarHBondContact O-N 2.91Å; Y116-N120 WeakPolarHBondContact O-CB 3.35Å; Y116-N120 VanDerWaalsContact O-CG 3.25Å; Y116-N120 PolarHBondContact O-N 3.45Å; Y116-N120 PolarHBondContact O-ND2 3.48Å; Y116-N120 VanDerWaalsContact O-ND2 3.09Å; Y116-V171 HydrophobicContact CE1-CG1 4.44Å; Y116-V171 HydrophobicContact CE1-CG2 3.99Å; Y116-P172 HydrophobicContact CD2-CG 4.47Å; Y116-P172 HydrophobicContact CG-CG 4.32Å
117E97.3Very high93.5Very high1 Ų167.3 Ų67.31%0.00535%0.351CS..Hα-helixtrans-72.7-38.8175.9-62.2-173.3117.100110.9H65 L100 R103 L113 A114 D115 N120 L121H65-E117 IonicContact CE1-OE1 2.67Å; H65-E117 IonicContact CE1-OE2 2.8Å; H65-E117 IonicContact NE2-OE2 2.72Å; L100-E117 HydrophobicContact CD2-CB 3.95Å; L100-E117 HydrophobicContact CD2-CG 4.41Å; R103-E117 IonicContact CZ-OE1 2.64Å; R103-E117 IonicContact CZ-OE2 3.76Å; R103-E117 VanDerWaalsContact CZ-OE2 3.27Å; R103-E117 IonicContact NH1-OE1 3.1Å; R103-E117 PolarHBondContact NH1-OE1 3.32Å; R103-E117 IonicContact NH1-OE2 2.66Å; R103-E117 PolarHBondContact NH1-OE2 3.28Å; R103-E117 IonicContact NH2-OE1 3.22Å; R103-E117 IonicContact NH2-OE2 2.68Å; R103-E117 PolarHBondContact NH2-OE2 3.12Å; L113-E117 HydrophobicContact CB-CB 4.02Å; L113-E117 HydrophobicContact CD2-CB 4.28Å; A114-E117 HydrophobicContact CB-CG 4.23Å; A114-E117 PolarHBondContact N-OE2 2.6Å; A114-E117 WeakPolarHBondContact O-CA 3.5Å; A114-E117 WeakPolarHBondContact O-CB 3.39Å; A114-E117 PolarHBondContact O-N 3.4Å; D115-E117 VanDerWaalsContact C-N 3.3Å; D115-E117 PolarHBondContact O-N 3Å; E117-N120 WeakPolarHBondContact O-CB 3.29Å; E117-N120 PolarHBondContact O-N 3.08Å; E117-L121 WeakPolarHBondContact O-CB 3.13Å; E117-L121 PolarHBondContact O-N 3.27Å
118A97Very high94.1Very high46 Ų4661.8 Ų61.838%0.3832%0.319SS..Hα-helixtrans-64.9-41.8174.400000111.6L113 A114 D115 L121 A122L113-A118 HydrophobicContact CB-CB 4.36Å; A114-A118 PolarHBondContact O-N 2.84Å; D115-A118 PolarHBondContact O-N 3.37Å; A118-L121 PolarHBondContact O-N 3.23Å; A118-A122 PolarHBondContact O-N 3.01Å
119E96.8Very high94.6Very high140 Ų14062.2 Ų62.265%0.65433%0.334SS*.Hα-helixtrans-61.9-44.9173.1-172.4-176.417100111.5D115 L121 A122 R123D115-E119 PolarHBondContact O-N 2.88Å; E119-L121 PolarHBondContact O-N 3.47Å; E119-A122 PolarHBondContact O-N 3.5Å; E119-R123 PolarHBondContact O-N 3.24Å
120N96.2Very high95Very high11 Ų1170.4 Ų70.46%0.05935%0.349CS..Hα-helixtrans-59.3-45.2174.6-82.5-38.2000111.9Y96 L100 Y116 E117 A122 R123 L124Y96-N120 HydrophobicContact CE1-CB 3.93Å; L100-N120 HydrophobicContact CD1-CB 4.19Å; Y116-N120 WeakPolarHBondContact O-CB 3.35Å; Y116-N120 VanDerWaalsContact O-CG 3.25Å; Y116-N120 PolarHBondContact O-N 3.45Å; Y116-N120 PolarHBondContact O-ND2 3.48Å; Y116-N120 VanDerWaalsContact O-ND2 3.09Å; E117-N120 WeakPolarHBondContact O-CB 3.29Å; E117-N120 PolarHBondContact O-N 3.08Å; N120-A122 PolarHBondContact O-N 3.46Å; N120-R123 PolarHBondContact O-N 3.21Å; N120-R123 PolarHBondContact OD1-NH2 3.23Å; N120-L124 WeakPolarHBondContact O-CD1 3.44Å; N120-L124 WeakPolarHBondContact O-CG 3.43Å; N120-L124 PolarHBondContact O-N 3.41Å
121L97.3Very high95.5Very high15 Ų1571.7 Ų71.78%0.07936%0.358CS..Hα-helixtrans-59.2-47.3176.4-178.758.4000111.1L100 T104 L113 E117 A118 E119 R123 L124 Q125 W132L100-L121 HydrophobicContact CB-CB 4.39Å; L100-L121 HydrophobicContact CB-CD1 3.86Å; L100-L121 HydrophobicContact CB-CG 4.5Å; L100-L121 HydrophobicContact CD1-CB 3.99Å; T104-L121 HydrophobicContact CG2-CD2 3.79Å; L113-L121 HydrophobicContact CD1-CB 4.32Å; L113-L121 HydrophobicContact CD1-CD2 3.63Å; E117-L121 WeakPolarHBondContact O-CB 3.13Å; E117-L121 PolarHBondContact O-N 3.27Å; A118-L121 PolarHBondContact O-N 3.23Å; E119-L121 PolarHBondContact O-N 3.47Å; L121-R123 VanDerWaalsContact C-N 3.29Å; L121-R123 PolarHBondContact O-N 2.87Å; L121-L124 PolarHBondContact O-N 2.92Å; L121-L124 VanDerWaalsContact O-N 3.17Å; L121-Q125 HydrophobicContact CD1-CG 4.36Å; L121-Q125 WeakPolarHBondContact O-CB 3.43Å; L121-Q125 WeakPolarHBondContact O-CG 3.47Å; L121-Q125 PolarHBondContact O-N 2.9Å; L121-W132 HydrophobicContact CD1-CH2 3.58Å; L121-W132 HydrophobicContact CD1-CZ2 4.35Å; L121-W132 HydrophobicContact CD1-CZ3 4.45Å
122A97.4Very high95.9Very high40 Ų4073.4 Ų73.433%0.33136%0.363SS..Hα-helixtrans-61.3-37.2178.400000112.3A118 E119 N120 R126A118-A122 PolarHBondContact O-N 3.01Å; E119-A122 PolarHBondContact O-N 3.5Å; N120-A122 PolarHBondContact O-N 3.46Å; A122-R126 PolarHBondContact O-N 3.19Å; A122-R126 PolarHBondContact O-NE 2.76Å
123R96.5Very high96.1Very high51 Ų5174.4 Ų74.419%0.19237%0.368CS..Hα-helixtrans-66.3-43.9173.7-178.3179.161.4170.2-1.5112E119 N120 L121 R126 A127 Y199E119-R123 PolarHBondContact O-N 3.24Å; N120-R123 PolarHBondContact O-N 3.21Å; N120-R123 PolarHBondContact OD1-NH2 3.23Å; L121-R123 VanDerWaalsContact C-N 3.29Å; L121-R123 PolarHBondContact O-N 2.87Å; R123-R126 PolarHBondContact O-N 2.83Å; R123-A127 PolarHBondContact O-N 2.71Å; R123-Y199 PolarHBondContact NH1-O 3.49Å
124L96.6Very high96.1Very high3 Ų379.2 Ų79.22%0.01639%0.388CS..Hα-helixtrans-68.2-37.7179.5-67.2163.9000111.9N93 Y96 A97 L100 N120 L121 R126 A127 F128N93-L124 HydrophobicContact CB-CD2 3.82Å; Y96-L124 HydrophobicContact CD1-CD1 3.75Å; Y96-L124 HydrophobicContact CE1-CD1 4.37Å; Y96-L124 HydrophobicContact CG-CD1 4.46Å; A97-L124 HydrophobicContact CB-CB 4.15Å; A97-L124 HydrophobicContact CB-CD1 4.11Å; L100-L124 HydrophobicContact CD1-CD1 4.1Å; N120-L124 WeakPolarHBondContact O-CD1 3.44Å; N120-L124 WeakPolarHBondContact O-CG 3.43Å; N120-L124 PolarHBondContact O-N 3.41Å; L121-L124 PolarHBondContact O-N 2.92Å; L121-L124 VanDerWaalsContact O-N 3.17Å; L124-R126 VanDerWaalsContact C-N 3.31Å; L124-R126 PolarHBondContact O-N 2.78Å; L124-A127 PolarHBondContact O-N 3.32Å; L124-F128 HydrophobicContact CB-CD2 4.28Å; L124-F128 HydrophobicContact CD2-CD2 4.25Å; L124-F128 HydrophobicContact CD2-CE2 3.69Å; L124-F128 WeakPolarHBondContact O-CB 3.31Å; L124-F128 WeakPolarHBondContact O-CD2 3.49Å; L124-F128 PolarHBondContact O-N 3.4Å
125Q96.4Very high96.2Very high82 Ų8277.9 Ų77.938%0.38338%0.376SS..Hα-helixtrans-58.6-42.8172.4-78.8176.2-22.100111.9L121 A129 W132L121-Q125 HydrophobicContact CD1-CG 4.36Å; L121-Q125 WeakPolarHBondContact O-CB 3.43Å; L121-Q125 WeakPolarHBondContact O-CG 3.47Å; L121-Q125 PolarHBondContact O-N 2.9Å; Q125-A129 VanDerWaalsContact O-CA 3.3Å; Q125-A129 WeakPolarHBondContact O-CA 3.39Å; Q125-A129 PolarHBondContact O-N 3.42Å; Q125-W132 HydrophobicContact CB-CE3 4.36Å; Q125-W132 HydrophobicContact CB-CZ3 4.29Å; Q125-W132 HydrophobicContact CG-CD2 3.98Å; Q125-W132 HydrophobicContact CG-CE3 3.77Å; Q125-W132 HydrophobicContact CG-CH2 3.34Å; Q125-W132 HydrophobicContact CG-CZ2 3.52Å; Q125-W132 HydrophobicContact CG-CZ3 3.45Å; Q125-W132 VanDerWaalsContact CG-CZ3 3.45Å; Q125-W132 VanDerWaalsContact NE2-CZ2 3.33Å
126R96.1Very high96.3Very high180 Ų18075.3 Ų75.368%0.67936%0.358SS*.Hα-helixtrans-64.9-46.3173.9-75.6-178.3-79.4121.4-9.9111.8A122 R123 L124 F128A122-R126 PolarHBondContact O-N 3.19Å; A122-R126 PolarHBondContact O-NE 2.76Å; R123-R126 PolarHBondContact O-N 2.83Å; L124-R126 VanDerWaalsContact C-N 3.31Å; L124-R126 PolarHBondContact O-N 2.78Å; R126-F128 PolarHBondContact O-N 3.24Å
127A93.8Very high96.3Very high48 Ų4879.8 Ų79.840%0.39738%0.381SS..Hα-helixtrans-65.7-36.8-178.900000113R123 L124 V201R123-A127 PolarHBondContact O-N 2.71Å; L124-A127 PolarHBondContact O-N 3.32Å; A127-V201 HydrophobicContact CB-CG1 4.22Å
128F95.8Very high96.3Very high36 Ų3684.6 Ų84.616%0.15840%0.404CS..THydrogen-bonded Turntrans-10923.5-175.5-58.5-52.9000113.8N93 A97 L124 R126 R130 K131 W132 I135N93-F128 HydrophobicContact CB-CE2 3.91Å; N93-F128 HydrophobicContact CB-CZ 3.78Å; A97-F128 HydrophobicContact CB-CD2 4.35Å; L124-F128 HydrophobicContact CB-CD2 4.28Å; L124-F128 HydrophobicContact CD2-CD2 4.25Å; L124-F128 HydrophobicContact CD2-CE2 3.69Å; L124-F128 WeakPolarHBondContact O-CB 3.31Å; L124-F128 WeakPolarHBondContact O-CD2 3.49Å; L124-F128 PolarHBondContact O-N 3.4Å; R126-F128 PolarHBondContact O-N 3.24Å; F128-R130 PolarHBondContact O-N 3.24Å; F128-K131 CarbonylContact O-C 3.59Å; F128-K131 PolarHBondContact O-N 3.26Å; F128-W132 PolarHBondContact O-N 2.9Å; F128-I135 HydrophobicContact CB-CD1 3.71Å; F128-I135 HydrophobicContact CD2-CD1 4Å; F128-I135 HydrophobicContact CG-CD1 4.04Å
129A95.7Very high96.3Very high69 Ų6982.4 Ų82.457%0.5739%0.386SS*.G310 helixtrans-49.6-40.8-174.100000113.6Q125 K131Q125-A129 VanDerWaalsContact O-CA 3.3Å; Q125-A129 WeakPolarHBondContact O-CA 3.39Å; Q125-A129 PolarHBondContact O-N 3.42Å; A129-K131 PolarHBondContact O-N 3.28Å
130R94.6Very high96.3Very high248 Ų24879.1 Ų79.194%0.93637%0.371SS*.G310 helixtrans-73.6-22.1179.3-66.3-177.8176.3173.3-0.7114.7F128F128-R130 PolarHBondContact O-N 3.24Å
131K94.3Very high96.4Very high140 Ų14080.9 Ų80.961%0.60939%0.386SS*.G310 helixtrans-108.13.5-179.4-64.8-178-179.7177.30112.2F128 A129 E133 F134 I135F128-K131 CarbonylContact O-C 3.59Å; F128-K131 PolarHBondContact O-N 3.26Å; A129-K131 PolarHBondContact O-N 3.28Å; K131-E133 VanDerWaalsContact C-N 3.3Å; K131-E133 PolarHBondContact O-N 3.36Å; K131-F134 WeakPolarHBondContact O-CB 3.18Å; K131-F134 PolarHBondContact O-N 3.12Å; K131-F134 VanDerWaalsContact O-N 3.08Å; K131-I135 PolarHBondContact O-N 3.49Å
132W96.5Very high96.3Very high51 Ų5183.3 Ų83.319%0.19340%0.397CS..Hα-helixtrans-61.3-37-170.9-171.1-103.2000112.9A97 C101 L121 Q125 F128 F134 I135 F136A97-W132 HydrophobicContact CB-CZ3 4.31Å; C101-W132 HydrophobicContact CB-CH2 4.34Å; C101-W132 HydrophobicContact CB-CZ2 4.39Å; L121-W132 HydrophobicContact CD1-CH2 3.58Å; L121-W132 HydrophobicContact CD1-CZ2 4.35Å; L121-W132 HydrophobicContact CD1-CZ3 4.45Å; Q125-W132 HydrophobicContact CB-CE3 4.36Å; Q125-W132 HydrophobicContact CB-CZ3 4.29Å; Q125-W132 HydrophobicContact CG-CD2 3.98Å; Q125-W132 HydrophobicContact CG-CE3 3.77Å; Q125-W132 HydrophobicContact CG-CH2 3.34Å; Q125-W132 HydrophobicContact CG-CZ2 3.52Å; Q125-W132 HydrophobicContact CG-CZ3 3.45Å; Q125-W132 VanDerWaalsContact CG-CZ3 3.45Å; Q125-W132 VanDerWaalsContact NE2-CZ2 3.33Å; F128-W132 PolarHBondContact O-N 2.9Å; W132-F134 VanDerWaalsContact C-N 3.29Å; W132-F134 PolarHBondContact O-N 3.01Å; W132-I135 HydrophobicContact CE3-CB 4.48Å; W132-I135 HydrophobicContact CE3-CD1 4.07Å; W132-I135 HydrophobicContact CE3-CG2 4.37Å; W132-I135 HydrophobicContact CH2-CG2 4.32Å; W132-I135 HydrophobicContact CZ3-CD1 4.3Å; W132-I135 HydrophobicContact CZ3-CG2 4.09Å; W132-I135 WeakPolarHBondContact O-CB 3.25Å; W132-I135 PolarHBondContact O-N 2.65Å; W132-F136 WeakPolarHBondContact O-CB 3.48Å; W132-F136 PolarHBondContact O-N 3Å
133E96.6Very high96.2Very high159 Ų15981.7 Ų81.774%0.74338%0.383SS*.Hα-helixtrans-59.6-38.9176.2-66.5-172.4164.600112.4K131 F136 M137K131-E133 VanDerWaalsContact C-N 3.3Å; K131-E133 PolarHBondContact O-N 3.36Å; E133-F136 PolarHBondContact O-N 3.02Å; E133-M137 WeakPolarHBondContact O-CB 3.47Å; E133-M137 PolarHBondContact O-N 3.25Å
134F96.5Very high96.1Very high136 Ų13684.5 Ų84.560%0.59640%0.397SS*.Hα-helixtrans-68.3-41.4176.1-63.1-73.9000111.8K131 W132 F136 M137 Q138K131-F134 WeakPolarHBondContact O-CB 3.18Å; K131-F134 PolarHBondContact O-N 3.12Å; K131-F134 VanDerWaalsContact O-N 3.08Å; W132-F134 VanDerWaalsContact C-N 3.29Å; W132-F134 PolarHBondContact O-N 3.01Å; F134-F136 VanDerWaalsContact C-N 3.33Å; F134-M137 PolarHBondContact O-N 3.37Å; F134-Q138 WeakPolarHBondContact O-CG 3.43Å; F134-Q138 PolarHBondContact O-N 3.41Å
135I96.9Very high96Very high3 Ų389 Ų892%0.01542%0.42CS..Hα-helixtrans-59.9-46.5175-67.9172000110T94 A97 I98 F128 K131 W132 Q138 A139T94-I135 HydrophobicContact CG2-CD1 4.47Å; T94-I135 HydrophobicContact CG2-CG1 4.28Å; A97-I135 HydrophobicContact CB-CD1 4.11Å; A97-I135 HydrophobicContact CB-CG2 4.09Å; I98-I135 HydrophobicContact CG1-CG2 3.92Å; F128-I135 HydrophobicContact CB-CD1 3.71Å; F128-I135 HydrophobicContact CD2-CD1 4Å; F128-I135 HydrophobicContact CG-CD1 4.04Å; K131-I135 PolarHBondContact O-N 3.49Å; W132-I135 HydrophobicContact CE3-CB 4.48Å; W132-I135 HydrophobicContact CE3-CD1 4.07Å; W132-I135 HydrophobicContact CE3-CG2 4.37Å; W132-I135 HydrophobicContact CH2-CG2 4.32Å; W132-I135 HydrophobicContact CZ3-CD1 4.3Å; W132-I135 HydrophobicContact CZ3-CG2 4.09Å; W132-I135 WeakPolarHBondContact O-CB 3.25Å; W132-I135 PolarHBondContact O-N 2.65Å; I135-Q138 PolarHBondContact O-N 3.13Å; I135-A139 WeakPolarHBondContact O-CB 3.44Å; I135-A139 PolarHBondContact O-N 3.17Å
136F97.6Very high95.7Very high95 Ų9586.3 Ų86.342%0.41741%0.408SS..Hα-helixtrans-62.2-45.4177.9-175.6-90.7000111.9M105 W132 E133 F134 Q138 A139 E140M105-F136 HydrophobicContact CE-CD2 4.47Å; M105-F136 HydrophobicContact CE-CE1 4.11Å; M105-F136 HydrophobicContact CE-CE2 3.74Å; M105-F136 HydrophobicContact CE-CZ 3.53Å; M105-F136 HydrophobicContact CG-CE2 4.47Å; M105-F136 HydrophobicContact SD-CD2 4.43Å; M105-F136 HydrophobicContact SD-CE2 4.07Å; M105-F136 HydrophobicContact SD-CZ 4.45Å; W132-F136 WeakPolarHBondContact O-CB 3.48Å; W132-F136 PolarHBondContact O-N 3Å; E133-F136 PolarHBondContact O-N 3.02Å; F134-F136 VanDerWaalsContact C-N 3.33Å; F136-Q138 VanDerWaalsContact C-N 3.35Å; F136-Q138 PolarHBondContact O-N 2.85Å; F136-A139 PolarHBondContact O-N 3.07Å; F136-E140 WeakPolarHBondContact O-CB 3.49Å; F136-E140 PolarHBondContact O-N 3.39Å
137M96.9Very high95.5Very high121 Ų12185.6 Ų85.660%0.59641%0.405SS*.Hα-helixtrans-61.6-41.8178-171-176.5-61.700112E133 F134 E140 A141E133-M137 WeakPolarHBondContact O-CB 3.47Å; E133-M137 PolarHBondContact O-N 3.25Å; F134-M137 PolarHBondContact O-N 3.37Å; M137-E140 PolarHBondContact O-N 2.93Å; M137-A141 WeakPolarHBondContact O-CB 3.42Å; M137-A141 PolarHBondContact O-N 3.49Å
138Q97.6Very high95.5Very high102 Ų10291.8 Ų91.848%0.47742%0.423SS..Hα-helixtrans-65.4-43.9175.4-76.1-174.7-31.700112.1I98 F134 I135 F136 E140 A141 Q142I98-Q138 HydrophobicContact CD1-CB 4.29Å; I98-Q138 HydrophobicContact CG1-CB 4.41Å; I98-Q138 HydrophobicContact CG2-CB 4.48Å; F134-Q138 WeakPolarHBondContact O-CG 3.43Å; F134-Q138 PolarHBondContact O-N 3.41Å; I135-Q138 PolarHBondContact O-N 3.13Å; F136-Q138 VanDerWaalsContact C-N 3.35Å; F136-Q138 PolarHBondContact O-N 2.85Å; Q138-E140 PolarHBondContact O-N 3.23Å; Q138-A141 PolarHBondContact O-N 3.32Å; Q138-Q142 WeakPolarHBondContact O-CG 3.46Å; Q138-Q142 PolarHBondContact O-N 2.94Å
139A97.1Very high95.4Very high0 Ų093.2 Ų93.20%043%0.43CS..Hα-helixtrans-59.9-45.3175.200000111.3I98 C101 K102 M105 I135 F136 A141 Q142 V143I98-A139 HydrophobicContact CG2-CB 4.2Å; C101-A139 HydrophobicContact CB-CB 3.98Å; K102-A139 HydrophobicContact CB-CB 4.14Å; M105-A139 HydrophobicContact SD-CB 4.04Å; I135-A139 WeakPolarHBondContact O-CB 3.44Å; I135-A139 PolarHBondContact O-N 3.17Å; F136-A139 PolarHBondContact O-N 3.07Å; A139-A141 PolarHBondContact O-N 2.91Å; A139-Q142 PolarHBondContact O-N 3.38Å; A139-V143 WeakPolarHBondContact O-CG2 3.25Å; A139-V143 PolarHBondContact O-N 2.9Å
140E97Very high95.3Very high72 Ų7294.1 Ų94.134%0.33643%0.425SS..Hα-helixtrans-61.3-42.9177.8-160-156.9-168.100112.1M105 F136 M137 Q138 Q142 V143 K144M105-E140 HydrophobicContact CE-CB 3.75Å; M105-E140 HydrophobicContact CE-CG 3.72Å; F136-E140 WeakPolarHBondContact O-CB 3.49Å; F136-E140 PolarHBondContact O-N 3.39Å; M137-E140 PolarHBondContact O-N 2.93Å; Q138-E140 PolarHBondContact O-N 3.23Å; E140-Q142 VanDerWaalsContact C-N 3.34Å; E140-Q142 PolarHBondContact O-N 2.83Å; E140-V143 PolarHBondContact O-N 3.27Å; E140-K144 WeakPolarHBondContact O-CG 3.25Å; E140-K144 PolarHBondContact O-N 3.37Å; E140-K144 WeakPolarHBondContact OE1-CE 3.36Å; E140-K144 IonicContact OE1-NZ 2.84Å; E140-K144 PolarHBondContact OE1-NZ 3.23Å; E140-K144 VanDerWaalsContact OE1-NZ 3.1Å; E140-K144 IonicContact OE2-NZ 3.94Å; E140-K144 PolarHBondContact OE2-NZ 3Å
141A97.1Very high95Very high47 Ų4789.1 Ų89.139%0.38841%0.41SS..Hα-helixtrans-60.8-42.4176.300000111.7M137 Q138 A139 K144 I145M137-A141 WeakPolarHBondContact O-CB 3.42Å; M137-A141 PolarHBondContact O-N 3.49Å; Q138-A141 PolarHBondContact O-N 3.32Å; A139-A141 PolarHBondContact O-N 2.91Å; A141-K144 WeakPolarHBondContact O-CB 3.47Å; A141-K144 PolarHBondContact O-N 3.04Å; A141-I145 WeakPolarHBondContact O-CG1 3.49Å; A141-I145 PolarHBondContact O-N 3.47Å; A141-I145 VanDerWaalsContact O-N 3.15Å
142Q95.3Very high94.8Very high66 Ų6685.7 Ų85.731%0.30840%0.401SS..Hα-helixtrans-64-43.9174.1-69.6-174.91800111.9K102 Q138 A139 E140 K144 I145 D146K102-Q142 HydrophobicContact CD-CB 3.79Å; K102-Q142 VanDerWaalsContact NZ-OE1 3.07Å; Q138-Q142 WeakPolarHBondContact O-CG 3.46Å; Q138-Q142 PolarHBondContact O-N 2.94Å; A139-Q142 PolarHBondContact O-N 3.38Å; E140-Q142 VanDerWaalsContact C-N 3.34Å; E140-Q142 PolarHBondContact O-N 2.83Å; Q142-K144 VanDerWaalsContact C-N 3.26Å; Q142-K144 PolarHBondContact O-N 3.48Å; Q142-I145 WeakPolarHBondContact O-CB 3.48Å; Q142-I145 PolarHBondContact O-N 3.41Å; Q142-D146 VanDerWaalsContact O-CG 3.31Å; Q142-D146 PolarHBondContact O-N 3.43Å
143V94.7Very high94.5Very high7 Ų786.8 Ų86.84%0.04241%0.408CS..Hα-helixtrans-57.1-41.2174.9174.60000111.3K102 M105 A139 E140 I145 D146 R147K102-V143 HydrophobicContact CG-CG2 3.67Å; M105-V143 HydrophobicContact CB-CG2 4.27Å; A139-V143 WeakPolarHBondContact O-CG2 3.25Å; A139-V143 PolarHBondContact O-N 2.9Å; E140-V143 PolarHBondContact O-N 3.27Å; V143-I145 VanDerWaalsContact C-N 3.31Å; V143-I145 PolarHBondContact O-N 3.37Å; V143-D146 PolarHBondContact O-N 3.32Å; V143-R147 HydrophobicContact CG1-CG 4.33Å; V143-R147 WeakPolarHBondContact O-CB 3.31Å; V143-R147 VanDerWaalsContact O-CG 3.29Å; V143-R147 WeakPolarHBondContact O-CG 3.48Å; V143-R147 PolarHBondContact O-N 3.18Å
144K95.1Very high94.3Very high109 Ų10981.4 Ų81.447%0.47438%0.381SS..Hα-helixtrans-62.5-38.1177.6-74.2167.4179.3162.70111.7E140 A141 Q142E140-K144 WeakPolarHBondContact O-CG 3.25Å; E140-K144 PolarHBondContact O-N 3.37Å; E140-K144 WeakPolarHBondContact OE1-CE 3.36Å; E140-K144 IonicContact OE1-NZ 2.84Å; E140-K144 PolarHBondContact OE1-NZ 3.23Å; E140-K144 VanDerWaalsContact OE1-NZ 3.1Å; E140-K144 IonicContact OE2-NZ 3.94Å; E140-K144 PolarHBondContact OE2-NZ 3Å; A141-K144 WeakPolarHBondContact O-CB 3.47Å; A141-K144 PolarHBondContact O-N 3.04Å; Q142-K144 VanDerWaalsContact C-N 3.26Å; Q142-K144 PolarHBondContact O-N 3.48Å
145I93.6Very high94Very high98 Ų9878.1 Ų78.150%0.50337%0.366SS..Hα-helixtrans-68.4-48174.6-65.5166.5000110.3A141 Q142 V143 R147 K148A141-I145 WeakPolarHBondContact O-CG1 3.49Å; A141-I145 PolarHBondContact O-N 3.47Å; A141-I145 VanDerWaalsContact O-N 3.15Å; Q142-I145 WeakPolarHBondContact O-CB 3.48Å; Q142-I145 PolarHBondContact O-N 3.41Å; V143-I145 VanDerWaalsContact C-N 3.31Å; V143-I145 PolarHBondContact O-N 3.37Å; I145-R147 PolarHBondContact O-N 2.96Å; I145-K148 WeakPolarHBondContact O-CB 3.46Å; I145-K148 PolarHBondContact O-N 2.86Å
146D91.6Very high93.8Very high25 Ų2579.6 Ų79.613%0.13437%0.374CS..Hα-helixtrans-62.2-32-178.4-66.8-21.9000112.3K102 Q142 V143 K148 K149 R154K102-D146 IonicContact NZ-OD2 2.88Å; Q142-D146 VanDerWaalsContact O-CG 3.31Å; Q142-D146 PolarHBondContact O-N 3.43Å; V143-D146 PolarHBondContact O-N 3.32Å; D146-K148 PolarHBondContact O-N 3.11Å; D146-K149 PolarHBondContact O-N 3.02Å; D146-R154 WeakPolarHBondContact O-CD 3.32Å
147R91Very high93.7Very high165 Ų16577.8 Ų77.862%0.62337%0.368SS*.THydrogen-bonded Turntrans-66.2-21.1175.4-77177-177.5-169.33113.9V143 I145 K149V143-R147 HydrophobicContact CG1-CG 4.33Å; V143-R147 WeakPolarHBondContact O-CB 3.31Å; V143-R147 VanDerWaalsContact O-CG 3.29Å; V143-R147 WeakPolarHBondContact O-CG 3.48Å; V143-R147 PolarHBondContact O-N 3.18Å; I145-R147 PolarHBondContact O-N 2.96Å; R147-K149 VanDerWaalsContact C-N 3.33Å
148K93.9Very high93.5Very high178 Ų17872.5 Ų72.577%0.77434%0.342SS*.THydrogen-bonded Turntrans-78.6-18.7176.3-62.3178.2-178.8-1790112.9I145 D146I145-K148 WeakPolarHBondContact O-CB 3.46Å; I145-K148 PolarHBondContact O-N 2.86Å; D146-K148 PolarHBondContact O-N 3.11Å
149K93Very high93.4Very high67 Ų6768.3 Ų68.329%0.29133%0.325SS..SBendtrans-78.3153.6178.2-63.9-176.7167.1-70.80111.4D146 R147 E153 R154 L157D146-K149 PolarHBondContact O-N 3.02Å; R147-K149 VanDerWaalsContact C-N 3.33Å; K149-E153 IonicContact NZ-OE1 3.76Å; K149-E153 PolarHBondContact NZ-OE1 2.79Å; K149-E153 IonicContact NZ-OE2 2.84Å; K149-R154 HydrophobicContact CB-CB 4.37Å; K149-L157 HydrophobicContact CD-CD1 3.44Å; K149-L157 VanDerWaalsContact CD-CD1 3.44Å; K149-L157 VanDerWaalsContact CE-CD1 3.43Å
150D93.9Very high93.4Very high88 Ų8869.5 Ų69.547%0.47133%0.33SS..  trans-66.9159.4175.682.777.2000111.3T152 E153 R154D150-T152 PolarHBondContact O-N 2.83Å; D150-T152 VanDerWaalsContact OD1-CA 3.31Å; D150-T152 WeakPolarHBondContact OD1-CA 3.16Å; D150-T152 WeakPolarHBondContact OD1-CB 3.28Å; D150-T152 PolarHBondContact OD1-N 2.59Å; D150-E153 PolarHBondContact O-N 3.34Å; D150-E153 PolarHBondContact OD1-N 2.95Å; D150-E153 WeakPolarHBondContact OD2-CB 3.21Å; D150-R154 VanDerWaalsContact O-CB 3.28Å; D150-R154 WeakPolarHBondContact O-CB 3.13Å; D150-R154 PolarHBondContact O-N 3.21Å
151K89.5Confident93.4Very high143 Ų14367.9 Ų67.962%0.62232%0.323SS*.Hα-helixtrans-61.2-32.8-173.9-175.9178179.5178.10112.9K155K151-K155 WeakPolarHBondContact O-CG 3.38Å; K151-K155 PolarHBondContact O-N 3.47Å
152T88.9Confident93.4Very high68 Ų6866.9 Ų66.942%0.41731%0.309SS..Hα-helixtrans-77.6-51.4-177-50.60000109.8P22 D150 R154 K155 I156P22-T152 HydrophobicContact CB-CG2 3.97Å; P22-T152 HydrophobicContact CG-CG2 3.59Å; D150-T152 PolarHBondContact O-N 2.83Å; D150-T152 VanDerWaalsContact OD1-CA 3.31Å; D150-T152 WeakPolarHBondContact OD1-CA 3.16Å; D150-T152 WeakPolarHBondContact OD1-CB 3.28Å; D150-T152 PolarHBondContact OD1-N 2.59Å; T152-R154 PolarHBondContact O-N 2.93Å; T152-K155 PolarHBondContact O-N 2.73Å; T152-I156 WeakPolarHBondContact O-CG1 3.49Å; T152-I156 PolarHBondContact O-N 3.19Å
153E91.1Very high93.6Very high73 Ų7363.8 Ų63.834%0.34129%0.294SS..Hα-helixtrans-57.5-48.2176.6-173.3-164.5175.500111K149 D150 K155 I156 L157K149-E153 IonicContact NZ-OE1 3.76Å; K149-E153 PolarHBondContact NZ-OE1 2.79Å; K149-E153 IonicContact NZ-OE2 2.84Å; D150-E153 PolarHBondContact O-N 3.34Å; D150-E153 PolarHBondContact OD1-N 2.95Å; D150-E153 WeakPolarHBondContact OD2-CB 3.21Å; E153-K155 VanDerWaalsContact C-N 3.32Å; E153-K155 PolarHBondContact O-N 2.93Å; E153-I156 WeakPolarHBondContact O-CA 3.35Å; E153-I156 WeakPolarHBondContact O-CB 3.42Å; E153-I156 PolarHBondContact O-N 3.29Å; E153-L157 HydrophobicContact CG-CD1 3.98Å; E153-L157 HydrophobicContact CG-CG 4.49Å; E153-L157 PolarHBondContact O-N 3.11Å
154R92.2Very high93.7Very high47 Ų4764 Ų6418%0.17730%0.295CS..Hα-helixtrans-57.3-42.4177.6-179.9174.854.4-167.5-7.7112.6D146 K149 D150 T152 I156 L157 D158D146-R154 WeakPolarHBondContact O-CD 3.32Å; K149-R154 HydrophobicContact CB-CB 4.37Å; D150-R154 VanDerWaalsContact O-CB 3.28Å; D150-R154 WeakPolarHBondContact O-CB 3.13Å; D150-R154 PolarHBondContact O-N 3.21Å; T152-R154 PolarHBondContact O-N 2.93Å; R154-I156 PolarHBondContact O-N 3.08Å; R154-L157 PolarHBondContact O-N 3.01Å; R154-D158 WeakPolarHBondContact O-CB 3.33Å; R154-D158 PolarHBondContact O-N 3.41Å
155K90.3Very high93.9Very high66 Ų6659.4 Ų59.429%0.28727%0.274SS..Hα-helixtrans-62.4-32.8176.6-82.5-178.1174.9-166.10112.4K151 T152 E153 S159K151-K155 WeakPolarHBondContact O-CG 3.38Å; K151-K155 PolarHBondContact O-N 3.47Å; T152-K155 PolarHBondContact O-N 2.73Å; E153-K155 VanDerWaalsContact C-N 3.32Å; E153-K155 PolarHBondContact O-N 2.93Å; K155-S159 PolarHBondContact O-N 3.26Å; K155-S159 PolarHBondContact O-OG 3.39Å
156I92.3Very high94.1Very high35 Ų3554.9 Ų54.918%0.17925%0.251CS..Hα-helixtrans-72.4-50178.3-62.5170000110.3P22 R77 T152 E153 R154 D158 S159 Q160P22-I156 HydrophobicContact CB-CD1 4.47Å; P22-I156 HydrophobicContact CG-CD1 3.94Å; P22-I156 HydrophobicContact CG-CG1 4.1Å; R77-I156 VanDerWaalsContact NH1-CA 3.33Å; T152-I156 WeakPolarHBondContact O-CG1 3.49Å; T152-I156 PolarHBondContact O-N 3.19Å; E153-I156 WeakPolarHBondContact O-CA 3.35Å; E153-I156 WeakPolarHBondContact O-CB 3.42Å; E153-I156 PolarHBondContact O-N 3.29Å; R154-I156 PolarHBondContact O-N 3.08Å; I156-D158 PolarHBondContact O-N 2.97Å; I156-S159 PolarHBondContact O-N 2.91Å; I156-S159 VanDerWaalsContact O-N 3.14Å; I156-S159 PolarHBondContact O-OG 3.45Å; I156-Q160 HydrophobicContact CG2-CG 4.46Å; I156-Q160 WeakPolarHBondContact O-CG 3.35Å; I156-Q160 PolarHBondContact O-N 3.3Å
157L94.4Very high94.3Very high56 Ų5654.1 Ų54.129%0.29325%0.247SC..Hα-helixtrans-61.1-45179.1-67.8170.6000112.1K149 E153 R154 S159 Q160 E161K149-L157 HydrophobicContact CD-CD1 3.44Å; K149-L157 VanDerWaalsContact CD-CD1 3.44Å; K149-L157 VanDerWaalsContact CE-CD1 3.43Å; E153-L157 HydrophobicContact CG-CD1 3.98Å; E153-L157 HydrophobicContact CG-CG 4.49Å; E153-L157 PolarHBondContact O-N 3.11Å; R154-L157 PolarHBondContact O-N 3.01Å; L157-S159 PolarHBondContact O-N 3.24Å; L157-Q160 PolarHBondContact O-N 3.35Å; L157-Q160 VanDerWaalsContact O-N 3.15Å; L157-E161 PolarHBondContact O-N 3.05Å
158D94Very high94.5Very high10 Ų1046.9 Ų46.95%0.05322%0.221CC..Hα-helixtrans-54.7-42.2175.4-68.1-18.6000111.3R110 L111 R154 I156 R162R110-D158 IonicContact CZ-OD2 2.85Å; R110-D158 VanDerWaalsContact CZ-OD2 3.27Å; R110-D158 IonicContact NH1-OD2 2.71Å; R110-D158 PolarHBondContact NH1-OD2 2.8Å; R110-D158 IonicContact NH2-OD2 3.84Å; R110-D158 PolarHBondContact NH2-OD2 2.94Å; L111-D158 HydrophobicContact CD2-CB 4.27Å; R154-D158 WeakPolarHBondContact O-CB 3.33Å; R154-D158 PolarHBondContact O-N 3.41Å; I156-D158 PolarHBondContact O-N 2.97Å; D158-R162 WeakPolarHBondContact O-CB 3.47Å; D158-R162 PolarHBondContact O-N 3.18Å
159S95.3Very high94.6Very high15 Ų1539.3 Ų39.311%0.10519%0.187CC..Hα-helixtrans-73.4-33.8-179.270.50000113.3F60 R77 K155 I156 L157 A163F60-S159 WeakPolarHBondContact CE2-O 3.22Å; R77-S159 PolarHBondContact NH1-OG 3.39Å; K155-S159 PolarHBondContact O-N 3.26Å; K155-S159 PolarHBondContact O-OG 3.39Å; I156-S159 PolarHBondContact O-N 2.91Å; I156-S159 VanDerWaalsContact O-N 3.14Å; I156-S159 PolarHBondContact O-OG 3.45Å; L157-S159 PolarHBondContact O-N 3.24Å; S159-A163 WeakPolarHBondContact O-CB 3.35Å; S159-A163 PolarHBondContact O-N 2.87Å
160Q97.3Very high94.8Very high25 Ų2536.6 Ų36.612%0.11718%0.176CC..Hα-helixtrans-70.6-42.5177.3-77.8179.2-31.300111.2F60 Q79 F83 I156 L157 A163 F164F60-Q160 HydrophobicContact CE1-CG 4.11Å; F60-Q160 HydrophobicContact CZ-CB 4.45Å; F60-Q160 HydrophobicContact CZ-CG 3.82Å; Q79-Q160 PolarHBondContact NE2-O 3.24Å; Q79-Q160 VanDerWaalsContact OE1-CB 3.26Å; F83-Q160 HydrophobicContact CD2-CB 4.24Å; F83-Q160 HydrophobicContact CE2-CB 4.16Å; I156-Q160 HydrophobicContact CG2-CG 4.46Å; I156-Q160 WeakPolarHBondContact O-CG 3.35Å; I156-Q160 PolarHBondContact O-N 3.3Å; L157-Q160 PolarHBondContact O-N 3.35Å; L157-Q160 VanDerWaalsContact O-N 3.15Å; Q160-A163 PolarHBondContact O-N 3.2Å; Q160-F164 PolarHBondContact O-N 3.31Å
161E97.2Very high94.9Very high37 Ų3733.8 Ų33.817%0.17316%0.162CC..Hα-helixtrans-65.8-39.8174.3-170.4-178-159.100111.4F83 Y99 K102 L157 F164 W165F83-E161 HydrophobicContact CZ-CB 4.43Å; Y99-E161 HydrophobicContact CD2-CG 3.82Å; Y99-E161 HydrophobicContact CE2-CB 4.46Å; Y99-E161 HydrophobicContact CE2-CG 3.84Å; K102-E161 WeakPolarHBondContact CE-OE2 3.3Å; K102-E161 IonicContact NZ-OE1 2.73Å; K102-E161 PolarHBondContact NZ-OE1 3.43Å; K102-E161 IonicContact NZ-OE2 3.27Å; K102-E161 PolarHBondContact NZ-OE2 3.15Å; L157-E161 PolarHBondContact O-N 3.05Å; E161-F164 WeakPolarHBondContact O-CB 3.36Å; E161-F164 PolarHBondContact O-N 2.84Å; E161-W165 PolarHBondContact O-N 3.44Å; E161-W165 VanDerWaalsContact O-N 3.15Å
162R97.4Very high95.2Very high27 Ų2730.7 Ų30.710%0.10216%0.157CC..Hα-helixtrans-57-51.7171-178.8-172.561.284.6-16.6111.6P61 I62 D64 Y99 D158 F164 W165 D166P61-R162 PolarHBondContact O-NH2 3.49Å; I62-R162 VanDerWaalsContact C-NH2 3.31Å; I62-R162 PolarHBondContact O-NH2 3.03Å; D64-R162 PolarHBondContact O-NH1 2.85Å; D64-R162 PolarHBondContact O-NH2 3.3Å; Y99-R162 VanDerWaalsContact OH-CA 3.27Å; Y99-R162 WeakPolarHBondContact OH-CA 3.46Å; Y99-R162 WeakPolarHBondContact OH-CB 3.29Å; D158-R162 WeakPolarHBondContact O-CB 3.47Å; D158-R162 PolarHBondContact O-N 3.18Å; R162-F164 VanDerWaalsContact C-N 3.25Å; R162-F164 PolarHBondContact O-N 3.49Å; R162-W165 CarbonylContact O-C 3.57Å; R162-W165 WeakPolarHBondContact O-CA 3.32Å; R162-W165 PolarHBondContact O-N 2.82Å; R162-D166 IonicContact CZ-OD2 3.95Å; R162-D166 IonicContact NH1-OD2 2.72Å; R162-D166 PolarHBondContact NH1-OD2 2.69Å; R162-D166 VanDerWaalsContact O-CG 3.31Å; R162-D166 PolarHBondContact O-N 3.01Å
163A98Very high95.4Very high0 Ų031.6 Ų31.60%018%0.18CC..Hα-helixtrans-62.5-31.6-179.200000113.4F60 S159 Q160 D166 V167F60-A163 HydrophobicContact CB-CB 3.62Å; F60-A163 HydrophobicContact CD1-CB 3.33Å; F60-A163 HydrophobicContact CD2-CB 3.57Å; F60-A163 HydrophobicContact CE1-CB 3.77Å; F60-A163 HydrophobicContact CE2-CB 3.99Å; F60-A163 HydrophobicContact CG-CB 3.21Å; F60-A163 HydrophobicContact CZ-CB 4.08Å; S159-A163 WeakPolarHBondContact O-CB 3.35Å; S159-A163 PolarHBondContact O-N 2.87Å; Q160-A163 PolarHBondContact O-N 3.2Å; A163-D166 PolarHBondContact O-N 2.99Å; A163-V167 PolarHBondContact O-N 3.43Å
164F98.2Very high95.6Very high13 Ų1330.5 Ų30.56%0.05718%0.18CC..Hα-helixtrans-60.6-48.2170.1169.3-95.6000111F83 W89 P91 Q160 E161 R162 D166 V167 H168F83-F164 HydrophobicContact CB-CB 4.26Å; F83-F164 HydrophobicContact CB-CD2 4.01Å; F83-F164 HydrophobicContact CD1-CB 3.82Å; F83-F164 HydrophobicContact CD1-CD1 4.42Å; F83-F164 AromaticContact CD1-CD2 3.53Å; F83-F164 HydrophobicContact CD1-CD2 3.53Å; F83-F164 HydrophobicContact CD1-CE2 4.17Å; F83-F164 AromaticContact CD1-CG 3.66Å; F83-F164 HydrophobicContact CD1-CG 3.66Å; F83-F164 HydrophobicContact CE1-CB 4.31Å; F83-F164 HydrophobicContact CE1-CD2 4.39Å; F83-F164 HydrophobicContact CE1-CG 4.17Å; F83-F164 HydrophobicContact CG-CB 4.05Å; F83-F164 HydrophobicContact CG-CD2 4.15Å; F83-F164 HydrophobicContact CG-CG 4.32Å; W89-F164 HydrophobicContact CB-CE2 3.99Å; W89-F164 HydrophobicContact CB-CZ 4.3Å; W89-F164 AromaticContact CD1-CE2 3.89Å; W89-F164 AromaticContact CD2-CE2 3.95Å; W89-F164 HydrophobicContact CD2-CE2 3.95Å; W89-F164 HydrophobicContact CD2-CZ 4.25Å; W89-F164 HydrophobicContact CE3-CZ 4.37Å; W89-F164 AromaticContact CG-CE2 3.68Å; W89-F164 HydrophobicContact CG-CE2 3.68Å; W89-F164 HydrophobicContact CG-CZ 4.23Å; P91-F164 HydrophobicContact CB-CE1 4.12Å; P91-F164 HydrophobicContact CB-CZ 3.98Å; P91-F164 HydrophobicContact CG-CE1 4.18Å; P91-F164 HydrophobicContact CG-CZ 3.86Å; Q160-F164 PolarHBondContact O-N 3.31Å; E161-F164 WeakPolarHBondContact O-CB 3.36Å; E161-F164 PolarHBondContact O-N 2.84Å; R162-F164 VanDerWaalsContact C-N 3.25Å; R162-F164 PolarHBondContact O-N 3.49Å; F164-D166 VanDerWaalsContact C-N 3.34Å; F164-D166 PolarHBondContact O-N 2.89Å; F164-V167 WeakPolarHBondContact O-CB 3.33Å; F164-V167 PolarHBondContact O-N 3.29Å; F164-H168 AromaticContact CD2-CD2 3.62Å; F164-H168 AromaticContact CD2-NE2 3.79Å; F164-H168 AromaticContact CE1-CD2 3.97Å; F164-H168 AromaticContact CE2-CD2 3.3Å; F164-H168 WeakPolarHBondContact CE2-CD2 3.13Å; F164-H168 AromaticContact CE2-NE2 3.23Å; F164-H168 WeakPolarHBondContact CE2-NE2 3.21Å; F164-H168 AromaticContact CZ-CD2 3.49Å; F164-H168 VanDerWaalsContact CZ-CD2 3.49Å; F164-H168 WeakPolarHBondContact CZ-CD2 3.38Å; F164-H168 AromaticContact CZ-NE2 3.71Å; F164-H168 PolarHBondContact O-CD2 2.64Å; F164-H168 VanDerWaalsContact O-CD2 3.25Å; F164-H168 PolarHBondContact O-N 2.97Å
165W97.8Very high95.7Very high11 Ų1134.2 Ų34.24%0.04221%0.207CC..Hα-helixtrans-68.5-30.9177.5-71.9113.6000113.5P91 D95 Y96 Y99 E161 R162 V167 H168 R169P91-W165 HydrophobicContact CB-CH2 3.64Å; P91-W165 HydrophobicContact CB-CZ3 3.82Å; P91-W165 HydrophobicContact CG-CH2 4.37Å; P91-W165 HydrophobicContact CG-CZ3 4.04Å; D95-W165 HydrophobicContact CB-CH2 3.8Å; D95-W165 HydrophobicContact CB-CZ2 3.92Å; Y96-W165 VanDerWaalsContact CA-CH2 3.46Å; Y96-W165 AromaticContact CD2-CD2 3.55Å; Y96-W165 HydrophobicContact CD2-CD2 3.55Å; Y96-W165 AromaticContact CD2-CE3 3.4Å; Y96-W165 HydrophobicContact CD2-CE3 3.4Å; Y96-W165 VanDerWaalsContact CD2-CE3 3.4Å; Y96-W165 HydrophobicContact CD2-CG 4.07Å; Y96-W165 HydrophobicContact CD2-CH2 4.21Å; Y96-W165 HydrophobicContact CD2-CZ2 4.35Å; Y96-W165 AromaticContact CD2-CZ3 3.77Å; Y96-W165 HydrophobicContact CD2-CZ3 3.77Å; Y96-W165 HydrophobicContact CE2-CB 4.25Å; Y96-W165 HydrophobicContact CE2-CD2 4.13Å; Y96-W165 HydrophobicContact CE2-CE3 4.08Å; Y96-W165 HydrophobicContact CE2-CG 4.22Å; Y96-W165 HydrophobicContact CG-CD2 4.49Å; Y96-W165 HydrophobicContact CG-CE3 4.01Å; Y96-W165 HydrophobicContact CG-CH2 4.3Å; Y96-W165 AromaticContact CG-CZ3 3.91Å; Y96-W165 HydrophobicContact CG-CZ3 3.91Å; Y96-W165 VanDerWaalsContact N-CH2 3.29Å; Y99-W165 HydrophobicContact CD1-CB 4.41Å; Y99-W165 AromaticContact CD1-CD1 3.38Å; Y99-W165 HydrophobicContact CD1-CD2 4.35Å; Y99-W165 AromaticContact CD1-CG 3.8Å; Y99-W165 HydrophobicContact CD1-CG 3.8Å; Y99-W165 AromaticContact CD1-NE1 3.69Å; Y99-W165 AromaticContact CD2-CD1 3.45Å; Y99-W165 VanDerWaalsContact CD2-CD1 3.45Å; Y99-W165 AromaticContact CD2-NE1 3.51Å; Y99-W165 HydrophobicContact CE1-CB 4.07Å; Y99-W165 AromaticContact CE1-CD1 3.56Å; Y99-W165 AromaticContact CE1-CG 3.9Å; Y99-W165 HydrophobicContact CE1-CG 3.9Å; Y99-W165 AromaticContact CE2-CD1 3.61Å; Y99-W165 AromaticContact CG-CD1 3.31Å; Y99-W165 HydrophobicContact CG-CG 4.14Å; Y99-W165 AromaticContact CG-NE1 3.23Å; Y99-W165 AromaticContact CZ-CD1 3.66Å; E161-W165 PolarHBondContact O-N 3.44Å; E161-W165 VanDerWaalsContact O-N 3.15Å; R162-W165 CarbonylContact O-C 3.57Å; R162-W165 WeakPolarHBondContact O-CA 3.32Å; R162-W165 PolarHBondContact O-N 2.82Å; W165-V167 PolarHBondContact O-N 3.23Å; W165-H168 HydrophobicContact CE3-CB 4.3Å; W165-H168 PolarHBondContact O-N 3.1Å; W165-R169 HydrophobicContact CE3-CB 4.49Å; W165-R169 HydrophobicContact CE3-CG 3.78Å; W165-R169 HydrophobicContact CZ3-CG 4.07Å; W165-R169 CarbonylContact O-C 3.56Å; W165-R169 WeakPolarHBondContact O-CA 3.44Å; W165-R169 WeakPolarHBondContact O-CB 3.37Å; W165-R169 PolarHBondContact O-N 3.4Å
166D97.7Very high95.8Very high4 Ų431.9 Ų31.92%0.02120%0.198CC..Hα-helixtrans-63.6-25.3174.3-64.7-27.6000112.4H65 L67 R162 A163 F164 P170H65-D166 IonicContact CE1-OD1 2.93Å; H65-D166 IonicContact CG-OD1 3.23Å; H65-D166 IonicContact ND1-OD1 3.55Å; H65-D166 PolarHBondContact ND1-OD1 3.23Å; H65-D166 IonicContact ND1-OD2 3.36Å; L67-D166 HydrophobicContact CD1-CB 3.86Å; L67-D166 HydrophobicContact CD2-CB 3.99Å; L67-D166 HydrophobicContact CG-CB 3.9Å; R162-D166 IonicContact CZ-OD2 3.95Å; R162-D166 IonicContact NH1-OD2 2.72Å; R162-D166 PolarHBondContact NH1-OD2 2.69Å; R162-D166 VanDerWaalsContact O-CG 3.31Å; R162-D166 PolarHBondContact O-N 3.01Å; A163-D166 PolarHBondContact O-N 2.99Å; F164-D166 VanDerWaalsContact C-N 3.34Å; F164-D166 PolarHBondContact O-N 2.89Å; D166-P170 VanDerWaalsContact O-CA 3.25Å; D166-P170 WeakPolarHBondContact O-CA 3.45Å; D166-P170 WeakPolarHBondContact O-CB 3.42Å
167V96.9Very high95.9Very high8 Ų831.9 Ų31.95%0.04820%0.2CC..Hα-helixtrans-77.8-48.9170.5175.10000111.4L67 A163 F164 W165 T178L67-V167 HydrophobicContact CD1-CB 4.44Å; L67-V167 HydrophobicContact CD1-CG2 3.47Å; L67-V167 VanDerWaalsContact CD1-CG2 3.47Å; A163-V167 PolarHBondContact O-N 3.43Å; F164-V167 WeakPolarHBondContact O-CB 3.33Å; F164-V167 PolarHBondContact O-N 3.29Å; W165-V167 PolarHBondContact O-N 3.23Å; V167-T178 HydrophobicContact CG1-CG2 3.9Å
168H95.7Very high95.7Very high13 Ų1331.9 Ų31.96%0.0620%0.202CC..Hα-helixtrans-85.8-18.5-169.9-72.6-78000114.4P91 F164 W165P91-H168 WeakPolarHBondContact CD-ND1 3.44Å; P91-H168 HydrophobicContact CG-CB 3.74Å; F164-H168 AromaticContact CD2-CD2 3.62Å; F164-H168 AromaticContact CD2-NE2 3.79Å; F164-H168 AromaticContact CE1-CD2 3.97Å; F164-H168 AromaticContact CE2-CD2 3.3Å; F164-H168 WeakPolarHBondContact CE2-CD2 3.13Å; F164-H168 AromaticContact CE2-NE2 3.23Å; F164-H168 WeakPolarHBondContact CE2-NE2 3.21Å; F164-H168 AromaticContact CZ-CD2 3.49Å; F164-H168 VanDerWaalsContact CZ-CD2 3.49Å; F164-H168 WeakPolarHBondContact CZ-CD2 3.38Å; F164-H168 AromaticContact CZ-NE2 3.71Å; F164-H168 PolarHBondContact O-CD2 2.64Å; F164-H168 VanDerWaalsContact O-CD2 3.25Å; F164-H168 PolarHBondContact O-N 2.97Å; W165-H168 HydrophobicContact CE3-CB 4.3Å; W165-H168 PolarHBondContact O-N 3.1Å
169R95.8Very high95.4Very high20 Ų2038.1 Ų38.18%0.07523%0.231CC..SBendtrans-139.964178.6-63.1-63.8-178.1-72.7-4108P91 N93 Y96 W165P91-R169 PolarHBondContact O-NH2 3.15Å; P91-R169 VanDerWaalsContact O-NH2 3.16Å; N93-R169 PolarHBondContact OD1-NH2 3.33Å; Y96-R169 HydrophobicContact CD1-CG 3.76Å; Y96-R169 HydrophobicContact CD2-CG 4Å; Y96-R169 HydrophobicContact CE1-CB 4Å; Y96-R169 HydrophobicContact CE1-CG 3.74Å; Y96-R169 HydrophobicContact CE2-CB 4.04Å; Y96-R169 HydrophobicContact CE2-CG 3.99Å; Y96-R169 HydrophobicContact CG-CG 3.91Å; W165-R169 HydrophobicContact CE3-CB 4.49Å; W165-R169 HydrophobicContact CE3-CG 3.78Å; W165-R169 HydrophobicContact CZ3-CG 4.07Å; W165-R169 CarbonylContact O-C 3.56Å; W165-R169 WeakPolarHBondContact O-CA 3.44Å; W165-R169 WeakPolarHBondContact O-CB 3.37Å; W165-R169 PolarHBondContact O-N 3.4Å
170P96Very high94.8Very high9 Ų941 Ų416%0.05824%0.243CC..PPolyproline II helixtrans-64.1157.8-170.628.2-36.1000112.4D166 C174 N176 Y199D166-P170 VanDerWaalsContact O-CA 3.25Å; D166-P170 WeakPolarHBondContact O-CA 3.45Å; D166-P170 WeakPolarHBondContact O-CB 3.42Å; P170-C174 HydrophobicContact CB-CB 4.18Å; P170-N176 HydrophobicContact CG-CB 4.13Å; P170-Y199 PolarHBondContact O-OH 3.1Å
171V96.1Very high94.3Very high29 Ų2942.7 Ų42.718%0.17625%0.253CS..PPolyproline II helixtrans-54.2133.6171.6-176.90000109H65 V66 Y116 G173 C174H65-V171 HydrophobicContact CB-CG2 3.53Å; V66-V171 HydrophobicContact CG2-CB 4.46Å; V66-V171 HydrophobicContact CG2-CG2 4.22Å; Y116-V171 HydrophobicContact CE1-CG1 4.44Å; Y116-V171 HydrophobicContact CE1-CG2 3.99Å; V171-G173 PolarHBondContact O-N 3.06Å; V171-C174 VanDerWaalsContact O-CB 3.25Å; V171-C174 WeakPolarHBondContact O-CB 3.28Å; V171-C174 PolarHBondContact O-N 2.73Å
172P95.9Very high93.6Very high78 Ų7845.5 Ų45.551%0.50627%0.269SS..THydrogen-bonded Turntrans-51.3132.9176.8-28.235.4000112.4Y116Y116-P172 HydrophobicContact CD2-CG 4.47Å; Y116-P172 HydrophobicContact CG-CG 4.32Å
173G93.8Very high93Very high88 Ų8852.3 Ų52.391%0.90729%0.294SS*.THydrogen-bonded Turntrans91.9-14.9-174.600000114.6V171V171-G173 PolarHBondContact O-N 3.06Å
174C94.9Very high92.2Very high49 Ų4957.7 Ų57.733%0.33132%0.318SS..SBendtrans-79.4148.7170.2-66.40000111.4P170 V171 N176P170-C174 HydrophobicContact CB-CB 4.18Å; V171-C174 VanDerWaalsContact O-CB 3.25Å; V171-C174 WeakPolarHBondContact O-CB 3.28Å; V171-C174 PolarHBondContact O-N 2.73Å; C174-N176 PolarHBondContact O-N 3.05Å
175V93.9Very high91.1Very high126 Ų12657 Ų5776%0.76432%0.315SS*.  trans-66.6129.4173.6177.80000109.5T177V175-T177 PolarHBondContact O-N 3.12Å
176N93.9Very high89.9Confident17 Ų1766.5 Ų66.59%0.09135%0.351CS..  trans-82.3100.2173.2-1805.5000110.6P170 C174 T178 E179 V198P170-N176 HydrophobicContact CG-CB 4.13Å; C174-N176 PolarHBondContact O-N 3.05Å; N176-T178 PolarHBondContact O-N 3.21Å; N176-T178 VanDerWaalsContact O-N 3.15Å; N176-T178 PolarHBondContact OD1-N 3.07Å; N176-T178 VanDerWaalsContact OD1-N 3.16Å; N176-T178 PolarHBondContact OD1-OG1 3.41Å; N176-E179 HydrophobicContact CB-CG 4.16Å; N176-E179 WeakPolarHBondContact CB-OE1 3.33Å; N176-E179 WeakPolarHBondContact ND2-CG 3.48Å; N176-E179 PolarHBondContact ND2-OE1 2.93Å; N176-E179 PolarHBondContact O-N 3.09Å; N176-V198 WeakPolarHBondContact ND2-CG2 3.34Å
177T94Very high88.9Confident35 Ų3575.1 Ų75.122%0.21538%0.383CS..THydrogen-bonded Turntrans-68.7-11-176.753.20000114.1A55 V175A55-T177 HydrophobicContact CB-CG2 3.84Å; A55-T177 WeakPolarHBondContact O-CG2 3.46Å; A55-T177 PolarHBondContact O-OG1 3.03Å; V175-T177 PolarHBondContact O-N 3.12Å
178T90.3Very high87.5Confident55 Ų5579.9 Ų79.934%0.33741%0.407SS..THydrogen-bonded Turntrans-84.6-11.5177.572.50000113.4V167 N176V167-T178 HydrophobicContact CG1-CG2 3.9Å; N176-T178 PolarHBondContact O-N 3.21Å; N176-T178 VanDerWaalsContact O-N 3.15Å; N176-T178 PolarHBondContact OD1-N 3.07Å; N176-T178 VanDerWaalsContact OD1-N 3.16Å; N176-T178 PolarHBondContact OD1-OG1 3.41Å
179E88.3Confident86Confident141 Ų14186.2 Ų86.266%0.65944%0.435SS*.  trans-69.2135.5177.3-76.7172-159.200111.8N176N176-E179 HydrophobicContact CB-CG 4.16Å; N176-E179 WeakPolarHBondContact CB-OE1 3.33Å; N176-E179 WeakPolarHBondContact ND2-CG 3.48Å; N176-E179 PolarHBondContact ND2-OE1 2.93Å; N176-E179 PolarHBondContact O-N 3.09Å
180M82.8Confident84.1Confident75 Ų7587.9 Ų87.937%0.36945%0.445SS..  trans-120.1139.6-177.5-68.1-169.570.200111.6I182 K184 C185 L188 K193M180-I182 PolarHBondContact O-N 2.67Å; M180-K184 HydrophobicContact CE-CB 4.23Å; M180-C185 VanDerWaalsContact CB-SG 3.55Å; M180-L188 HydrophobicContact CE-CD1 3.81Å; M180-K193 HydrophobicContact SD-CD 3.8Å
181D85.3Confident81.9Confident61 Ų6191.7 Ų91.733%0.32647%0.47SS..  trans-55.7130.5172.6-178.9-56.1000110.7R183 K184 C185D181-R183 PolarHBondContact O-N 3.04Å; D181-R183 VanDerWaalsContact O-N 3.09Å; D181-R183 WeakPolarHBondContact OD1-CA 3.44Å; D181-R183 WeakPolarHBondContact OD1-CB 3.34Å; D181-R183 WeakPolarHBondContact OD1-CG 3.4Å; D181-R183 PolarHBondContact OD1-N 3.36Å; D181-R183 IonicContact OD1-NE 2.91Å; D181-R183 PolarHBondContact OD1-NE 3.17Å; D181-R183 IonicContact OD2-CZ 3.68Å; D181-R183 IonicContact OD2-NE 3.32Å; D181-R183 PolarHBondContact OD2-NE 2.88Å; D181-R183 IonicContact OD2-NH2 2.77Å; D181-R183 PolarHBondContact OD2-NH2 3.23Å; D181-K184 HydrophobicContact CB-CD 4.37Å; D181-K184 HydrophobicContact CB-CG 4.28Å; D181-K184 WeakPolarHBondContact O-CA 3.17Å; D181-K184 WeakPolarHBondContact O-CB 3.43Å; D181-K184 PolarHBondContact O-N 3.43Å; D181-C185 PolarHBondContact O-N 3.36Å; D181-C185 VanDerWaalsContact O-N 3.08Å
182I83.6Confident79.9Confident96 Ų9695.7 Ų95.749%0.49249%0.487SS..Hα-helixtrans-47.4-39.3178.9178.654.6000113.7M180 K184 C185 R186 V194M180-I182 PolarHBondContact O-N 2.67Å; I182-K184 VanDerWaalsContact C-N 3.34Å; I182-C185 PolarHBondContact O-N 3.06Å; I182-R186 PolarHBondContact O-N 3.32Å; I182-V194 HydrophobicContact CD1-CB 3.83Å; I182-V194 HydrophobicContact CD1-CG1 3.34Å; I182-V194 HydrophobicContact CD1-CG2 3.12Å
183R84.1Confident77.8Confident171 Ų17195.3 Ų95.365%0.64548%0.477SS*.Hα-helixtrans-69.7-32.9179.1-58.7173.2-73.1-165.9-3111.3D181 R187D181-R183 PolarHBondContact O-N 3.04Å; D181-R183 VanDerWaalsContact O-N 3.09Å; D181-R183 WeakPolarHBondContact OD1-CA 3.44Å; D181-R183 WeakPolarHBondContact OD1-CB 3.34Å; D181-R183 WeakPolarHBondContact OD1-CG 3.4Å; D181-R183 PolarHBondContact OD1-N 3.36Å; D181-R183 IonicContact OD1-NE 2.91Å; D181-R183 PolarHBondContact OD1-NE 3.17Å; D181-R183 IonicContact OD2-CZ 3.68Å; D181-R183 IonicContact OD2-NE 3.32Å; D181-R183 PolarHBondContact OD2-NE 2.88Å; D181-R183 IonicContact OD2-NH2 2.77Å; D181-R183 PolarHBondContact OD2-NH2 3.23Å; R183-R187 WeakPolarHBondContact O-CG 3.33Å; R183-R187 PolarHBondContact O-N 3.14Å; R183-R187 PolarHBondContact O-NE 3.45Å
184K82.1Confident75.7Confident112 Ų11294.6 Ų94.649%0.48746%0.455SS..Hα-helixtrans-69.5-44.7172.9-68.8-178.2179.2178.30110.3M180 D181 I182 R186 R187 L188M180-K184 HydrophobicContact CE-CB 4.23Å; D181-K184 HydrophobicContact CB-CD 4.37Å; D181-K184 HydrophobicContact CB-CG 4.28Å; D181-K184 WeakPolarHBondContact O-CA 3.17Å; D181-K184 WeakPolarHBondContact O-CB 3.43Å; D181-K184 PolarHBondContact O-N 3.43Å; I182-K184 VanDerWaalsContact C-N 3.34Å; K184-R186 VanDerWaalsContact C-N 3.34Å; K184-R186 PolarHBondContact O-N 3.14Å; K184-R187 PolarHBondContact O-N 3.07Å; K184-L188 WeakPolarHBondContact O-CG 3.5Å; K184-L188 PolarHBondContact O-N 3.39Å
185C75.3Confident73.4Confident0 Ų0100.5 Ų100.50%048%0.475CS..Hα-helixtrans-58.6-43.8177-61.50000112.5M180 D181 I182 L188 K189 N190 K193 V194M180-C185 VanDerWaalsContact CB-SG 3.55Å; D181-C185 PolarHBondContact O-N 3.36Å; D181-C185 VanDerWaalsContact O-N 3.08Å; I182-C185 PolarHBondContact O-N 3.06Å; C185-L188 PolarHBondContact O-N 2.92Å; C185-K189 PolarHBondContact O-N 3.24Å; C185-N190 PolarHBondContact O-N 2.89Å; C185-K193 HydrophobicContact CB-CB 4.16Å; C185-K193 VanDerWaalsContact SG-CB 3.56Å; C185-V194 HydrophobicContact CB-CG2 3.75Å
186R72.6Confident71.4Confident210 Ų210100.5 Ų100.579%0.79247%0.465SS*.Hα-helixtrans-64.4-42.8177.3-170.3179.4-179.4-1630.6112.5I182 K184 L188 K189I182-R186 PolarHBondContact O-N 3.32Å; K184-R186 VanDerWaalsContact C-N 3.34Å; K184-R186 PolarHBondContact O-N 3.14Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 3.26Å; R186-K189 WeakPolarHBondContact O-CA 3.38Å; R186-K189 PolarHBondContact O-N 2.85Å
187R75.4Confident69.3Low185 Ų185103.2 Ų103.270%0.69849%0.485SS*.Hα-helixtrans-64.3-36.7177.9-78.4-174.5-70.4175.3-3.6112.5R183 K184 K189R183-R187 WeakPolarHBondContact O-CG 3.33Å; R183-R187 PolarHBondContact O-N 3.14Å; R183-R187 PolarHBondContact O-NE 3.45Å; K184-R187 PolarHBondContact O-N 3.07Å; R187-K189 PolarHBondContact O-N 3.29Å
188L68.6Low67.3Low108 Ų108102.4 Ų102.457%0.56548%0.48SS*.THydrogen-bonded Turntrans-743.5174.1-67.3170.4000113.1M180 K184 C185 R186 N190M180-L188 HydrophobicContact CE-CD1 3.81Å; K184-L188 WeakPolarHBondContact O-CG 3.5Å; K184-L188 PolarHBondContact O-N 3.39Å; C185-L188 PolarHBondContact O-N 2.92Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 3.26Å; L188-N190 PolarHBondContact O-N 2.86Å; L188-N190 VanDerWaalsContact O-N 3.11Å
189K63.8Low65.4Low146 Ų146104.4 Ų104.464%0.63548%0.482SS*.THydrogen-bonded Turntrans50.231.3-173.8-58.8-177.1-174.7176.20112.7C185 R186 R187 P191C185-K189 PolarHBondContact O-N 3.24Å; R186-K189 WeakPolarHBondContact O-CA 3.38Å; R186-K189 PolarHBondContact O-N 2.85Å; R187-K189 PolarHBondContact O-N 3.29Å; K189-P191 WeakPolarHBondContact O-CD 3.19Å
190N54.7Low63.5Low54 Ų5498.9 Ų98.929%0.28946%0.463SS..  trans-117.973.8-179.3-162.9-6.7000110.6C185 L188 Q192 K193C185-N190 PolarHBondContact O-N 2.89Å; L188-N190 PolarHBondContact O-N 2.86Å; L188-N190 VanDerWaalsContact O-N 3.11Å; N190-Q192 PolarHBondContact O-N 2.84Å; N190-K193 WeakPolarHBondContact ND2-CE 3.4Å; N190-K193 PolarHBondContact O-N 3.36Å
191P50.5Low61.7Low90 Ų9099.4 Ų99.458%0.58447%0.47SS*.G310 helixtrans-69.1-13.6-174.827.6-34000113.8K189 K193 V194K189-P191 WeakPolarHBondContact O-CD 3.19Å; P191-K193 VanDerWaalsContact C-N 3.3Å; P191-K193 PolarHBondContact O-N 3.22Å; P191-V194 PolarHBondContact O-N 3.35Å
192Q53.7Low60Low112 Ų112100.5 Ų100.552%0.52348%0.48SS..G310 helixtrans-69.4-25.5177.7-65.3-162.5000113.1N190 V194 K195N190-Q192 PolarHBondContact O-N 2.84Å; Q192-V194 PolarHBondContact O-N 3.16Å; Q192-V194 VanDerWaalsContact O-N 3.1Å; Q192-K195 PolarHBondContact O-N 3.47Å
193K53.3Low58Low71 Ų71103.5 Ų103.531%0.30950%0.497SS..G310 helixtrans-64.2-12.8177.1-69.9-166.6168.7-165.70114.7E90 M180 C185 N190 P191E90-K193 WeakPolarHBondContact OE1-CE 3.28Å; E90-K193 IonicContact OE1-NZ 2.85Å; M180-K193 HydrophobicContact SD-CD 3.8Å; C185-K193 HydrophobicContact CB-CB 4.16Å; C185-K193 VanDerWaalsContact SG-CB 3.56Å; N190-K193 WeakPolarHBondContact ND2-CE 3.4Å; N190-K193 PolarHBondContact O-N 3.36Å; P191-K193 VanDerWaalsContact C-N 3.3Å; P191-K193 PolarHBondContact O-N 3.22Å
194V48.9Very low56.2Low72 Ų72101 Ų10144%0.43649%0.492SS..G310 helixtrans-86.8-25.3-176.2179.20000112.1I182 C185 P191 Q192I182-V194 HydrophobicContact CD1-CB 3.83Å; I182-V194 HydrophobicContact CD1-CG1 3.34Å; I182-V194 HydrophobicContact CD1-CG2 3.12Å; C185-V194 HydrophobicContact CB-CG2 3.75Å; P191-V194 PolarHBondContact O-N 3.35Å; Q192-V194 PolarHBondContact O-N 3.16Å; Q192-V194 VanDerWaalsContact O-N 3.1Å
195K46.5Very low53.9Low174 Ų174102 Ų10276%0.75751%0.508SS*.THydrogen-bonded Turntrans-105.7-10.1-166.6-68.6-171.5176.3-1750114.8Q192 S197Q192-K195 PolarHBondContact O-N 3.47Å; K195-S197 PolarHBondContact O-N 3.32Å
196K52.4Low52.2Low125 Ų125109.4 Ų109.454%0.54354%0.542SS..  trans-92.490-176.3-65.3-175.1-178.7-179.40109.8
197S49.4Very low50.4Low74 Ų74104.7 Ų104.752%0.51754%0.542SS..  trans-65.5134.8163.4171.80000108.7K195 Y199 G200K195-S197 PolarHBondContact O-N 3.32Å; S197-Y199 PolarHBondContact O-N 2.89Å; S197-Y199 VanDerWaalsContact O-N 3.1Å; S197-Y199 PolarHBondContact OG-N 3.49Å; S197-G200 PolarHBondContact O-N 2.95Å; S197-G200 PolarHBondContact OG-N 3.48Å
198V51.2Low48.7Very low19 Ų19103.3 Ų103.312%0.11554%0.543CS..THydrogen-bonded Turntrans-58.5-24177.5173.20000112.8N176N176-V198 WeakPolarHBondContact ND2-CG2 3.34Å
199Y50.4Low47Very low96 Ų96103 Ų10338%0.37655%0.55SS.*THydrogen-bonded Turntrans-107.9-1.9177.3-57.5-80.2000113.3R123 P170 S197 V201R123-Y199 PolarHBondContact NH1-O 3.49Å; P170-Y199 PolarHBondContact O-OH 3.1Å; S197-Y199 PolarHBondContact O-N 2.89Å; S197-Y199 VanDerWaalsContact O-N 3.1Å; S197-Y199 PolarHBondContact OG-N 3.49Å; Y199-V201 PolarHBondContact O-N 3.38Å
200G48.3Very low45.9Very low26 Ų26102 Ų10227%0.26856%0.558SS.*  trans-80.2117.8178.600000110.9S197 T202S197-G200 PolarHBondContact O-N 2.95Å; S197-G200 PolarHBondContact OG-N 3.48Å; G200-T202 PolarHBondContact O-N 3.44Å
201V46.7Very low45.1Very low85 Ų85105.2 Ų105.252%0.51558%0.58SS.*  trans-83.997.5164.6-176.40000106.5A127 Y199A127-V201 HydrophobicContact CB-CG1 4.22Å; Y199-V201 PolarHBondContact O-N 3.38Å
202T48.9Very low44.8Very low85 Ų85108.9 Ų108.952%0.52159%0.589SS.*  trans-83.8139.6167.442.30000109.8G200 E204G200-T202 PolarHBondContact O-N 3.44Å; T202-E204 PolarHBondContact O-N 3.32Å
203D42Very low44.2Very low159 Ų159110.9 Ų110.985%0.8560%0.601SS**  trans-63.9111.1177.4-143-3.1000109.7T205D203-T205 PolarHBondContact O-N 2.82Å; D203-T205 VanDerWaalsContact O-N 3.14Å
204E44.7Very low43.7Very low118 Ų118112.2 Ų112.255%0.55162%0.618SS**  trans-76.894.2-175.1-78.4-81.6149.200110.3T202T202-E204 PolarHBondContact O-N 3.32Å
205T34.5Very low43.6Very low134 Ų134114.2 Ų114.282%0.82264%0.635SS**  trans-104.83.4165.120.20000114.4D203D203-T205 PolarHBondContact O-N 2.82Å; D203-T205 VanDerWaalsContact O-N 3.14Å
206Q39.1Very low44Very low154 Ų154112.2 Ų112.272%0.7263%0.628SS**  trans-140.987.1174.4-72.6-174-2.700112.4Q208Q206-Q208 PolarHBondContact O-N 2.97Å
207S36.2Very low44Very low112 Ų112112.3 Ų112.378%0.78364%0.641SS**  trans-66.7108.6160.442.70000109.8
208Q38Very low44.4Very low156 Ų156116.5 Ų116.573%0.72966%0.656SS**  trans-125.4112.8162.1-73.2-169.8-8.400108.5Q206Q206-Q208 PolarHBondContact O-N 2.97Å
209S33.5Very low45.3Very low101 Ų101125 Ų12571%0.70669%0.686SS**  trans-56.4146.2169.8-68.80000111.5V211S209-V211 VanDerWaalsContact C-N 3.29Å; S209-V211 PolarHBondContact O-N 3.25Å
210P41.4Very low46.6Very low124 Ų124129.3 Ų129.381%0.80571%0.707SS**  trans-7881.6179.531.9-31.8000109.3
211V38.1Very low48.3Very low123 Ų123133.2 Ų133.275%0.74573%0.726SS**  trans-81.1116.4160.3-179.10000106.7S209 I213S209-V211 VanDerWaalsContact C-N 3.29Å; S209-V211 PolarHBondContact O-N 3.25Å; V211-I213 PolarHBondContact O-N 3.34Å
212H42.9Very low50.5Low167 Ų167131.8 Ų131.877%0.77372%0.718SS**  trans-22.5104.7167.8-16770.9000112.6P214H212-P214 VanDerWaalsContact O-CD 3.27Å; H212-P214 WeakPolarHBondContact O-CD 3.47Å
213I41.4Very low52.6Low153 Ų153134.8 Ų134.879%0.78572%0.723SS**  trans-70.3117174.1-59.2173.5000106.6V211 S215V211-I213 PolarHBondContact O-N 3.34Å; I213-S215 PolarHBondContact O-N 3.39Å
214P42.6Very low55.1Low100 Ų100131.5 Ų131.565%0.64971%0.706SS**  trans-62.3138.6176.5-15.529.3000109.3H212 Q216H212-P214 VanDerWaalsContact O-CD 3.27Å; H212-P214 WeakPolarHBondContact O-CD 3.47Å; P214-Q216 PolarHBondContact O-N 2.98Å
215S48Very low57.3Low114 Ų114128.3 Ų128.380%0.79769%0.693SS**  trans-43126.6170.7520000110.9I213I213-S215 PolarHBondContact O-N 3.39Å
216Q54.7Low60.1Low131 Ų131126.3 Ų126.361%0.61268%0.676SS**PPolyproline II helixtrans-51.1145179.2-68-159.5-26.500111.3P214 I218P214-Q216 PolarHBondContact O-N 2.98Å; Q216-I218 PolarHBondContact O-N 3.36Å
217P51.8Low62.8Low127 Ų127125.2 Ų125.283%0.82567%0.665SS**PPolyproline II helixtrans-60.8130178.423.6-31.5000110.5R219P217-R219 PolarHBondContact O-N 3.32Å; P217-R219 VanDerWaalsContact O-N 3.17Å
218I57.4Low65.6Low162 Ų162127 Ų12783%0.83166%0.659SS**PPolyproline II helixtrans-56.8118176.1-63.1166.3000108.2Q216 K220Q216-I218 PolarHBondContact O-N 3.36Å; I218-K220 PolarHBondContact O-N 2.73Å
219R70.8Confident68.3Low198 Ų198124.4 Ų124.475%0.74765%0.647SS**PPolyproline II helixtrans-60119.8173.8-178.3179.7175.7-174.2-3108.2P217 T221P217-R219 PolarHBondContact O-N 3.32Å; P217-R219 VanDerWaalsContact O-N 3.17Å; R219-T221 PolarHBondContact O-N 2.84Å
220K78Confident71.3Confident186 Ų186123.8 Ų123.881%0.80963%0.634SS**PPolyproline II helixtrans-67.2129.4176.1-65.7-176.2179.8-179.30109.5I218 T222I218-K220 PolarHBondContact O-N 2.73Å; K220-T222 PolarHBondContact O-N 3.04Å
221T84.1Confident73.9Confident109 Ų109122.6 Ų122.667%0.66963%0.625SS**PPolyproline II helixtrans-57.1131176.7-49.90000110.4R219 D225 I226R219-T221 PolarHBondContact O-N 2.84Å; T221-D225 HydrophobicContact CG2-CB 3.98Å; T221-I226 HydrophobicContact CG2-CG1 4.05Å
222T92.1Very high76.7Confident55 Ų55121.8 Ų121.834%0.33761%0.612SS.*PPolyproline II helixtrans-96.316418070.40000111.8K220 D224 D225 I226K220-T222 PolarHBondContact O-N 3.04Å; T222-D224 PolarHBondContact O-N 3.45Å; T222-D225 WeakPolarHBondContact CB-OD2 3.43Å; T222-D225 PolarHBondContact N-OD2 3.2Å; T222-D225 WeakPolarHBondContact O-CB 3.48Å; T222-D225 PolarHBondContact O-N 2.98Å; T222-D225 PolarHBondContact OG1-N 3.17Å; T222-D225 PolarHBondContact OG1-OD2 3.31Å; T222-I226 PolarHBondContact O-N 3.41Å
223K93.3Very high79.2Confident147 Ų147117.7 Ų117.764%0.63960%0.595SS**Hα-helixtrans-58.2-36174.3-175.1178.3-1781780112.4I226 R227K223-I226 PolarHBondContact O-N 3.24Å; K223-R227 WeakPolarHBondContact O-CG 3.5Å; K223-R227 PolarHBondContact O-N 3.1Å
224D94Very high81.8Confident90 Ų90114.4 Ų114.448%0.48158%0.579SS.*Hα-helixtrans-73-31.9179-67.4-26.6000112.2T222 I226 R227 K228T222-D224 PolarHBondContact O-N 3.45Å; D224-I226 VanDerWaalsContact C-N 3.33Å; D224-R227 PolarHBondContact O-N 3.35Å; D224-R227 IonicContact OD1-CZ 3.78Å; D224-R227 IonicContact OD1-NH1 3.97Å; D224-R227 PolarHBondContact OD1-NH1 3.08Å; D224-K228 WeakPolarHBondContact O-CG 3.46Å; D224-K228 PolarHBondContact O-N 3.05Å
225D91.8Very high84.3Confident52 Ų52112.2 Ų112.228%0.27857%0.569SS.*Hα-helixtrans-63-42.5171.4-58.6-43.2000110.6T221 T222 K228 Q229T221-D225 HydrophobicContact CG2-CB 3.98Å; T222-D225 WeakPolarHBondContact CB-OD2 3.43Å; T222-D225 PolarHBondContact N-OD2 3.2Å; T222-D225 WeakPolarHBondContact O-CB 3.48Å; T222-D225 PolarHBondContact O-N 2.98Å; T222-D225 PolarHBondContact OG1-N 3.17Å; T222-D225 PolarHBondContact OG1-OD2 3.31Å; D225-K228 PolarHBondContact O-N 2.84Å; D225-Q229 WeakPolarHBondContact O-CB 3.34Å; D225-Q229 PolarHBondContact O-N 3.09Å
226I93.7Very high86.6Confident92 Ų92109.4 Ų109.447%0.47254%0.543SS..Hα-helixtrans-63.4-43.6176-63.3172.3000111T221 T222 K223 D224 K228 Q229 I230T221-I226 HydrophobicContact CG2-CG1 4.05Å; T222-I226 PolarHBondContact O-N 3.41Å; K223-I226 PolarHBondContact O-N 3.24Å; D224-I226 VanDerWaalsContact C-N 3.33Å; I226-K228 PolarHBondContact O-N 3.41Å; I226-Q229 WeakPolarHBondContact O-CB 3.42Å; I226-Q229 PolarHBondContact O-N 3.48Å; I226-I230 HydrophobicContact CG2-CD1 4.01Å; I226-I230 HydrophobicContact CG2-CG1 4.49Å; I226-I230 WeakPolarHBondContact O-CG1 3.38Å; I226-I230 PolarHBondContact O-N 3.24Å
227R96Very high88.5Confident130 Ų130109.4 Ų109.449%0.49155%0.547SS..Hα-helixtrans-59.7-46.3176.8-75.1170.5172162-13.2111.9K223 D224 Q229 I230 T231K223-R227 WeakPolarHBondContact O-CG 3.5Å; K223-R227 PolarHBondContact O-N 3.1Å; D224-R227 PolarHBondContact O-N 3.35Å; D224-R227 IonicContact OD1-CZ 3.78Å; D224-R227 IonicContact OD1-NH1 3.97Å; D224-R227 PolarHBondContact OD1-NH1 3.08Å; R227-Q229 VanDerWaalsContact C-N 3.28Å; R227-Q229 PolarHBondContact O-N 3.02Å; R227-I230 PolarHBondContact O-N 3.03Å; R227-T231 PolarHBondContact O-N 3.39Å; R227-T231 PolarHBondContact O-OG1 3.26Å
228K94.4Very high90.6Very high150 Ų150109.8 Ų109.865%0.65254%0.541SS*.Hα-helixtrans-59.9-40.5175.5-73.5175.9-179177.80111.6D224 D225 I226 T231 F232D224-K228 WeakPolarHBondContact O-CG 3.46Å; D224-K228 PolarHBondContact O-N 3.05Å; D225-K228 PolarHBondContact O-N 2.84Å; I226-K228 PolarHBondContact O-N 3.41Å; K228-T231 PolarHBondContact O-N 3.4Å; K228-F232 WeakPolarHBondContact O-CB 3.49Å; K228-F232 PolarHBondContact O-N 3.11Å
229Q94.3Very high92.3Very high102 Ų102108.6 Ų108.648%0.47753%0.527SS..Hα-helixtrans-62.7-43176.3-171.263.424.600111.7D225 I226 R227 F232 L233D225-Q229 WeakPolarHBondContact O-CB 3.34Å; D225-Q229 PolarHBondContact O-N 3.09Å; I226-Q229 WeakPolarHBondContact O-CB 3.42Å; I226-Q229 PolarHBondContact O-N 3.48Å; R227-Q229 VanDerWaalsContact C-N 3.28Å; R227-Q229 PolarHBondContact O-N 3.02Å; Q229-F232 PolarHBondContact O-N 3.19Å; Q229-L233 HydrophobicContact CG-CD1 4.03Å; Q229-L233 HydrophobicContact CG-CG 4.42Å; Q229-L233 WeakPolarHBondContact O-CB 3.36Å; Q229-L233 VanDerWaalsContact O-CG 3.24Å; Q229-L233 WeakPolarHBondContact O-CG 3.29Å; Q229-L233 PolarHBondContact O-N 3.4Å
230I96.3Very high93.4Very high87 Ų87107.2 Ų107.245%0.44653%0.528SS..Hα-helixtrans-62-49176.2-67.7166.4000110.4I226 R227 F232 L233 N234I226-I230 HydrophobicContact CG2-CD1 4.01Å; I226-I230 HydrophobicContact CG2-CG1 4.49Å; I226-I230 WeakPolarHBondContact O-CG1 3.38Å; I226-I230 PolarHBondContact O-N 3.24Å; R227-I230 PolarHBondContact O-N 3.03Å; I230-F232 VanDerWaalsContact C-N 3.3Å; I230-F232 PolarHBondContact O-N 3.26Å; I230-L233 PolarHBondContact O-N 3.22Å; I230-N234 WeakPolarHBondContact O-CB 3.38Å; I230-N234 PolarHBondContact O-N 2.97Å
231T96.8Very high94.2Very high100 Ų100103.2 Ų103.261%0.61352%0.523SS*.Hα-helixtrans-57.3-44.9177.1-58.10000111.6R227 K228 A235R227-T231 PolarHBondContact O-N 3.39Å; R227-T231 PolarHBondContact O-OG1 3.26Å; K228-T231 PolarHBondContact O-N 3.4Å; T231-A235 PolarHBondContact O-N 2.99Å; T231-A235 VanDerWaalsContact O-N 3.11Å
232F95.6Very high94.8Very high105 Ų105103.9 Ų103.946%0.46152%0.521SS..Hα-helixtrans-60.6-48.6177172.4-99.2000111.9K228 Q229 I230 A235 Q236K228-F232 WeakPolarHBondContact O-CB 3.49Å; K228-F232 PolarHBondContact O-N 3.11Å; Q229-F232 PolarHBondContact O-N 3.19Å; I230-F232 VanDerWaalsContact C-N 3.3Å; I230-F232 PolarHBondContact O-N 3.26Å; F232-A235 PolarHBondContact O-N 3.22Å; F232-Q236 HydrophobicContact CD1-CG 4.11Å; F232-Q236 HydrophobicContact CE1-CG 3.71Å; F232-Q236 HydrophobicContact CE2-CG 4.36Å; F232-Q236 HydrophobicContact CZ-CG 3.85Å; F232-Q236 VanDerWaalsContact CZ-OE1 3.26Å; F232-Q236 VanDerWaalsContact O-CG 3.28Å; F232-Q236 WeakPolarHBondContact O-CG 3.33Å; F232-Q236 PolarHBondContact O-N 3.29Å; F232-Q236 PolarHBondContact O-NE2 3.03Å
233L96.3Very high95.1Very high82 Ų82109 Ų10943%0.42954%0.539SS..Hα-helixtrans-64.6-43-178.6-72.7173.3000112.3Q229 I230 A235 Q236 I237Q229-L233 HydrophobicContact CG-CD1 4.03Å; Q229-L233 HydrophobicContact CG-CG 4.42Å; Q229-L233 WeakPolarHBondContact O-CB 3.36Å; Q229-L233 VanDerWaalsContact O-CG 3.24Å; Q229-L233 WeakPolarHBondContact O-CG 3.29Å; Q229-L233 PolarHBondContact O-N 3.4Å; I230-L233 PolarHBondContact O-N 3.22Å; L233-A235 VanDerWaalsContact C-N 3.3Å; L233-A235 PolarHBondContact O-N 3.42Å; L233-Q236 WeakPolarHBondContact O-CA 3.35Å; L233-Q236 WeakPolarHBondContact O-CB 3.42Å; L233-Q236 PolarHBondContact O-N 3.11Å; L233-I237 WeakPolarHBondContact O-CG1 3.46Å; L233-I237 PolarHBondContact O-N 3.32Å
234N96.8Very high95.3Very high84 Ų84108.1 Ų108.145%0.44954%0.539SS..Hα-helixtrans-57.6-47174.5-72.5-12000110.5I230 Q236 I237 D238I230-N234 WeakPolarHBondContact O-CB 3.38Å; I230-N234 PolarHBondContact O-N 2.97Å; N234-Q236 PolarHBondContact O-N 2.9Å; N234-I237 PolarHBondContact O-N 3.23Å; N234-I237 VanDerWaalsContact O-N 3.08Å; N234-D238 PolarHBondContact O-N 2.9Å; N234-D238 VanDerWaalsContact O-N 3.17Å
235A95.3Very high95.5Very high53 Ų53107 Ų10744%0.43854%0.537SS..Hα-helixtrans-62.9-25.2174.700000113.6T231 F232 L233 R239T231-A235 PolarHBondContact O-N 2.99Å; T231-A235 VanDerWaalsContact O-N 3.11Å; F232-A235 PolarHBondContact O-N 3.22Å; L233-A235 VanDerWaalsContact C-N 3.3Å; L233-A235 PolarHBondContact O-N 3.42Å; A235-R239 WeakPolarHBondContact O-CG 3.4Å
236Q95.4Very high95.8Very high55 Ų55110 Ų11026%0.25755%0.548SS..Hα-helixtrans-74.9-36.4173.5-55.3-46.8-99.900112F232 L233 N234 D238 R239F232-Q236 HydrophobicContact CD1-CG 4.11Å; F232-Q236 HydrophobicContact CE1-CG 3.71Å; F232-Q236 HydrophobicContact CE2-CG 4.36Å; F232-Q236 HydrophobicContact CZ-CG 3.85Å; F232-Q236 VanDerWaalsContact CZ-OE1 3.26Å; F232-Q236 VanDerWaalsContact O-CG 3.28Å; F232-Q236 WeakPolarHBondContact O-CG 3.33Å; F232-Q236 PolarHBondContact O-N 3.29Å; F232-Q236 PolarHBondContact O-NE2 3.03Å; L233-Q236 WeakPolarHBondContact O-CA 3.35Å; L233-Q236 WeakPolarHBondContact O-CB 3.42Å; L233-Q236 PolarHBondContact O-N 3.11Å; N234-Q236 PolarHBondContact O-N 2.9Å; Q236-D238 VanDerWaalsContact C-N 3.34Å; Q236-R239 PolarHBondContact O-N 3.38Å
237I94.8Very high96Very high132 Ų132108 Ų10868%0.67754%0.54SS*.Hα-helixtrans-67.1-38.4-179.2-68.3166.6000110.5L233 N234 R239L233-I237 WeakPolarHBondContact O-CG1 3.46Å; L233-I237 PolarHBondContact O-N 3.32Å; N234-I237 PolarHBondContact O-N 3.23Å; N234-I237 VanDerWaalsContact O-N 3.08Å; I237-R239 PolarHBondContact O-N 3.38Å
238D95.1Very high96.1Very high134 Ų134103.5 Ų103.572%0.71753%0.531SS*.THydrogen-bonded Turntrans-71.6-10.4-179-64.1-25.4000113.4N234 Q236 H240N234-D238 PolarHBondContact O-N 2.9Å; N234-D238 VanDerWaalsContact O-N 3.17Å; Q236-D238 VanDerWaalsContact C-N 3.34Å; D238-H240 PolarHBondContact O-N 2.89Å
239R94.2Very high96.3Very high138 Ų138101.2 Ų101.252%0.52152%0.522SS..SBendtrans-75.2119.7178.4-70.4-170.4-52.9-137.3-2.7111.1A235 Q236 I237 C241A235-R239 WeakPolarHBondContact O-CG 3.4Å; Q236-R239 PolarHBondContact O-N 3.38Å; I237-R239 PolarHBondContact O-N 3.38Å; R239-C241 PolarHBondContact O-N 3.17Å; R239-C241 PolarHBondContact O-SG 3.08Å; R239-C241 VanDerWaalsContact O-SG 3.35Å
240H94.3Very high96.5Very high169 Ų169100.1 Ų100.178%0.78253%0.526SS*.  trans-60.4119.5171.8-175.2-85.3000110.8D238D238-H240 PolarHBondContact O-N 2.89Å
241C94.6Very high96.6Very high102 Ų102100.9 Ų100.969%0.68953%0.531SS*.  trans-111.9140.5179.9-67.70000110.6R239R239-C241 PolarHBondContact O-N 3.17Å; R239-C241 PolarHBondContact O-SG 3.08Å; R239-C241 VanDerWaalsContact O-SG 3.35Å
242L95.4Very high96.7Very high122 Ų122100.7 Ų100.764%0.63953%0.525SS*.  trans-90.1152.6175.1-67171.8000110.8V247L242-V247 HydrophobicContact CB-CG2 3.75Å; L242-V247 HydrophobicContact CD1-CG2 4.49Å
243K98Very high96.8Very high163 Ų16398.2 Ų98.271%0.70952%0.524SS*.  trans-62.4140.5171.4-67.8-175.3178.9-178.90109.9S245 K246 V247K243-S245 PolarHBondContact O-N 2.64Å; K243-K246 HydrophobicContact CB-CG 4.5Å; K243-K246 PolarHBondContact O-N 2.9Å; K243-V247 PolarHBondContact O-N 3.38Å; K243-V247 VanDerWaalsContact O-N 3.08Å
244M97.9Very high96.9Very high129 Ų129100.1 Ų100.164%0.63553%0.526SS*.Hα-helixtrans-58-36-179.1-16861.7-120.900112.8K246 V247 A248M244-K246 VanDerWaalsContact C-N 3.32Å; M244-K246 PolarHBondContact O-N 2.96Å; M244-V247 HydrophobicContact CE-CB 3.82Å; M244-V247 HydrophobicContact CE-CG1 3.77Å; M244-V247 PolarHBondContact O-N 3.2Å; M244-A248 HydrophobicContact CE-CB 4.25Å; M244-A248 WeakPolarHBondContact O-CB 3.37Å; M244-A248 PolarHBondContact O-N 2.93Å
245S98.1Very high96.9Very high65 Ų65100.2 Ų100.246%0.45553%0.53SS..Hα-helixtrans-59-43174.554.30000112.4K243 A248 E249K243-S245 PolarHBondContact O-N 2.64Å; S245-A248 PolarHBondContact O-N 3.41Å; S245-E249 WeakPolarHBondContact O-CB 3.48Å; S245-E249 VanDerWaalsContact O-CG 3.24Å; S245-E249 WeakPolarHBondContact O-CG 3.47Å; S245-E249 PolarHBondContact O-N 3.19Å
246K98.2Very high97Very high115 Ų115103.9 Ų103.950%0.554%0.538SS..Hα-helixtrans-69.1-37177.8-67.3-52.5-176.1-171.50113.1K243 M244 E249 S250K243-K246 HydrophobicContact CB-CG 4.5Å; K243-K246 PolarHBondContact O-N 2.9Å; M244-K246 VanDerWaalsContact C-N 3.32Å; M244-K246 PolarHBondContact O-N 2.96Å; K246-E249 VanDerWaalsContact CD-OE2 3.31Å; K246-E249 WeakPolarHBondContact CD-OE2 3.22Å; K246-E249 IonicContact NZ-OE1 3.68Å; K246-E249 IonicContact NZ-OE2 3.61Å; K246-E249 PolarHBondContact NZ-OE2 3.4Å; K246-S250 WeakPolarHBondContact O-CB 3.49Å; K246-S250 PolarHBondContact O-N 3.48Å
247V98.3Very high97.1Very high50 Ų50104.9 Ų104.930%0.30354%0.542SS..Hα-helixtrans-64.2-47.6173.3176.70000110.3L242 K243 M244 S250 L251L242-V247 HydrophobicContact CB-CG2 3.75Å; L242-V247 HydrophobicContact CD1-CG2 4.49Å; K243-V247 PolarHBondContact O-N 3.38Å; K243-V247 VanDerWaalsContact O-N 3.08Å; M244-V247 HydrophobicContact CE-CB 3.82Å; M244-V247 HydrophobicContact CE-CG1 3.77Å; M244-V247 PolarHBondContact O-N 3.2Å; V247-S250 PolarHBondContact O-N 2.98Å; V247-L251 HydrophobicContact CG1-CD1 3.9Å; V247-L251 HydrophobicContact CG1-CG 4.39Å; V247-L251 WeakPolarHBondContact O-CG 3.4Å; V247-L251 PolarHBondContact O-N 3.29Å
248A98.5Very high97.3Very high36 Ų3699.9 Ų99.930%0.29852%0.515SS..Hα-helixtrans-62.4-49.1179.300000112.1M244 S245 S250 L251 I252M244-A248 HydrophobicContact CE-CB 4.25Å; M244-A248 WeakPolarHBondContact O-CB 3.37Å; M244-A248 PolarHBondContact O-N 2.93Å; S245-A248 PolarHBondContact O-N 3.41Å; A248-S250 VanDerWaalsContact C-N 3.28Å; A248-S250 PolarHBondContact O-N 2.96Å; A248-L251 PolarHBondContact O-N 3.45Å; A248-I252 WeakPolarHBondContact O-CB 3.08Å; A248-I252 VanDerWaalsContact O-CG1 3.29Å; A248-I252 WeakPolarHBondContact O-CG1 3.3Å; A248-I252 PolarHBondContact O-N 3.36Å
249E98.4Very high97.4Very high102 Ų10295.9 Ų95.948%0.47750%0.495SS..Hα-helixtrans-53.4-46.2175-76.5167.3-154.800111.3S245 K246 A253S245-E249 WeakPolarHBondContact O-CB 3.48Å; S245-E249 VanDerWaalsContact O-CG 3.24Å; S245-E249 WeakPolarHBondContact O-CG 3.47Å; S245-E249 PolarHBondContact O-N 3.19Å; K246-E249 VanDerWaalsContact CD-OE2 3.31Å; K246-E249 WeakPolarHBondContact CD-OE2 3.22Å; K246-E249 IonicContact NZ-OE1 3.68Å; K246-E249 IonicContact NZ-OE2 3.61Å; K246-E249 PolarHBondContact NZ-OE2 3.4Å; E249-A253 WeakPolarHBondContact O-CB 3.4Å; E249-A253 PolarHBondContact O-N 3.17Å
250S98.1Very high97.5Very high79 Ų7994.2 Ų94.255%0.55249%0.494SS*.Hα-helixtrans-66.9-39.8179.9-174.40000113.2K246 V247 A248 Y254K246-S250 WeakPolarHBondContact O-CB 3.49Å; K246-S250 PolarHBondContact O-N 3.48Å; V247-S250 PolarHBondContact O-N 2.98Å; A248-S250 VanDerWaalsContact C-N 3.28Å; A248-S250 PolarHBondContact O-N 2.96Å; S250-Y254 WeakPolarHBondContact O-CB 3.41Å; S250-Y254 PolarHBondContact O-N 3.18Å
251L98.4Very high97.5Very high104 Ų10488.5 Ų88.555%0.54547%0.465SS..Hα-helixtrans-70.5-39.4179.8-71.1174.2000111.7V247 A248 T255V247-L251 HydrophobicContact CG1-CD1 3.9Å; V247-L251 HydrophobicContact CG1-CG 4.39Å; V247-L251 WeakPolarHBondContact O-CG 3.4Å; V247-L251 PolarHBondContact O-N 3.29Å; A248-L251 PolarHBondContact O-N 3.45Å; L251-T255 WeakPolarHBondContact O-CB 3.33Å; L251-T255 PolarHBondContact O-N 2.82Å; L251-T255 PolarHBondContact O-OG1 3.48Å
252I98.4Very high97.6Very high95 Ų9586.3 Ų86.349%0.48745%0.447SS..Hα-helixtrans-62.9-53.3175.1-68.4166.4000109.4A248 Y254 T255 E256A248-I252 WeakPolarHBondContact O-CB 3.08Å; A248-I252 VanDerWaalsContact O-CG1 3.29Å; A248-I252 WeakPolarHBondContact O-CG1 3.3Å; A248-I252 PolarHBondContact O-N 3.36Å; I252-Y254 VanDerWaalsContact C-N 3.3Å; I252-Y254 PolarHBondContact O-N 3.32Å; I252-T255 PolarHBondContact O-N 3.33Å; I252-E256 HydrophobicContact CG2-CG 4.21Å; I252-E256 WeakPolarHBondContact CG2-OE1 3.45Å; I252-E256 WeakPolarHBondContact O-CG 3.33Å; I252-E256 PolarHBondContact O-N 3.35Å
253A98.3Very high97.6Very high53 Ų5383.6 Ų83.644%0.43844%0.437SS..Hα-helixtrans-59.6-40.1-179.600000112.4E249 Q257E249-A253 WeakPolarHBondContact O-CB 3.4Å; E249-A253 PolarHBondContact O-N 3.17Å; A253-Q257 WeakPolarHBondContact O-CB 3.02Å; A253-Q257 PolarHBondContact O-N 3.02Å
254Y98Very high97.5Very high123 Ų12385.1 Ų85.148%0.48244%0.444SS..Hα-helixtrans-61.9-47.4173.2-176.3-91.4000110.9S250 I252 E256 Q257 Y258S250-Y254 WeakPolarHBondContact O-CB 3.41Å; S250-Y254 PolarHBondContact O-N 3.18Å; I252-Y254 VanDerWaalsContact C-N 3.3Å; I252-Y254 PolarHBondContact O-N 3.32Å; Y254-E256 PolarHBondContact O-N 3.01Å; Y254-Q257 WeakPolarHBondContact O-CB 3.24Å; Y254-Q257 PolarHBondContact O-N 3.24Å; Y254-Y258 HydrophobicContact CD1-CD2 4.34Å; Y254-Y258 HydrophobicContact CD2-CD2 4.29Å; Y254-Y258 AromaticContact CD2-CE2 3.83Å; Y254-Y258 HydrophobicContact CD2-CE2 3.83Å; Y254-Y258 HydrophobicContact CE1-CD2 4.07Å; Y254-Y258 HydrophobicContact CE1-CE2 4.2Å; Y254-Y258 HydrophobicContact CE2-CD2 4.02Å; Y254-Y258 AromaticContact CE2-CE2 3.35Å; Y254-Y258 HydrophobicContact CE2-CE2 3.35Å; Y254-Y258 AromaticContact CE2-CZ 3.99Å; Y254-Y258 HydrophobicContact CG-CD2 4.44Å; Y254-Y258 HydrophobicContact CG-CE2 4.43Å; Y254-Y258 AromaticContact CZ-CD2 3.89Å; Y254-Y258 AromaticContact CZ-CE2 3.56Å; Y254-Y258 VanDerWaalsContact O-CD2 3.28Å; Y254-Y258 WeakPolarHBondContact O-CD2 3.4Å; Y254-Y258 PolarHBondContact O-N 2.93Å
255T98.2Very high97.4Very high85 Ų8583.9 Ų83.952%0.52144%0.439SS..Hα-helixtrans-62.6-45.4-179.7-54.20000111.7L251 I252 Q257 Y258 V259L251-T255 WeakPolarHBondContact O-CB 3.33Å; L251-T255 PolarHBondContact O-N 2.82Å; L251-T255 PolarHBondContact O-OG1 3.48Å; I252-T255 PolarHBondContact O-N 3.33Å; T255-Q257 VanDerWaalsContact C-N 3.28Å; T255-Q257 PolarHBondContact O-N 3.04Å; T255-Y258 PolarHBondContact O-N 2.95Å; T255-Y258 VanDerWaalsContact O-N 3.16Å; T255-V259 PolarHBondContact O-N 2.99Å
256E97.6Very high97.3Very high130 Ų13083.2 Ų83.261%0.60743%0.432SS*.Hα-helixtrans-59.8-37.6176.4-72175.7168.900112.1I252 Y254 Y258 V259I252-E256 HydrophobicContact CG2-CG 4.21Å; I252-E256 WeakPolarHBondContact CG2-OE1 3.45Å; I252-E256 WeakPolarHBondContact O-CG 3.33Å; I252-E256 PolarHBondContact O-N 3.35Å; Y254-E256 PolarHBondContact O-N 3.01Å; E256-Y258 VanDerWaalsContact C-N 3.28Å; E256-Y258 PolarHBondContact O-N 3.32Å; E256-V259 VanDerWaalsContact O-CG1 3.29Å; E256-V259 WeakPolarHBondContact O-CG1 3.38Å; E256-V259 PolarHBondContact O-N 3.37Å
257Q97.6Very high97.1Very high76 Ų7683 Ų8336%0.35544%0.442SS..Hα-helixtrans-64.3-31.4178.3-175.4173.732.600113A253 Y254 T255 F300A253-Q257 WeakPolarHBondContact O-CB 3.02Å; A253-Q257 PolarHBondContact O-N 3.02Å; Y254-Q257 WeakPolarHBondContact O-CB 3.24Å; Y254-Q257 PolarHBondContact O-N 3.24Å; T255-Q257 VanDerWaalsContact C-N 3.28Å; T255-Q257 PolarHBondContact O-N 3.04Å; Q257-F300 HydrophobicContact CG-CD1 4.09Å; Q257-F300 HydrophobicContact CG-CD2 3.73Å; Q257-F300 HydrophobicContact CG-CE1 4.09Å; Q257-F300 HydrophobicContact CG-CE2 3.73Å; Q257-F300 HydrophobicContact CG-CG 3.89Å; Q257-F300 HydrophobicContact CG-CZ 3.9Å; Q257-F300 VanDerWaalsContact NE2-CD1 3.27Å; Q257-F300 VanDerWaalsContact NE2-CG 3.27Å; Q257-F300 VanDerWaalsContact O-CE2 3.3Å; Q257-F300 WeakPolarHBondContact O-CE2 3.26Å
258Y97.5Very high96.7Very high27 Ų2781.7 Ų81.711%0.10644%0.437CS..Hα-helixtrans-103-0.7-177.5-71.5-97000114Y254 T255 E256 E260 Y261 D262 R297 F300 E304Y254-Y258 HydrophobicContact CD1-CD2 4.34Å; Y254-Y258 HydrophobicContact CD2-CD2 4.29Å; Y254-Y258 AromaticContact CD2-CE2 3.83Å; Y254-Y258 HydrophobicContact CD2-CE2 3.83Å; Y254-Y258 HydrophobicContact CE1-CD2 4.07Å; Y254-Y258 HydrophobicContact CE1-CE2 4.2Å; Y254-Y258 HydrophobicContact CE2-CD2 4.02Å; Y254-Y258 AromaticContact CE2-CE2 3.35Å; Y254-Y258 HydrophobicContact CE2-CE2 3.35Å; Y254-Y258 AromaticContact CE2-CZ 3.99Å; Y254-Y258 HydrophobicContact CG-CD2 4.44Å; Y254-Y258 HydrophobicContact CG-CE2 4.43Å; Y254-Y258 AromaticContact CZ-CD2 3.89Å; Y254-Y258 AromaticContact CZ-CE2 3.56Å; Y254-Y258 VanDerWaalsContact O-CD2 3.28Å; Y254-Y258 WeakPolarHBondContact O-CD2 3.4Å; Y254-Y258 PolarHBondContact O-N 2.93Å; T255-Y258 PolarHBondContact O-N 2.95Å; T255-Y258 VanDerWaalsContact O-N 3.16Å; E256-Y258 VanDerWaalsContact C-N 3.28Å; E256-Y258 PolarHBondContact O-N 3.32Å; Y258-E260 VanDerWaalsContact C-N 3.25Å; Y258-E260 PolarHBondContact O-N 3.09Å; Y258-Y261 CarbonylContact O-C 3.56Å; Y258-Y261 WeakPolarHBondContact O-CA 3.45Å; Y258-Y261 WeakPolarHBondContact O-CB 3.25Å; Y258-Y261 PolarHBondContact O-N 3.43Å; Y258-D262 PolarHBondContact O-N 2.75Å; Y258-R297 HydrophobicContact CE1-CG 4.33Å; Y258-F300 HydrophobicContact CD1-CD2 4.29Å; Y258-F300 HydrophobicContact CD1-CE2 4.42Å; Y258-F300 HydrophobicContact CD2-CD2 4.48Å; Y258-F300 AromaticContact CE1-CD2 3.8Å; Y258-F300 HydrophobicContact CE1-CD2 3.8Å; Y258-F300 HydrophobicContact CE1-CE2 4.35Å; Y258-F300 HydrophobicContact CE2-CD2 4Å; Y258-F300 AromaticContact CZ-CD2 3.65Å; Y258-E304 HydrophobicContact CE1-CG 4.46Å; Y258-E304 VanDerWaalsContact OH-CD 3.31Å; Y258-E304 WeakPolarHBondContact OH-CG 3.27Å
259V97.4Very high96.2Very high50 Ų5086.8 Ų86.830%0.30345%0.454SS..G310 helixtrans-59.4-34.5-176.376.30000113.2T255 E256 Y261 D262 I265 T266T255-V259 PolarHBondContact O-N 2.99Å; E256-V259 VanDerWaalsContact O-CG1 3.29Å; E256-V259 WeakPolarHBondContact O-CG1 3.38Å; E256-V259 PolarHBondContact O-N 3.37Å; V259-Y261 PolarHBondContact O-N 2.97Å; V259-D262 PolarHBondContact O-N 2.95Å; V259-I265 HydrophobicContact CG2-CB 4.27Å; V259-I265 HydrophobicContact CG2-CD1 4.12Å; V259-I265 HydrophobicContact CG2-CG2 3.64Å; V259-T266 WeakPolarHBondContact O-CB 3.38Å; V259-T266 PolarHBondContact O-OG1 3Å
260E95.5Very high95.9Very high103 Ų10385.6 Ų85.648%0.48146%0.455SS..G310 helixtrans-68.4-15.7175.4-65.5-174.9162.100112.9Y258 K296Y258-E260 VanDerWaalsContact C-N 3.25Å; Y258-E260 PolarHBondContact O-N 3.09Å; E260-K296 IonicContact OE2-NZ 3.62Å; E260-K296 PolarHBondContact OE2-NZ 3.17Å
261Y94.9Very high95.8Very high49 Ų4983.2 Ų83.219%0.19244%0.439CS..G310 helixtrans-107.5-1-177.9-59.2-96.8000112.6Y258 V259 P263 Q293 R297 F300Y258-Y261 CarbonylContact O-C 3.56Å; Y258-Y261 WeakPolarHBondContact O-CA 3.45Å; Y258-Y261 WeakPolarHBondContact O-CB 3.25Å; Y258-Y261 PolarHBondContact O-N 3.43Å; V259-Y261 PolarHBondContact O-N 2.97Å; Y261-P263 WeakPolarHBondContact O-CD 3.43Å; Y261-Q293 HydrophobicContact CE1-CB 4.01Å; Y261-Q293 WeakPolarHBondContact CE1-O 3.39Å; Y261-Q293 PolarHBondContact OH-O 3.26Å; Y261-Q293 VanDerWaalsContact OH-O 3.12Å; Y261-R297 HydrophobicContact CE1-CB 3.88Å; Y261-R297 HydrophobicContact CE1-CG 4.42Å; Y261-F300 HydrophobicContact CD2-CE2 4.03Å; Y261-F300 HydrophobicContact CD2-CZ 4.46Å; Y261-F300 AromaticContact CE2-CE2 3.43Å; Y261-F300 HydrophobicContact CE2-CE2 3.43Å; Y261-F300 VanDerWaalsContact CE2-CE2 3.43Å; Y261-F300 AromaticContact CE2-CZ 3.51Å; Y261-F300 HydrophobicContact CE2-CZ 3.51Å; Y261-F300 AromaticContact CZ-CE2 3.95Å; Y261-F300 AromaticContact CZ-CZ 3.94Å
262D96.7Very high95.6Very high57 Ų5779.8 Ų79.831%0.30542%0.421SS..  trans-90.1110.2177.8-170-32.3000109.9Y258 V259 F264 I265 T266Y258-D262 PolarHBondContact O-N 2.75Å; V259-D262 PolarHBondContact O-N 2.95Å; D262-F264 PolarHBondContact O-N 3.31Å; D262-F264 VanDerWaalsContact O-N 3.14Å; D262-F264 WeakPolarHBondContact OD1-CB 3.43Å; D262-F264 PolarHBondContact OD1-N 3Å; D262-I265 HydrophobicContact CB-CB 4.33Å; D262-I265 HydrophobicContact CB-CD1 4.33Å; D262-I265 HydrophobicContact CB-CG1 4.33Å; D262-I265 PolarHBondContact O-N 3.03Å; D262-I265 VanDerWaalsContact O-N 3.07Å; D262-T266 PolarHBondContact O-N 2.84Å; D262-T266 VanDerWaalsContact O-O 3.11Å
263P94.8Very high95.6Very high64 Ų6475.6 Ų75.642%0.41640%0.4SS..THydrogen-bonded Turntrans-68.7-10.6-176.630.2-36.5000114Y261 T266 A268Y261-P263 WeakPolarHBondContact O-CD 3.43Å; P263-T266 WeakPolarHBondContact CA-O 3.48Å; P263-A268 HydrophobicContact CB-CB 4.34Å
264F96.6Very high95.5Very high195 Ų19582.5 Ų82.586%0.85542%0.415SS*.THydrogen-bonded Turntrans-85.1-23172.9-65.8-74.5000112.9D262D262-F264 PolarHBondContact O-N 3.31Å; D262-F264 VanDerWaalsContact O-N 3.14Å; D262-F264 WeakPolarHBondContact OD1-CB 3.43Å; D262-F264 PolarHBondContact OD1-N 3Å
265I96.6Very high95.4Very high104 Ų10483.5 Ų83.553%0.53343%0.427SS..THydrogen-bonded Turntrans-104.9-49.3-177.8-56.7177000110.3V259 D262V259-I265 HydrophobicContact CG2-CB 4.27Å; V259-I265 HydrophobicContact CG2-CD1 4.12Å; V259-I265 HydrophobicContact CG2-CG2 3.64Å; D262-I265 HydrophobicContact CB-CB 4.33Å; D262-I265 HydrophobicContact CB-CD1 4.33Å; D262-I265 HydrophobicContact CB-CG1 4.33Å; D262-I265 PolarHBondContact O-N 3.03Å; D262-I265 VanDerWaalsContact O-N 3.07Å
266T95.5Very high95.3Very high50 Ų5082 Ų8231%0.30742%0.42SS..SBendtrans-110.2125.3-178.6-59.50000108.9V259 D262 P263 A268V259-T266 WeakPolarHBondContact O-CB 3.38Å; V259-T266 PolarHBondContact O-OG1 3Å; D262-T266 PolarHBondContact O-N 2.84Å; D262-T266 VanDerWaalsContact O-O 3.11Å; P263-T266 WeakPolarHBondContact CA-O 3.48Å; T266-A268 PolarHBondContact O-N 3.17Å
267P93.4Very high95.3Very high111 Ų11182.9 Ų82.972%0.72143%0.429SS*.PPolyproline II helixtrans-55.6126.9179.1-2634.5000112
268A90.5Very high95.2Very high23 Ų2382 Ų8219%0.1943%0.427CS..PPolyproline II helixtrans-69.1137.617700000111.1P263 T266 P270 S271 L281P263-A268 HydrophobicContact CB-CB 4.34Å; T266-A268 PolarHBondContact O-N 3.17Å; A268-P270 CarbonylContact O-C 3.58Å; A268-S271 CarbonylContact O-C 3.56Å; A268-S271 WeakPolarHBondContact O-CA 3.33Å; A268-S271 PolarHBondContact O-N 2.93Å; A268-L281 HydrophobicContact CB-CD2 3.68Å
269E88.8Confident95.2Very high142 Ų14285.2 Ų85.266%0.66445%0.445SS*.SBendtrans-101.6128.3177.5-66.8-171.9172.600111.1L281E269-L281 VanDerWaalsContact O-CD1 3.22Å; E269-L281 WeakPolarHBondContact O-CD1 3.46Å
270P91.4Very high95.1Very high77 Ų7785.6 Ų85.650%0.545%0.447SS..SBendcis-81.2-30.611.730.2-35000114.6A268 T280A268-P270 CarbonylContact O-C 3.58Å; P270-T280 HydrophobicContact CG-CG2 4Å
271S94.8Very high95.1Very high29 Ų2981.7 Ų81.720%0.20343%0.429CS..  trans-161160.8173.663.80000110.2A268 P273 S276A268-S271 CarbonylContact O-C 3.56Å; A268-S271 WeakPolarHBondContact O-CA 3.33Å; A268-S271 PolarHBondContact O-N 2.93Å; S271-P273 WeakPolarHBondContact O-CD 3.47Å; S271-S276 WeakPolarHBondContact OG-CB 3.39Å; S271-S276 PolarHBondContact OG-OG 3.5Å
272N95.8Very high95.1Very high32 Ų3283.9 Ų83.917%0.17144%0.437CS..  trans-76.2116.6172.8-176-24.7000109.7W274 I275 S276N272-W274 PolarHBondContact O-N 2.97Å; N272-W274 WeakPolarHBondContact OD1-CB 3.25Å; N272-W274 VanDerWaalsContact OD1-CD1 3.25Å; N272-W274 PolarHBondContact OD1-N 3.26Å; N272-W274 VanDerWaalsContact OD1-N 3.09Å; N272-I275 HydrophobicContact CB-CB 4.46Å; N272-I275 HydrophobicContact CB-CD1 4.09Å; N272-I275 HydrophobicContact CB-CG1 4.24Å; N272-I275 PolarHBondContact O-N 3.25Å; N272-S276 PolarHBondContact O-N 3.29Å; N272-S276 PolarHBondContact O-OG 2.84Å; N272-S276 VanDerWaalsContact O-OG 3.05Å
273P97Very high95Very high7 Ų785.9 Ų85.95%0.04545%0.448CS..Hα-helixtrans-57.5-27.1-175.6-27.436.3000114.3S271 I275 D277 D278 L281 W282S271-P273 WeakPolarHBondContact O-CD 3.47Å; P273-I275 VanDerWaalsContact C-N 3.26Å; P273-I275 PolarHBondContact O-N 3.36Å; P273-D277 WeakPolarHBondContact O-CA 3.29Å; P273-D277 PolarHBondContact O-N 3.47Å; P273-D278 WeakPolarHBondContact CA-O 3.49Å; P273-D278 WeakPolarHBondContact CB-O 3.24Å; P273-D278 WeakPolarHBondContact CG-O 3.36Å; P273-L281 HydrophobicContact CG-CB 3.94Å; P273-L281 HydrophobicContact CG-CD2 4.25Å; P273-W282 HydrophobicContact CB-CD2 4.2Å; P273-W282 HydrophobicContact CB-CE3 4.38Å; P273-W282 HydrophobicContact CB-CH2 3.98Å; P273-W282 HydrophobicContact CB-CZ2 3.77Å; P273-W282 HydrophobicContact CB-CZ3 4.28Å; P273-W282 HydrophobicContact CG-CD2 4.01Å; P273-W282 HydrophobicContact CG-CG 4.27Å; P273-W282 HydrophobicContact CG-CZ2 4.14Å
274W96.8Very high94.8Very high199 Ų19985.3 Ų85.375%0.75444%0.441SS*.Hα-helixtrans-74.3-14.4178.2-58108.9000114N272 W282N272-W274 PolarHBondContact O-N 2.97Å; N272-W274 WeakPolarHBondContact OD1-CB 3.25Å; N272-W274 VanDerWaalsContact OD1-CD1 3.25Å; N272-W274 PolarHBondContact OD1-N 3.26Å; N272-W274 VanDerWaalsContact OD1-N 3.09Å; W274-W282 HydrophobicContact CD2-CZ2 4.42Å; W274-W282 AromaticContact CE2-CZ2 3.73Å; W274-W282 HydrophobicContact CH2-CH2 4.2Å; W274-W282 HydrophobicContact CH2-CZ2 4.45Å; W274-W282 AromaticContact CZ2-CH2 3.96Å; W274-W282 HydrophobicContact CZ2-CH2 3.96Å; W274-W282 AromaticContact CZ2-CZ2 3.76Å; W274-W282 HydrophobicContact CZ2-CZ2 3.76Å; W274-W282 AromaticContact NE1-CZ2 3.84Å
275I96.6Very high94.6Very high144 Ų14481.2 Ų81.274%0.73842%0.424SS*.Hα-helixtrans-108.2-38.6-179-57.9177.4000110.5N272 P273N272-I275 HydrophobicContact CB-CB 4.46Å; N272-I275 HydrophobicContact CB-CD1 4.09Å; N272-I275 HydrophobicContact CB-CG1 4.24Å; N272-I275 PolarHBondContact O-N 3.25Å; P273-I275 VanDerWaalsContact C-N 3.26Å; P273-I275 PolarHBondContact O-N 3.36Å
276S96.5Very high94.3Very high52 Ų5284 Ų8436%0.36444%0.437SS..Hα-helixtrans-97.3-11.6-174.558.90000114.5S271 N272 D278S271-S276 WeakPolarHBondContact OG-CB 3.39Å; S271-S276 PolarHBondContact OG-OG 3.5Å; N272-S276 PolarHBondContact O-N 3.29Å; N272-S276 PolarHBondContact O-OG 2.84Å; N272-S276 VanDerWaalsContact O-OG 3.05Å; S276-D278 PolarHBondContact O-N 2.85Å; S276-D278 VanDerWaalsContact O-N 3.15Å; S276-D278 PolarHBondContact OG-N 2.78Å
277D96.4Very high94.2Very high149 Ų14983.6 Ų83.680%0.79744%0.436SS*.  trans55.220.8-168-61.8-36.1000113.6P273P273-D277 WeakPolarHBondContact O-CA 3.29Å; P273-D277 PolarHBondContact O-N 3.47Å
278D96.4Very high94.1Very high59 Ų5987.2 Ų87.232%0.31644%0.441SS..  trans-103.1112.7176.2178.810000110.8P273 S276 T280P273-D278 WeakPolarHBondContact CA-O 3.49Å; P273-D278 WeakPolarHBondContact CB-O 3.24Å; P273-D278 WeakPolarHBondContact CG-O 3.36Å; S276-D278 PolarHBondContact O-N 2.85Å; S276-D278 VanDerWaalsContact O-N 3.15Å; S276-D278 PolarHBondContact OG-N 2.78Å; D278-T280 PolarHBondContact O-N 2.94Å; D278-T280 WeakPolarHBondContact OD1-CB 3.15Å; D278-T280 PolarHBondContact OD1-N 3.21Å; D278-T280 PolarHBondContact OD1-OG1 3.32Å; D278-T280 PolarHBondContact OD2-OG1 3.16Å
279I97Very high94.1Very high94 Ų9493.9 Ų93.948%0.48247%0.468SS..THydrogen-bonded Turntrans-79.3-0.7-178.564.2169.3000114.1L281 W282 D283I279-L281 PolarHBondContact O-N 2.66Å; I279-L281 VanDerWaalsContact O-N 3.08Å; I279-W282 HydrophobicContact CB-CE3 4.07Å; I279-W282 HydrophobicContact CG2-CE3 3.84Å; I279-W282 HydrophobicContact CG2-CZ3 3.89Å; I279-W282 PolarHBondContact O-N 3.15Å; I279-D283 PolarHBondContact O-N 3.23Å
280T96Very high94.3Very high57 Ų5788.6 Ų88.635%0.3545%0.446SS..Hα-helixtrans-52.9-35.3-176.1-630000112.8P270 D278 D283 I284P270-T280 HydrophobicContact CG-CG2 4Å; D278-T280 PolarHBondContact O-N 2.94Å; D278-T280 WeakPolarHBondContact OD1-CB 3.15Å; D278-T280 PolarHBondContact OD1-N 3.21Å; D278-T280 PolarHBondContact OD1-OG1 3.32Å; D278-T280 PolarHBondContact OD2-OG1 3.16Å; T280-D283 PolarHBondContact O-N 2.97Å; T280-I284 HydrophobicContact CG2-CD1 3.84Å; T280-I284 HydrophobicContact CG2-CG1 4.38Å; T280-I284 VanDerWaalsContact O-CG1 3.25Å; T280-I284 WeakPolarHBondContact O-CG1 3.31Å; T280-I284 PolarHBondContact O-N 3.33Å
281L93.8Very high94.3Very high22 Ų2287 Ų8712%0.11544%0.436CS..Hα-helixtrans-59.5-48.3175.7176.165.2000111.9A268 E269 P273 I279 D283 I284 E285A268-L281 HydrophobicContact CB-CD2 3.68Å; E269-L281 VanDerWaalsContact O-CD1 3.22Å; E269-L281 WeakPolarHBondContact O-CD1 3.46Å; P273-L281 HydrophobicContact CG-CB 3.94Å; P273-L281 HydrophobicContact CG-CD2 4.25Å; I279-L281 PolarHBondContact O-N 2.66Å; I279-L281 VanDerWaalsContact O-N 3.08Å; L281-D283 VanDerWaalsContact C-N 3.32Å; L281-D283 PolarHBondContact O-N 3.05Å; L281-I284 WeakPolarHBondContact O-CB 3.39Å; L281-I284 PolarHBondContact O-N 2.92Å; L281-E285 HydrophobicContact CD1-CG 4.4Å; L281-E285 WeakPolarHBondContact O-CG 3.48Å; L281-E285 PolarHBondContact O-N 3.29Å
282W95.4Very high94.2Very high95 Ų9590.1 Ų90.136%0.3645%0.448SS..Hα-helixtrans-64.5-38.5-179.8-65.4-27000111.7P273 W274 I279 I284 E285 M286P273-W282 HydrophobicContact CB-CD2 4.2Å; P273-W282 HydrophobicContact CB-CE3 4.38Å; P273-W282 HydrophobicContact CB-CH2 3.98Å; P273-W282 HydrophobicContact CB-CZ2 3.77Å; P273-W282 HydrophobicContact CB-CZ3 4.28Å; P273-W282 HydrophobicContact CG-CD2 4.01Å; P273-W282 HydrophobicContact CG-CG 4.27Å; P273-W282 HydrophobicContact CG-CZ2 4.14Å; W274-W282 HydrophobicContact CD2-CZ2 4.42Å; W274-W282 AromaticContact CE2-CZ2 3.73Å; W274-W282 HydrophobicContact CH2-CH2 4.2Å; W274-W282 HydrophobicContact CH2-CZ2 4.45Å; W274-W282 AromaticContact CZ2-CH2 3.96Å; W274-W282 HydrophobicContact CZ2-CH2 3.96Å; W274-W282 AromaticContact CZ2-CZ2 3.76Å; W274-W282 HydrophobicContact CZ2-CZ2 3.76Å; W274-W282 AromaticContact NE1-CZ2 3.84Å; I279-W282 HydrophobicContact CB-CE3 4.07Å; I279-W282 HydrophobicContact CG2-CE3 3.84Å; I279-W282 HydrophobicContact CG2-CZ3 3.89Å; I279-W282 PolarHBondContact O-N 3.15Å; W282-I284 VanDerWaalsContact C-N 3.32Å; W282-I284 PolarHBondContact O-N 3.16Å; W282-E285 PolarHBondContact O-N 3.05Å; W282-M286 WeakPolarHBondContact O-CB 3.38Å; W282-M286 WeakPolarHBondContact O-CG 3.5Å; W282-M286 PolarHBondContact O-N 2.94Å
283D94.8Very high94Very high98 Ų9892.7 Ų92.752%0.52446%0.459SS..Hα-helixtrans-61.9-40.9174.5-72.4-24.8000111.7I279 T280 L281 M286 S287I279-D283 PolarHBondContact O-N 3.23Å; T280-D283 PolarHBondContact O-N 2.97Å; L281-D283 VanDerWaalsContact C-N 3.32Å; L281-D283 PolarHBondContact O-N 3.05Å; D283-M286 PolarHBondContact O-N 3.49Å; D283-S287 PolarHBondContact O-N 3.36Å; D283-S287 VanDerWaalsContact O-N 3.08Å
284I91.8Very high93.8Very high52 Ų5294.4 Ų94.427%0.26747%0.465SS..Hα-helixtrans-64.3-43.4174.9-68.7165.2000110.8T280 L281 W282 M286 S287T280-I284 HydrophobicContact CG2-CD1 3.84Å; T280-I284 HydrophobicContact CG2-CG1 4.38Å; T280-I284 VanDerWaalsContact O-CG1 3.25Å; T280-I284 WeakPolarHBondContact O-CG1 3.31Å; T280-I284 PolarHBondContact O-N 3.33Å; L281-I284 WeakPolarHBondContact O-CB 3.39Å; L281-I284 PolarHBondContact O-N 2.92Å; W282-I284 VanDerWaalsContact C-N 3.32Å; W282-I284 PolarHBondContact O-N 3.16Å; I284-M286 PolarHBondContact O-N 2.85Å; I284-S287 WeakPolarHBondContact O-CB 3.46Å; I284-S287 PolarHBondContact O-N 3.35Å
285E91Very high93.8Very high110 Ų11085 Ų8551%0.51443%0.429SS..Hα-helixtrans-67.2-33.8179.2-72.7-173.9157.700112.8L281 W282 S287 R294L281-E285 HydrophobicContact CD1-CG 4.4Å; L281-E285 WeakPolarHBondContact O-CG 3.48Å; L281-E285 PolarHBondContact O-N 3.29Å; W282-E285 PolarHBondContact O-N 3.05Å; E285-S287 VanDerWaalsContact C-N 3.32Å; E285-R294 PolarHBondContact O-NH1 3.08Å
286M91.5Very high93.8Very high161 Ų16182.2 Ų82.279%0.79341%0.411SS*.Hα-helixtrans-81.1-11.2176-69.9-174.864.100113.7W282 D283 I284W282-M286 WeakPolarHBondContact O-CB 3.38Å; W282-M286 WeakPolarHBondContact O-CG 3.5Å; W282-M286 PolarHBondContact O-N 2.94Å; D283-M286 PolarHBondContact O-N 3.49Å; I284-M286 PolarHBondContact O-N 2.85Å
287S92.2Very high93.8Very high42 Ų4284.2 Ų84.229%0.29441%0.411SS..  trans-57.9147.5-179.5-1770000112.5D283 I284 E285 E289 R294D283-S287 PolarHBondContact O-N 3.36Å; D283-S287 VanDerWaalsContact O-N 3.08Å; I284-S287 WeakPolarHBondContact O-CB 3.46Å; I284-S287 PolarHBondContact O-N 3.35Å; E285-S287 VanDerWaalsContact C-N 3.32Å; S287-E289 VanDerWaalsContact C-N 3.26Å; S287-E289 PolarHBondContact OG-N 3.26Å; S287-E289 PolarHBondContact OG-O 3.31Å; S287-R294 PolarHBondContact O-NH1 3.19Å
288K91.4Very high93.9Very high188 Ų18877.2 Ų77.282%0.81737%0.373SS*.SBendtrans-75.5-18168.5-67.1-174178.5-178.20112.4P290K288-P290 WeakPolarHBondContact O-CD 3.49Å
289E91Very high93.9Very high162 Ų16275.6 Ų75.676%0.75737%0.371SS*.SBendtrans-95.2102.6171.7-66.7-176.2-17900108.4S287S287-E289 VanDerWaalsContact C-N 3.26Å; S287-E289 PolarHBondContact OG-N 3.26Å; S287-E289 PolarHBondContact OG-O 3.31Å
290P92Very high93.9Very high31 Ų3173 Ų7320%0.20136%0.356CS..  trans-74.1143.3-172.932.9-35.8000110.6K288 R294 V295 W298 V310K288-P290 WeakPolarHBondContact O-CD 3.49Å; P290-R294 HydrophobicContact CB-CB 4.4Å; P290-R294 HydrophobicContact CB-CG 4.3Å; P290-V295 HydrophobicContact CB-CG2 3.84Å; P290-V295 HydrophobicContact CG-CG2 3.66Å; P290-W298 HydrophobicContact CB-CH2 4.01Å; P290-W298 HydrophobicContact CB-CZ2 3.93Å; P290-W298 HydrophobicContact CG-CH2 3.75Å; P290-W298 HydrophobicContact CG-CZ2 4.19Å; P290-V310 HydrophobicContact CB-CG1 4.48Å; P290-V310 HydrophobicContact CG-CG1 4.09Å
291S91.8Very high93.9Very high43 Ų4371.8 Ų71.830%0.30135%0.35SS..  trans-68.8159.9171.372.60000111.3Q293 R294 V295S291-Q293 VanDerWaalsContact C-N 3.26Å; S291-Q293 PolarHBondContact O-N 3.17Å; S291-R294 WeakPolarHBondContact O-CB 3.47Å; S291-R294 PolarHBondContact O-N 3.45Å; S291-R294 VanDerWaalsContact O-N 3.11Å; S291-R294 WeakPolarHBondContact OG-CB 3.44Å; S291-R294 PolarHBondContact OG-N 3.24Å; S291-V295 WeakPolarHBondContact O-CG2 3.34Å; S291-V295 PolarHBondContact O-N 3.17Å
292Q92.1Very high94.2Very high95 Ų9570.8 Ų70.844%0.44435%0.345SS..Hα-helixtrans-57.7-39.4176.7-174.1177.933.900112.3V295 K296 L416Q292-V295 PolarHBondContact O-N 2.91Å; Q292-K296 WeakPolarHBondContact O-CB 3.27Å; Q292-K296 PolarHBondContact O-N 2.91Å; Q292-L416 WeakPolarHBondContact CG-O 3.14Å; Q292-L416 PolarHBondContact NE2-O 3.23Å
293Q91.8Very high94.2Very high87 Ų8769 Ų6941%0.40734%0.342SS..Hα-helixtrans-63.3-45.3175.9-73.1179.2-14.700111.1Y261 S291 V295 K296 R297Y261-Q293 HydrophobicContact CE1-CB 4.01Å; Y261-Q293 WeakPolarHBondContact CE1-O 3.39Å; Y261-Q293 PolarHBondContact OH-O 3.26Å; Y261-Q293 VanDerWaalsContact OH-O 3.12Å; S291-Q293 VanDerWaalsContact C-N 3.26Å; S291-Q293 PolarHBondContact O-N 3.17Å; Q293-V295 VanDerWaalsContact C-N 3.32Å; Q293-V295 PolarHBondContact O-N 3.27Å; Q293-K296 PolarHBondContact O-N 3.22Å; Q293-R297 PolarHBondContact O-N 2.91Å
294R94.6Very high94.4Very high43 Ų4364.7 Ų64.716%0.16232%0.319CS..Hα-helixtrans-59.9-42176.7-174.2172173.4-158.7-8.5111.8E285 S287 P290 S291 R297 W298 D308E285-R294 PolarHBondContact O-NH1 3.08Å; S287-R294 PolarHBondContact O-NH1 3.19Å; P290-R294 HydrophobicContact CB-CB 4.4Å; P290-R294 HydrophobicContact CB-CG 4.3Å; S291-R294 WeakPolarHBondContact O-CB 3.47Å; S291-R294 PolarHBondContact O-N 3.45Å; S291-R294 VanDerWaalsContact O-N 3.11Å; S291-R294 WeakPolarHBondContact OG-CB 3.44Å; S291-R294 PolarHBondContact OG-N 3.24Å; R294-R297 WeakPolarHBondContact O-CB 3.36Å; R294-R297 PolarHBondContact O-N 3.39Å; R294-W298 VanDerWaalsContact O-CD1 3.26Å; R294-W298 PolarHBondContact O-NE1 2.94Å; R294-D308 WeakPolarHBondContact CG-OD2 3.33Å; R294-D308 IonicContact CZ-OD1 2.71Å; R294-D308 IonicContact CZ-OD2 3.78Å; R294-D308 IonicContact NE-OD1 3.28Å; R294-D308 IonicContact NE-OD2 2.95Å; R294-D308 PolarHBondContact NE-OD2 2.72Å; R294-D308 VanDerWaalsContact NH2-CG 3.34Å; R294-D308 IonicContact NH2-OD1 2.66Å; R294-D308 PolarHBondContact NH2-OD1 3.27Å; R294-D308 IonicContact NH2-OD2 3.84Å; R294-D308 PolarHBondContact NH2-OD2 3.22Å
295V96.3Very high94.7Very high1 Ų162.2 Ų62.21%0.00631%0.306CS..Hα-helixtrans-66.3-45175.1178.70000111.7P290 S291 Q292 Q293 R297 W298 Y412 L415 L416P290-V295 HydrophobicContact CB-CG2 3.84Å; P290-V295 HydrophobicContact CG-CG2 3.66Å; S291-V295 WeakPolarHBondContact O-CG2 3.34Å; S291-V295 PolarHBondContact O-N 3.17Å; Q292-V295 PolarHBondContact O-N 2.91Å; Q293-V295 VanDerWaalsContact C-N 3.32Å; Q293-V295 PolarHBondContact O-N 3.27Å; V295-R297 PolarHBondContact O-N 3.33Å; V295-W298 HydrophobicContact CB-CE3 4.28Å; V295-W298 HydrophobicContact CB-CZ3 4.38Å; V295-W298 HydrophobicContact CG1-CE3 3.95Å; V295-W298 HydrophobicContact CG1-CZ3 4.13Å; V295-W298 HydrophobicContact CG2-CE3 4.29Å; V295-W298 HydrophobicContact CG2-CH2 4.01Å; V295-W298 HydrophobicContact CG2-CZ2 4.45Å; V295-W298 HydrophobicContact CG2-CZ3 3.91Å; V295-W298 VanDerWaalsContact O-CB 3.31Å; V295-W298 WeakPolarHBondContact O-CB 3.36Å; V295-W298 PolarHBondContact O-N 3.02Å; V295-Y412 HydrophobicContact CG1-CD2 4.17Å; V295-Y412 HydrophobicContact CG1-CE2 3.71Å; V295-Y412 PolarHBondContact O-OH 3.5Å; V295-L415 HydrophobicContact CG1-CB 4.03Å; V295-L415 HydrophobicContact CG2-CB 4.37Å; V295-L416 HydrophobicContact CG1-CB 4.25Å; V295-L416 HydrophobicContact CG1-CD1 4.26Å
296K96Very high95Very high85 Ų8557.4 Ų57.437%0.3728%0.284SS..Hα-helixtrans-55.3-39.1177.3-178.9-176.6174-166.30111.3E260 Q292 Q293 W298 G299 F300 L416E260-K296 IonicContact OE2-NZ 3.62Å; E260-K296 PolarHBondContact OE2-NZ 3.17Å; Q292-K296 WeakPolarHBondContact O-CB 3.27Å; Q292-K296 PolarHBondContact O-N 2.91Å; Q293-K296 PolarHBondContact O-N 3.22Å; K296-W298 VanDerWaalsContact C-N 3.32Å; K296-W298 PolarHBondContact O-N 3.42Å; K296-G299 PolarHBondContact O-N 3.21Å; K296-G299 VanDerWaalsContact O-N 3.15Å; K296-F300 HydrophobicContact CG-CE1 4.23Å; K296-L416 HydrophobicContact CB-CD1 3.91Å
297R96.8Very high95.2Very high94 Ų9456 Ų5636%0.35527%0.274SS..Hα-helixtrans-63.4-33.2178.1-172.1174168.3171.90.9113.3Y258 Y261 Q293 R294 V295 G299 F300 E304Y258-R297 HydrophobicContact CE1-CG 4.33Å; Y261-R297 HydrophobicContact CE1-CB 3.88Å; Y261-R297 HydrophobicContact CE1-CG 4.42Å; Q293-R297 PolarHBondContact O-N 2.91Å; R294-R297 WeakPolarHBondContact O-CB 3.36Å; R294-R297 PolarHBondContact O-N 3.39Å; V295-R297 PolarHBondContact O-N 3.33Å; R297-G299 PolarHBondContact O-N 2.88Å; R297-F300 HydrophobicContact CB-CD2 4.46Å; R297-F300 HydrophobicContact CG-CD2 4.04Å; R297-F300 HydrophobicContact CG-CE2 4.35Å; R297-F300 VanDerWaalsContact O-CB 3.32Å; R297-F300 WeakPolarHBondContact O-CB 3.34Å; R297-F300 WeakPolarHBondContact O-CG 3.49Å; R297-F300 PolarHBondContact O-N 3.01Å; R297-E304 HydrophobicContact CG-CG 4.33Å; R297-E304 IonicContact CZ-OE2 3.24Å; R297-E304 VanDerWaalsContact CZ-OE2 3.22Å; R297-E304 IonicContact NE-OE2 2.71Å; R297-E304 PolarHBondContact NE-OE2 2.93Å; R297-E304 IonicContact NH2-OE2 2.76Å; R297-E304 PolarHBondContact NH2-OE2 3.28Å; R297-E304 WeakPolarHBondContact O-CB 3.44Å
298W97.5Very high95.4Very high2 Ų255.2 Ų55.21%0.00827%0.266CS..Hα-helixtrans-59.9-27.2175.1-57.5-18.5000112.8P290 R294 V295 K296 F300 I305 D308 V310 Q314 Y403 Y412 L415P290-W298 HydrophobicContact CB-CH2 4.01Å; P290-W298 HydrophobicContact CB-CZ2 3.93Å; P290-W298 HydrophobicContact CG-CH2 3.75Å; P290-W298 HydrophobicContact CG-CZ2 4.19Å; R294-W298 VanDerWaalsContact O-CD1 3.26Å; R294-W298 PolarHBondContact O-NE1 2.94Å; V295-W298 HydrophobicContact CB-CE3 4.28Å; V295-W298 HydrophobicContact CB-CZ3 4.38Å; V295-W298 HydrophobicContact CG1-CE3 3.95Å; V295-W298 HydrophobicContact CG1-CZ3 4.13Å; V295-W298 HydrophobicContact CG2-CE3 4.29Å; V295-W298 HydrophobicContact CG2-CH2 4.01Å; V295-W298 HydrophobicContact CG2-CZ2 4.45Å; V295-W298 HydrophobicContact CG2-CZ3 3.91Å; V295-W298 VanDerWaalsContact O-CB 3.31Å; V295-W298 WeakPolarHBondContact O-CB 3.36Å; V295-W298 PolarHBondContact O-N 3.02Å; K296-W298 VanDerWaalsContact C-N 3.32Å; K296-W298 PolarHBondContact O-N 3.42Å; W298-F300 VanDerWaalsContact C-N 3.29Å; W298-F300 PolarHBondContact O-N 3.49Å; W298-I305 HydrophobicContact CB-CB 4.03Å; W298-I305 HydrophobicContact CB-CD1 4.49Å; W298-I305 HydrophobicContact CB-CG1 4.27Å; W298-I305 HydrophobicContact CG-CB 4.43Å; W298-I305 HydrophobicContact CG-CG1 4.39Å; W298-D308 PolarHBondContact NE1-OD2 3.43Å; W298-V310 HydrophobicContact CH2-CB 4.35Å; W298-V310 HydrophobicContact CH2-CG1 3.93Å; W298-V310 HydrophobicContact CZ2-CB 4.11Å; W298-V310 HydrophobicContact CZ2-CG1 4.18Å; W298-Q314 HydrophobicContact CH2-CG 4.41Å; W298-Q314 HydrophobicContact CZ3-CG 4.38Å; W298-Y403 PolarHBondContact O-OH 3.25Å; W298-Y412 HydrophobicContact CB-CE2 4.41Å; W298-Y412 HydrophobicContact CE3-CE2 4.42Å; W298-L415 HydrophobicContact CZ3-CD1 4.19Å
299G97Very high95.6Very high25 Ų2551 Ų5126%0.25825%0.249SC..THydrogen-bonded Turntrans-76.1-1117700000114.8K296 R297 Y403K296-G299 PolarHBondContact O-N 3.21Å; K296-G299 VanDerWaalsContact O-N 3.15Å; R297-G299 PolarHBondContact O-N 2.88Å; G299-Y403 VanDerWaalsContact C-OH 3.27Å; G299-Y403 WeakPolarHBondContact CA-OH 3.48Å; G299-Y403 PolarHBondContact O-OH 3.43Å
300F97.1Very high95.9Very high40 Ų4044 Ų4418%0.17522%0.217CC..THydrogen-bonded Turntrans-72.3-39.3-175.9-67.4-5.7000112.6Q257 Y258 Y261 K296 R297 W298 E304Q257-F300 HydrophobicContact CG-CD1 4.09Å; Q257-F300 HydrophobicContact CG-CD2 3.73Å; Q257-F300 HydrophobicContact CG-CE1 4.09Å; Q257-F300 HydrophobicContact CG-CE2 3.73Å; Q257-F300 HydrophobicContact CG-CG 3.89Å; Q257-F300 HydrophobicContact CG-CZ 3.9Å; Q257-F300 VanDerWaalsContact NE2-CD1 3.27Å; Q257-F300 VanDerWaalsContact NE2-CG 3.27Å; Q257-F300 VanDerWaalsContact O-CE2 3.3Å; Q257-F300 WeakPolarHBondContact O-CE2 3.26Å; Y258-F300 HydrophobicContact CD1-CD2 4.29Å; Y258-F300 HydrophobicContact CD1-CE2 4.42Å; Y258-F300 HydrophobicContact CD2-CD2 4.48Å; Y258-F300 AromaticContact CE1-CD2 3.8Å; Y258-F300 HydrophobicContact CE1-CD2 3.8Å; Y258-F300 HydrophobicContact CE1-CE2 4.35Å; Y258-F300 HydrophobicContact CE2-CD2 4Å; Y258-F300 AromaticContact CZ-CD2 3.65Å; Y261-F300 HydrophobicContact CD2-CE2 4.03Å; Y261-F300 HydrophobicContact CD2-CZ 4.46Å; Y261-F300 AromaticContact CE2-CE2 3.43Å; Y261-F300 HydrophobicContact CE2-CE2 3.43Å; Y261-F300 VanDerWaalsContact CE2-CE2 3.43Å; Y261-F300 AromaticContact CE2-CZ 3.51Å; Y261-F300 HydrophobicContact CE2-CZ 3.51Å; Y261-F300 AromaticContact CZ-CE2 3.95Å; Y261-F300 AromaticContact CZ-CZ 3.94Å; K296-F300 HydrophobicContact CG-CE1 4.23Å; R297-F300 HydrophobicContact CB-CD2 4.46Å; R297-F300 HydrophobicContact CG-CD2 4.04Å; R297-F300 HydrophobicContact CG-CE2 4.35Å; R297-F300 VanDerWaalsContact O-CB 3.32Å; R297-F300 WeakPolarHBondContact O-CB 3.34Å; R297-F300 WeakPolarHBondContact O-CG 3.49Å; R297-F300 PolarHBondContact O-N 3.01Å; W298-F300 VanDerWaalsContact C-N 3.29Å; W298-F300 PolarHBondContact O-N 3.49Å; F300-E304 HydrophobicContact CB-CG 4.32Å
301S97.3Very high96.1Very high32 Ų3242.5 Ų42.522%0.22421%0.207CC..  trans-161.4158.6175.973.60000110.8D303 E304 Y403S301-D303 PolarHBondContact O-N 3.39Å; S301-D303 PolarHBondContact OG-N 3.41Å; S301-E304 PolarHBondContact O-N 2.97Å; S301-E304 PolarHBondContact OG-N 2.72Å; S301-Y403 PolarHBondContact N-OH 2.96Å; S301-Y403 PolarHBondContact O-OH 2.87Å
302F98.1Very high96.4Very high1 Ų142.9 Ų42.90%0.00420%0.202CC..Hα-helixtrans-59.1-29.8174.5-171.9-137.8000112.3E304 I305 L306 F315 Y395 M398 K399 Y403F302-E304 VanDerWaalsContact C-N 3.35Å; F302-E304 PolarHBondContact O-N 3.45Å; F302-I305 HydrophobicContact CD2-CG2 3.79Å; F302-I305 HydrophobicContact CE2-CG2 4.33Å; F302-I305 WeakPolarHBondContact O-CG2 3.48Å; F302-L306 HydrophobicContact CD1-CD1 3.84Å; F302-L306 HydrophobicContact CD2-CD1 4.32Å; F302-L306 HydrophobicContact CD2-CG 4.2Å; F302-L306 HydrophobicContact CE1-CD1 3.57Å; F302-L306 HydrophobicContact CE1-CG 4.36Å; F302-L306 HydrophobicContact CE2-CD1 4.05Å; F302-L306 HydrophobicContact CE2-CD2 4.11Å; F302-L306 HydrophobicContact CE2-CG 3.94Å; F302-L306 HydrophobicContact CG-CD1 4.23Å; F302-L306 HydrophobicContact CZ-CD1 3.67Å; F302-L306 HydrophobicContact CZ-CD2 4.13Å; F302-L306 HydrophobicContact CZ-CG 4.03Å; F302-L306 WeakPolarHBondContact O-CB 3.37Å; F302-L306 VanDerWaalsContact O-CG 3.28Å; F302-L306 WeakPolarHBondContact O-CG 3.42Å; F302-L306 PolarHBondContact O-N 2.86Å; F302-L306 VanDerWaalsContact O-N 3.13Å; F302-F315 HydrophobicContact CE2-CD1 4.23Å; F302-F315 AromaticContact CE2-CE1 3.54Å; F302-F315 HydrophobicContact CE2-CE1 3.54Å; F302-F315 AromaticContact CE2-CZ 3.86Å; F302-F315 HydrophobicContact CE2-CZ 3.86Å; F302-F315 AromaticContact CZ-CE1 3.98Å; F302-F315 HydrophobicContact CZ-CE1 3.98Å; F302-F315 HydrophobicContact CZ-CZ 4.42Å; F302-Y395 AromaticContact CD1-CD2 3.88Å; F302-Y395 HydrophobicContact CD1-CD2 3.88Å; F302-Y395 HydrophobicContact CD1-CE1 4.29Å; F302-Y395 AromaticContact CD1-CE2 3.48Å; F302-Y395 HydrophobicContact CD1-CE2 3.48Å; F302-Y395 VanDerWaalsContact CD1-CE2 3.48Å; F302-Y395 HydrophobicContact CD1-CG 4.46Å; F302-Y395 AromaticContact CD1-CZ 3.7Å; F302-Y395 AromaticContact CE1-CD2 3.71Å; F302-Y395 HydrophobicContact CE1-CD2 3.71Å; F302-Y395 AromaticContact CE1-CE2 3.8Å; F302-Y395 HydrophobicContact CE1-CE2 3.8Å; F302-Y395 HydrophobicContact CE1-CG 4.26Å; F302-M398 HydrophobicContact CE1-CB 3.88Å; F302-M398 HydrophobicContact CE1-CE 4.44Å; F302-M398 HydrophobicContact CE2-CB 4.42Å; F302-M398 HydrophobicContact CZ-CB 3.52Å; F302-M398 HydrophobicContact CZ-CE 4.07Å; F302-M398 HydrophobicContact CZ-SD 4.24Å; F302-K399 HydrophobicContact CB-CB 4.32Å; F302-K399 HydrophobicContact CB-CD 4.21Å; F302-K399 HydrophobicContact CB-CG 3.91Å; F302-K399 HydrophobicContact CD1-CB 3.6Å; F302-K399 HydrophobicContact CD1-CD 4.36Å; F302-K399 HydrophobicContact CD1-CG 4.1Å; F302-K399 HydrophobicContact CE1-CB 4.15Å; F302-K399 HydrophobicContact CG-CB 4.14Å; F302-K399 HydrophobicContact CG-CG 4.28Å; F302-Y403 HydrophobicContact CB-CD1 3.97Å; F302-Y403 HydrophobicContact CB-CD2 4.49Å; F302-Y403 HydrophobicContact CB-CE1 4.15Å; F302-Y403 HydrophobicContact CB-CG 4.15Å; F302-Y403 HydrophobicContact CD2-CD1 4.25Å; F302-Y403 AromaticContact CD2-CD2 3.61Å; F302-Y403 HydrophobicContact CD2-CD2 3.61Å; F302-Y403 HydrophobicContact CD2-CE2 4.32Å; F302-Y403 AromaticContact CD2-CG 3.56Å; F302-Y403 HydrophobicContact CD2-CG 3.56Å; F302-Y403 HydrophobicContact CE2-CD2 4.35Å; F302-Y403 HydrophobicContact CE2-CG 4.32Å; F302-Y403 HydrophobicContact CG-CD1 4.43Å; F302-Y403 HydrophobicContact CG-CD2 4.49Å; F302-Y403 HydrophobicContact CG-CG 4.16Å
303D97.4Very high96.6Very high57 Ų5741.3 Ų41.331%0.30520%0.197SC..Hα-helixtrans-68.1-33.1176.3-58.3-68.2000112.5S301 L306 K307 Y395S301-D303 PolarHBondContact O-N 3.39Å; S301-D303 PolarHBondContact OG-N 3.41Å; D303-L306 PolarHBondContact O-N 3.19Å; D303-K307 WeakPolarHBondContact O-CB 3.27Å; D303-K307 WeakPolarHBondContact O-CD 3.46Å; D303-K307 WeakPolarHBondContact O-CG 3.33Å; D303-K307 PolarHBondContact O-N 2.92Å; D303-Y395 PolarHBondContact OD1-OH 2.96Å; D303-Y395 PolarHBondContact OD2-OH 3.34Å
304E97.8Very high96.8Very high8 Ų839.1 Ų39.14%0.03719%0.187CC..Hα-helixtrans-67.1-44.7179.4-69.9-53.7114.200111.8Y258 R297 F300 S301 F302 L306 K307 D308Y258-E304 HydrophobicContact CE1-CG 4.46Å; Y258-E304 VanDerWaalsContact OH-CD 3.31Å; Y258-E304 WeakPolarHBondContact OH-CG 3.27Å; R297-E304 HydrophobicContact CG-CG 4.33Å; R297-E304 IonicContact CZ-OE2 3.24Å; R297-E304 VanDerWaalsContact CZ-OE2 3.22Å; R297-E304 IonicContact NE-OE2 2.71Å; R297-E304 PolarHBondContact NE-OE2 2.93Å; R297-E304 IonicContact NH2-OE2 2.76Å; R297-E304 PolarHBondContact NH2-OE2 3.28Å; R297-E304 WeakPolarHBondContact O-CB 3.44Å; F300-E304 HydrophobicContact CB-CG 4.32Å; S301-E304 PolarHBondContact O-N 2.97Å; S301-E304 PolarHBondContact OG-N 2.72Å; F302-E304 VanDerWaalsContact C-N 3.35Å; F302-E304 PolarHBondContact O-N 3.45Å; E304-L306 VanDerWaalsContact C-N 3.33Å; E304-L306 PolarHBondContact O-N 3.23Å; E304-K307 PolarHBondContact O-N 3.29Å; E304-K307 IonicContact OE1-NZ 3.61Å; E304-K307 PolarHBondContact OE1-NZ 3.35Å; E304-D308 PolarHBondContact O-N 3.08Å
305I97.4Very high97Very high0 Ų037.1 Ų37.10%018%0.179CC..Hα-helixtrans-66.7-36.4175.6-168.7168.5000112W298 F302 D308 G311 R312 F315 Y403 F406W298-I305 HydrophobicContact CB-CB 4.03Å; W298-I305 HydrophobicContact CB-CD1 4.49Å; W298-I305 HydrophobicContact CB-CG1 4.27Å; W298-I305 HydrophobicContact CG-CB 4.43Å; W298-I305 HydrophobicContact CG-CG1 4.39Å; F302-I305 HydrophobicContact CD2-CG2 3.79Å; F302-I305 HydrophobicContact CE2-CG2 4.33Å; F302-I305 WeakPolarHBondContact O-CG2 3.48Å; I305-D308 PolarHBondContact O-N 3.27Å; I305-G311 WeakPolarHBondContact CG1-O 3.49Å; I305-R312 PolarHBondContact O-N 3.45Å; I305-F315 HydrophobicContact CD1-CB 3.76Å; I305-F315 HydrophobicContact CD1-CD2 4.43Å; I305-F315 HydrophobicContact CD1-CG 4.18Å; I305-F315 HydrophobicContact CG1-CB 4.32Å; I305-Y403 HydrophobicContact CB-CE2 4.39Å; I305-Y403 HydrophobicContact CG2-CD2 3.87Å; I305-Y403 HydrophobicContact CG2-CE2 3.66Å; I305-F406 HydrophobicContact CD1-CD1 3.68Å; I305-F406 HydrophobicContact CD1-CE1 3.21Å; I305-F406 HydrophobicContact CD1-CZ 3.84Å
306L97.2Very high97.1Very high8 Ų838.9 Ų38.94%0.04219%0.189CC..Hα-helixtrans-73.2-24.6178.3-72.2-179000113.3F302 D303 E304 R312 L328 W331 Y395F302-L306 HydrophobicContact CD1-CD1 3.84Å; F302-L306 HydrophobicContact CD2-CD1 4.32Å; F302-L306 HydrophobicContact CD2-CG 4.2Å; F302-L306 HydrophobicContact CE1-CD1 3.57Å; F302-L306 HydrophobicContact CE1-CG 4.36Å; F302-L306 HydrophobicContact CE2-CD1 4.05Å; F302-L306 HydrophobicContact CE2-CD2 4.11Å; F302-L306 HydrophobicContact CE2-CG 3.94Å; F302-L306 HydrophobicContact CG-CD1 4.23Å; F302-L306 HydrophobicContact CZ-CD1 3.67Å; F302-L306 HydrophobicContact CZ-CD2 4.13Å; F302-L306 HydrophobicContact CZ-CG 4.03Å; F302-L306 WeakPolarHBondContact O-CB 3.37Å; F302-L306 VanDerWaalsContact O-CG 3.28Å; F302-L306 WeakPolarHBondContact O-CG 3.42Å; F302-L306 PolarHBondContact O-N 2.86Å; F302-L306 VanDerWaalsContact O-N 3.13Å; D303-L306 PolarHBondContact O-N 3.19Å; E304-L306 VanDerWaalsContact C-N 3.33Å; E304-L306 PolarHBondContact O-N 3.23Å; L306-R312 VanDerWaalsContact O-CD 3.23Å; L306-R312 WeakPolarHBondContact O-CD 2.92Å; L306-R312 WeakPolarHBondContact O-CG 3.38Å; L306-R312 PolarHBondContact O-NH1 3.05Å; L306-L328 HydrophobicContact CD2-CD1 3.59Å; L306-W331 HydrophobicContact CB-CH2 4.27Å; L306-W331 HydrophobicContact CB-CZ3 4.4Å; L306-W331 HydrophobicContact CD1-CE3 4.42Å; L306-W331 HydrophobicContact CD1-CH2 3.82Å; L306-W331 HydrophobicContact CD1-CZ2 3.95Å; L306-W331 HydrophobicContact CD1-CZ3 4.06Å; L306-W331 HydrophobicContact CD2-CE3 4.44Å; L306-W331 HydrophobicContact CD2-CZ3 4.2Å; L306-W331 HydrophobicContact CG-CZ3 4.47Å; L306-Y395 HydrophobicContact CD1-CD2 4.08Å; L306-Y395 HydrophobicContact CD1-CE2 3.83Å
307K96Very high97.1Very high133 Ų13341.5 Ų41.558%0.57820%0.196SC*.Hα-helixtrans-76.2-36.3174-74.4166.6-161.8166.30111.9D303 E304 R312D303-K307 WeakPolarHBondContact O-CB 3.27Å; D303-K307 WeakPolarHBondContact O-CD 3.46Å; D303-K307 WeakPolarHBondContact O-CG 3.33Å; D303-K307 PolarHBondContact O-N 2.92Å; E304-K307 PolarHBondContact O-N 3.29Å; E304-K307 IonicContact OE1-NZ 3.61Å; E304-K307 PolarHBondContact OE1-NZ 3.35Å; K307-R312 PolarHBondContact O-NH1 2.82Å
308D96.8Very high97.1Very high24 Ų2437.8 Ų37.813%0.12818%0.183CC..SBendtrans-77.3125.4-178.4-167-54.3000112.1R294 W298 E304 I305 V310 G311 R312R294-D308 WeakPolarHBondContact CG-OD2 3.33Å; R294-D308 IonicContact CZ-OD1 2.71Å; R294-D308 IonicContact CZ-OD2 3.78Å; R294-D308 IonicContact NE-OD1 3.28Å; R294-D308 IonicContact NE-OD2 2.95Å; R294-D308 PolarHBondContact NE-OD2 2.72Å; R294-D308 VanDerWaalsContact NH2-CG 3.34Å; R294-D308 IonicContact NH2-OD1 2.66Å; R294-D308 PolarHBondContact NH2-OD1 3.27Å; R294-D308 IonicContact NH2-OD2 3.84Å; R294-D308 PolarHBondContact NH2-OD2 3.22Å; W298-D308 PolarHBondContact NE1-OD2 3.43Å; E304-D308 PolarHBondContact O-N 3.08Å; I305-D308 PolarHBondContact O-N 3.27Å; D308-V310 PolarHBondContact O-N 3.2Å; D308-V310 WeakPolarHBondContact OD1-CA 3.23Å; D308-V310 PolarHBondContact OD1-N 2.86Å; D308-G311 PolarHBondContact O-N 3Å; D308-G311 PolarHBondContact OD1-N 3.49Å; D308-R312 WeakPolarHBondContact O-CG 3.21Å; D308-R312 PolarHBondContact O-N 2.99Å
309Q95.7Very high97.1Very high100 Ų10037.7 Ų37.747%0.46718%0.182SC..Hα-helixtrans-62.1-44.6178.6-178.663.155.400112.7G311 R312 D313Q309-G311 VanDerWaalsContact C-N 3.33Å; Q309-R312 PolarHBondContact O-N 3.04Å; Q309-D313 PolarHBondContact NE2-OD1 3.24Å; Q309-D313 PolarHBondContact O-N 2.95Å
310V96.4Very high97.1Very high14 Ų1440.2 Ų40.29%0.08519%0.187CC..Hα-helixtrans-70.2-37.7180-177.70000109.5P290 W298 D308 D313 Q314P290-V310 HydrophobicContact CB-CG1 4.48Å; P290-V310 HydrophobicContact CG-CG1 4.09Å; W298-V310 HydrophobicContact CH2-CB 4.35Å; W298-V310 HydrophobicContact CH2-CG1 3.93Å; W298-V310 HydrophobicContact CZ2-CB 4.11Å; W298-V310 HydrophobicContact CZ2-CG1 4.18Å; D308-V310 PolarHBondContact O-N 3.2Å; D308-V310 WeakPolarHBondContact OD1-CA 3.23Å; D308-V310 PolarHBondContact OD1-N 2.86Å; V310-D313 PolarHBondContact O-N 2.72Å; V310-Q314 HydrophobicContact CG1-CG 4.45Å; V310-Q314 WeakPolarHBondContact O-CG 3.45Å; V310-Q314 PolarHBondContact O-N 3.04Å
311G96.9Very high97Very high0 Ų042.2 Ų42.20%021%0.206CC..Hα-helixtrans-57.7-48.8172.800000112.3I305 D308 Q309 D313 Q314 F315I305-G311 WeakPolarHBondContact CG1-O 3.49Å; D308-G311 PolarHBondContact O-N 3Å; D308-G311 PolarHBondContact OD1-N 3.49Å; Q309-G311 VanDerWaalsContact C-N 3.33Å; G311-D313 PolarHBondContact O-N 3.4Å; G311-Q314 PolarHBondContact O-N 2.77Å; G311-F315 WeakPolarHBondContact O-CB 3.3Å; G311-F315 PolarHBondContact O-N 3.39Å
312R97.6Very high96.8Very high52 Ų5244 Ų4420%0.19621%0.211CC..Hα-helixtrans-56.6-45.9173.7-75.1-168.9-64.1-92.63.8112.4I305 L306 K307 D308 Q309 Q314 F315 L316I305-R312 PolarHBondContact O-N 3.45Å; L306-R312 VanDerWaalsContact O-CD 3.23Å; L306-R312 WeakPolarHBondContact O-CD 2.92Å; L306-R312 WeakPolarHBondContact O-CG 3.38Å; L306-R312 PolarHBondContact O-NH1 3.05Å; K307-R312 PolarHBondContact O-NH1 2.82Å; D308-R312 WeakPolarHBondContact O-CG 3.21Å; D308-R312 PolarHBondContact O-N 2.99Å; Q309-R312 PolarHBondContact O-N 3.04Å; R312-Q314 PolarHBondContact O-N 2.87Å; R312-F315 PolarHBondContact O-N 2.91Å; R312-L316 VanDerWaalsContact O-CB 3.32Å; R312-L316 WeakPolarHBondContact O-CB 3.5Å; R312-L316 PolarHBondContact O-N 3.47Å
313D96.8Very high96.5Very high61 Ų6152.7 Ų52.733%0.32625%0.249SC..Hα-helixtrans-64.1-41.7-178.5-65.1-13.5000111.4Q309 V310 G311 R317Q309-D313 PolarHBondContact NE2-OD1 3.24Å; Q309-D313 PolarHBondContact O-N 2.95Å; V310-D313 PolarHBondContact O-N 2.72Å; G311-D313 PolarHBondContact O-N 3.4Å; D313-R317 WeakPolarHBondContact O-CG 3.44Å; D313-R317 PolarHBondContact O-N 3.28Å
314Q96.9Very high96.3Very high42 Ų4250.8 Ų50.820%0.19624%0.24CC..Hα-helixtrans-68.9-40176.9-64.1-62.7-1.500112W298 V310 G311 R312 R317 F318 F406 L415W298-Q314 HydrophobicContact CH2-CG 4.41Å; W298-Q314 HydrophobicContact CZ3-CG 4.38Å; V310-Q314 HydrophobicContact CG1-CG 4.45Å; V310-Q314 WeakPolarHBondContact O-CG 3.45Å; V310-Q314 PolarHBondContact O-N 3.04Å; G311-Q314 PolarHBondContact O-N 2.77Å; R312-Q314 PolarHBondContact O-N 2.87Å; Q314-R317 VanDerWaalsContact NE2-NH1 3.16Å; Q314-R317 PolarHBondContact O-N 2.83Å; Q314-F318 PolarHBondContact O-N 2.68Å; Q314-F318 VanDerWaalsContact O-N 3.09Å; Q314-F406 HydrophobicContact CB-CE2 4.48Å; Q314-F406 HydrophobicContact CB-CZ 4.37Å; Q314-L415 HydrophobicContact CB-CD1 4.43Å; Q314-L415 HydrophobicContact CG-CD1 3.88Å
315F97.9Very high96.2Very high0 Ų051 Ų510%024%0.243CC..Hα-helixtrans-64.1-43.3175.2-172.8-128.6000111.4F302 I305 G311 R312 R317 F318 L319 L328 M398 F406F302-F315 HydrophobicContact CE2-CD1 4.23Å; F302-F315 AromaticContact CE2-CE1 3.54Å; F302-F315 HydrophobicContact CE2-CE1 3.54Å; F302-F315 AromaticContact CE2-CZ 3.86Å; F302-F315 HydrophobicContact CE2-CZ 3.86Å; F302-F315 AromaticContact CZ-CE1 3.98Å; F302-F315 HydrophobicContact CZ-CE1 3.98Å; F302-F315 HydrophobicContact CZ-CZ 4.42Å; I305-F315 HydrophobicContact CD1-CB 3.76Å; I305-F315 HydrophobicContact CD1-CD2 4.43Å; I305-F315 HydrophobicContact CD1-CG 4.18Å; I305-F315 HydrophobicContact CG1-CB 4.32Å; G311-F315 WeakPolarHBondContact O-CB 3.3Å; G311-F315 PolarHBondContact O-N 3.39Å; R312-F315 PolarHBondContact O-N 2.91Å; F315-R317 PolarHBondContact O-N 2.89Å; F315-F318 HydrophobicContact CD2-CD1 4.34Å; F315-F318 HydrophobicContact CE2-CD1 4.32Å; F315-F318 WeakPolarHBondContact O-CB 3.36Å; F315-F318 PolarHBondContact O-N 3.13Å; F315-L319 HydrophobicContact CD1-CD1 4.15Å; F315-L319 HydrophobicContact CE1-CD1 3.79Å; F315-L319 HydrophobicContact CE1-CG 4.41Å; F315-L319 HydrophobicContact CE2-CD2 4.12Å; F315-L319 HydrophobicContact CE2-CG 4.29Å; F315-L319 HydrophobicContact CZ-CD1 4Å; F315-L319 HydrophobicContact CZ-CD2 4.03Å; F315-L319 HydrophobicContact CZ-CG 4.21Å; F315-L319 WeakPolarHBondContact O-CG 3.45Å; F315-L319 PolarHBondContact O-N 2.96Å; F315-L328 HydrophobicContact CD1-CD1 4.3Å; F315-L328 HydrophobicContact CD1-CD2 3.66Å; F315-L328 HydrophobicContact CE1-CD1 4.42Å; F315-L328 HydrophobicContact CE1-CD2 4.23Å; F315-L328 HydrophobicContact CG-CD2 4.49Å; F315-M398 HydrophobicContact CE1-SD 4.24Å; F315-F406 HydrophobicContact CD2-CB 3.74Å; F315-F406 HydrophobicContact CD2-CD1 4.13Å; F315-F406 AromaticContact CD2-CD2 3.94Å; F315-F406 HydrophobicContact CD2-CD2 3.94Å; F315-F406 AromaticContact CD2-CG 3.66Å; F315-F406 HydrophobicContact CD2-CG 3.66Å; F315-F406 HydrophobicContact CE2-CB 3.75Å; F315-F406 HydrophobicContact CE2-CG 4.2Å
316L97.8Very high96.2Very high39 Ų3953.1 Ų53.120%0.20425%0.253CS..Hα-helixtrans-59.5-47.2176.2-178.662.9000111.8R312 F318 L319 E320 L328 R329R312-L316 VanDerWaalsContact O-CB 3.32Å; R312-L316 WeakPolarHBondContact O-CB 3.5Å; R312-L316 PolarHBondContact O-N 3.47Å; L316-F318 VanDerWaalsContact C-N 3.27Å; L316-F318 PolarHBondContact O-N 3.36Å; L316-L319 PolarHBondContact O-N 3.2Å; L316-L319 VanDerWaalsContact O-N 3.12Å; L316-E320 HydrophobicContact CD1-CG 4.49Å; L316-E320 HydrophobicContact CG-CG 4.49Å; L316-E320 WeakPolarHBondContact O-CG 3.43Å; L316-E320 PolarHBondContact O-N 2.94Å; L316-L328 HydrophobicContact CB-CD2 3.82Å; L316-L328 HydrophobicContact CD1-CD2 4.02Å; L316-R329 HydrophobicContact CD1-CG 4.14Å
317R96.8Very high96.2Very high139 Ų13953.3 Ų53.353%0.52525%0.254SS..Hα-helixtrans-59-39.5176.6-73.8175.7-169.9146.54.2112.5D313 Q314 F315 E320 S321D313-R317 WeakPolarHBondContact O-CG 3.44Å; D313-R317 PolarHBondContact O-N 3.28Å; Q314-R317 VanDerWaalsContact NE2-NH1 3.16Å; Q314-R317 PolarHBondContact O-N 2.83Å; F315-R317 PolarHBondContact O-N 2.89Å; R317-E320 PolarHBondContact O-N 3.43Å; R317-S321 PolarHBondContact O-N 2.99Å
318F97.5Very high96.2Very high17 Ų1747 Ų478%0.07523%0.226CC..Hα-helixtrans-61.7-47.8174.3168.1-99.7000111.1Q314 F315 L316 E320 S321 E322 R405 F406Q314-F318 PolarHBondContact O-N 2.68Å; Q314-F318 VanDerWaalsContact O-N 3.09Å; F315-F318 HydrophobicContact CD2-CD1 4.34Å; F315-F318 HydrophobicContact CE2-CD1 4.32Å; F315-F318 WeakPolarHBondContact O-CB 3.36Å; F315-F318 PolarHBondContact O-N 3.13Å; L316-F318 VanDerWaalsContact C-N 3.27Å; L316-F318 PolarHBondContact O-N 3.36Å; F318-E320 VanDerWaalsContact C-N 3.32Å; F318-E320 PolarHBondContact O-N 2.71Å; F318-S321 WeakPolarHBondContact O-CB 3.46Å; F318-S321 PolarHBondContact O-N 3.28Å; F318-S321 VanDerWaalsContact O-N 3.14Å; F318-S321 PolarHBondContact O-OG 3.35Å; F318-E322 WeakPolarHBondContact CE1-OE2 3.48Å; F318-E322 HydrophobicContact CE2-CG 4.39Å; F318-E322 HydrophobicContact CZ-CG 4.33Å; F318-E322 WeakPolarHBondContact CZ-OE1 3.41Å; F318-E322 WeakPolarHBondContact CZ-OE2 3.49Å; F318-E322 PolarHBondContact O-N 3.15Å; F318-R405 HydrophobicContact CE1-CB 4.43Å; F318-R405 HydrophobicContact CZ-CB 4.01Å; F318-F406 HydrophobicContact CB-CD2 3.69Å; F318-F406 HydrophobicContact CB-CE2 4.17Å; F318-F406 HydrophobicContact CD1-CB 3.76Å; F318-F406 AromaticContact CD1-CD2 3.91Å; F318-F406 HydrophobicContact CD1-CD2 3.91Å; F318-F406 HydrophobicContact CD1-CG 4.32Å; F318-F406 HydrophobicContact CD2-CD2 4.31Å; F318-F406 HydrophobicContact CE1-CB 3.81Å; F318-F406 HydrophobicContact CG-CB 4.32Å; F318-F406 AromaticContact CG-CD2 3.69Å; F318-F406 HydrophobicContact CG-CD2 3.69Å; F318-F406 HydrophobicContact CZ-CB 4.41Å
319L96.8Very high96.3Very high0 Ų050.3 Ų50.30%024%0.237CC..Hα-helixtrans-63.5-36.5177.5-62.5176.3000112.8F315 L316 S321 E322 F323 S324 L328F315-L319 HydrophobicContact CD1-CD1 4.15Å; F315-L319 HydrophobicContact CE1-CD1 3.79Å; F315-L319 HydrophobicContact CE1-CG 4.41Å; F315-L319 HydrophobicContact CE2-CD2 4.12Å; F315-L319 HydrophobicContact CE2-CG 4.29Å; F315-L319 HydrophobicContact CZ-CD1 4Å; F315-L319 HydrophobicContact CZ-CD2 4.03Å; F315-L319 HydrophobicContact CZ-CG 4.21Å; F315-L319 WeakPolarHBondContact O-CG 3.45Å; F315-L319 PolarHBondContact O-N 2.96Å; L316-L319 PolarHBondContact O-N 3.2Å; L316-L319 VanDerWaalsContact O-N 3.12Å; L319-S321 VanDerWaalsContact C-N 3.31Å; L319-S321 PolarHBondContact O-N 2.86Å; L319-E322 CarbonylContact O-C 3.28Å; L319-E322 PolarHBondContact O-N 3.16Å; L319-E322 VanDerWaalsContact O-N 3.16Å; L319-F323 PolarHBondContact O-N 3.21Å; L319-S324 PolarHBondContact O-N 3.22Å; L319-S324 PolarHBondContact O-OG 3.47Å; L319-L328 HydrophobicContact CD1-CB 3.54Å; L319-L328 HydrophobicContact CD1-CD2 3.91Å; L319-L328 HydrophobicContact CD1-CG 4.36Å
320E96.4Very high96.4Very high77 Ų7745.5 Ų45.536%0.3622%0.215SC..Hα-helixtrans-62.7-38.8174.4-73.7174.1166.200111.5L316 R317 F318 E322 F323 R329L316-E320 HydrophobicContact CD1-CG 4.49Å; L316-E320 HydrophobicContact CG-CG 4.49Å; L316-E320 WeakPolarHBondContact O-CG 3.43Å; L316-E320 PolarHBondContact O-N 2.94Å; R317-E320 PolarHBondContact O-N 3.43Å; F318-E320 VanDerWaalsContact C-N 3.32Å; F318-E320 PolarHBondContact O-N 2.71Å; E320-E322 PolarHBondContact O-N 3.47Å; E320-F323 PolarHBondContact O-N 2.66Å; E320-F323 VanDerWaalsContact O-N 3.16Å; E320-R329 IonicContact OE1-CZ 3.27Å; E320-R329 IonicContact OE1-NH2 2.82Å; E320-R329 PolarHBondContact OE1-NH2 3.07Å
321S94.8Very high96.5Very high83 Ų8346.4 Ų46.458%0.5822%0.216SC*.Hα-helixtrans-65.9-22175.6780000113.6R317 F318 L319R317-S321 PolarHBondContact O-N 2.99Å; F318-S321 WeakPolarHBondContact O-CB 3.46Å; F318-S321 PolarHBondContact O-N 3.28Å; F318-S321 VanDerWaalsContact O-N 3.14Å; F318-S321 PolarHBondContact O-OG 3.35Å; L319-S321 VanDerWaalsContact C-N 3.31Å; L319-S321 PolarHBondContact O-N 2.86Å
322E94.1Very high96.5Very high70 Ų7049 Ų4933%0.32723%0.23SC..THydrogen-bonded Turntrans-105.510.3176.8-62.5-171.6148.800112.9F318 L319 E320 S324 R405F318-E322 WeakPolarHBondContact CE1-OE2 3.48Å; F318-E322 HydrophobicContact CE2-CG 4.39Å; F318-E322 HydrophobicContact CZ-CG 4.33Å; F318-E322 WeakPolarHBondContact CZ-OE1 3.41Å; F318-E322 WeakPolarHBondContact CZ-OE2 3.49Å; F318-E322 PolarHBondContact O-N 3.15Å; L319-E322 CarbonylContact O-C 3.28Å; L319-E322 PolarHBondContact O-N 3.16Å; L319-E322 VanDerWaalsContact O-N 3.16Å; E320-E322 PolarHBondContact O-N 3.47Å; E322-S324 VanDerWaalsContact C-N 3.26Å; E322-S324 PolarHBondContact O-N 3.44Å; E322-R405 IonicContact OE1-NH1 3.38Å; E322-R405 PolarHBondContact OE1-NH1 3.31Å; E322-R405 IonicContact OE2-CZ 3.12Å; E322-R405 IonicContact OE2-NH1 3.93Å; E322-R405 PolarHBondContact OE2-NH1 3.21Å; E322-R405 IonicContact OE2-NH2 3.93Å
323F90.6Very high96.5Very high183 Ų18347.3 Ų47.380%0.80323%0.226SC*.THydrogen-bonded Turntrans52.340-178.3-54.3-86.6000113.9L319 E320L319-F323 PolarHBondContact O-N 3.21Å; E320-F323 PolarHBondContact O-N 2.66Å; E320-F323 VanDerWaalsContact O-N 3.16Å
324S94.1Very high96.6Very high16 Ų1644.4 Ų44.411%0.11221%0.21CC..  trans-13120.9-17860.10000114L319 E322 E326 N327L319-S324 PolarHBondContact O-N 3.22Å; L319-S324 PolarHBondContact O-OG 3.47Å; E322-S324 VanDerWaalsContact C-N 3.26Å; E322-S324 PolarHBondContact O-N 3.44Å; S324-E326 VanDerWaalsContact C-N 3.3Å; S324-E326 WeakPolarHBondContact CA-OE2 3.29Å; S324-E326 PolarHBondContact O-N 2.8Å; S324-N327 PolarHBondContact O-ND2 3.06Å
325S96.2Very high96.6Very high14 Ų1444.8 Ų44.810%0.09821%0.212CC..THydrogen-bonded Turntrans-70.7-20.1-17569.50000114.8N327 L328 R329S325-N327 PolarHBondContact O-N 3.46Å; S325-L328 PolarHBondContact O-N 3.37Å; S325-R329 WeakPolarHBondContact O-CG 3.27Å; S325-R329 PolarHBondContact O-N 2.83Å
326E96.9Very high96.5Very high43 Ų4347.7 Ų47.720%0.20123%0.228CC..Hα-helixtrans-56.6-36.2-179.666.4-70.5162.200112.3S324 L328 R329 F330 I365S324-E326 VanDerWaalsContact C-N 3.3Å; S324-E326 WeakPolarHBondContact CA-OE2 3.29Å; S324-E326 PolarHBondContact O-N 2.8Å; E326-L328 PolarHBondContact O-N 3.41Å; E326-R329 PolarHBondContact O-N 3.46Å; E326-F330 VanDerWaalsContact O-CB 3.31Å; E326-F330 WeakPolarHBondContact O-CB 3.39Å; E326-F330 PolarHBondContact O-N 3Å; E326-I365 HydrophobicContact CB-CG2 4.1Å; E326-I365 HydrophobicContact CG-CG2 3.88Å
327N96.4Very high96.5Very high13 Ų1345.9 Ų45.97%0.0722%0.218CC..Hα-helixtrans-62.9-45.9179.5-64.7-52.9000112.2S324 S325 W331 I394 M398S324-N327 PolarHBondContact O-ND2 3.06Å; S325-N327 PolarHBondContact O-N 3.46Å; N327-W331 WeakPolarHBondContact O-CB 3.29Å; N327-W331 PolarHBondContact O-N 3.24Å; N327-I394 HydrophobicContact CB-CG2 3.84Å; N327-I394 WeakPolarHBondContact O-CG2 3.22Å; N327-M398 HydrophobicContact CB-CG 3.93Å; N327-M398 HydrophobicContact CB-SD 3.85Å
328L97.4Very high96.6Very high0 Ų041.3 Ų41.30%020%0.202CC..Hα-helixtrans-71.6-39.9178.5-178.861.3000111.2L306 F315 L316 L319 S325 E326 W331 L332 M398L306-L328 HydrophobicContact CD2-CD1 3.59Å; F315-L328 HydrophobicContact CD1-CD1 4.3Å; F315-L328 HydrophobicContact CD1-CD2 3.66Å; F315-L328 HydrophobicContact CE1-CD1 4.42Å; F315-L328 HydrophobicContact CE1-CD2 4.23Å; F315-L328 HydrophobicContact CG-CD2 4.49Å; L316-L328 HydrophobicContact CB-CD2 3.82Å; L316-L328 HydrophobicContact CD1-CD2 4.02Å; L319-L328 HydrophobicContact CD1-CB 3.54Å; L319-L328 HydrophobicContact CD1-CD2 3.91Å; L319-L328 HydrophobicContact CD1-CG 4.36Å; S325-L328 PolarHBondContact O-N 3.37Å; E326-L328 PolarHBondContact O-N 3.41Å; L328-W331 PolarHBondContact O-N 3.34Å; L328-L332 HydrophobicContact CD1-CD1 4.22Å; L328-L332 HydrophobicContact CD1-CG 4.16Å; L328-L332 HydrophobicContact CG-CD1 3.96Å; L328-L332 HydrophobicContact CG-CG 4.34Å; L328-L332 WeakPolarHBondContact O-CB 3.47Å; L328-L332 VanDerWaalsContact O-CG 3.26Å; L328-L332 WeakPolarHBondContact O-CG 3.36Å; L328-L332 PolarHBondContact O-N 3.15Å; L328-M398 HydrophobicContact CB-SD 3.88Å; L328-M398 HydrophobicContact CD1-CE 4.33Å; L328-M398 HydrophobicContact CD1-SD 4.36Å
329R97.9Very high96.5Very high93 Ų9348.3 Ų48.335%0.35123%0.233SC..Hα-helixtrans-62.7-42.5177.2-69.9177.5-176.8-177.83.4111.9L316 E320 S325 E326 S333 F356L316-R329 HydrophobicContact CD1-CG 4.14Å; E320-R329 IonicContact OE1-CZ 3.27Å; E320-R329 IonicContact OE1-NH2 2.82Å; E320-R329 PolarHBondContact OE1-NH2 3.07Å; S325-R329 WeakPolarHBondContact O-CG 3.27Å; S325-R329 PolarHBondContact O-N 2.83Å; E326-R329 PolarHBondContact O-N 3.46Å; R329-S333 WeakPolarHBondContact O-CB 3.5Å; R329-S333 PolarHBondContact O-N 2.96Å; R329-S333 PolarHBondContact O-OG 3.45Å; R329-F356 HydrophobicContact CB-CE1 3.94Å; R329-F356 HydrophobicContact CB-CZ 3.93Å
330F98.3Very high96.5Very high0 Ų050.6 Ų50.60%024%0.243CC..Hα-helixtrans-59.5-52.4171.9171.3-104.5000110.8E326 L332 S333 V334 I352 F356 L357 I365 F387 A390 I394E326-F330 VanDerWaalsContact O-CB 3.31Å; E326-F330 WeakPolarHBondContact O-CB 3.39Å; E326-F330 PolarHBondContact O-N 3Å; F330-L332 VanDerWaalsContact C-N 3.31Å; F330-L332 PolarHBondContact O-N 3.25Å; F330-S333 WeakPolarHBondContact O-CB 3.47Å; F330-S333 PolarHBondContact O-N 3Å; F330-S333 VanDerWaalsContact O-N 3.08Å; F330-V334 HydrophobicContact CD2-CG2 4.23Å; F330-V334 HydrophobicContact CE1-CG2 4.13Å; F330-V334 HydrophobicContact CE2-CG2 3.78Å; F330-V334 HydrophobicContact CZ-CG2 3.73Å; F330-V334 WeakPolarHBondContact O-CG2 3.35Å; F330-V334 PolarHBondContact O-N 3.36Å; F330-I352 HydrophobicContact CD2-CG2 4.07Å; F330-I352 HydrophobicContact CE2-CG2 3.88Å; F330-F356 HydrophobicContact CB-CB 4.47Å; F330-F356 HydrophobicContact CB-CD1 3.72Å; F330-F356 HydrophobicContact CB-CD2 4.28Å; F330-F356 HydrophobicContact CB-CE1 3.99Å; F330-F356 HydrophobicContact CB-CG 3.9Å; F330-F356 HydrophobicContact CB-CZ 4.38Å; F330-F356 HydrophobicContact CD2-CB 3.67Å; F330-F356 HydrophobicContact CD2-CD1 4.41Å; F330-F356 AromaticContact CD2-CD2 3.83Å; F330-F356 HydrophobicContact CD2-CD2 3.83Å; F330-F356 AromaticContact CD2-CG 3.71Å; F330-F356 HydrophobicContact CD2-CG 3.71Å; F330-F356 HydrophobicContact CE2-CB 4.39Å; F330-F356 HydrophobicContact CG-CB 4.43Å; F330-F356 HydrophobicContact CG-CG 4.27Å; F330-L357 HydrophobicContact CE2-CD1 4.16Å; F330-L357 HydrophobicContact CZ-CD1 4.47Å; F330-I365 HydrophobicContact CB-CD1 4.32Å; F330-I365 HydrophobicContact CB-CG2 3.97Å; F330-I365 HydrophobicContact CD1-CD1 3.55Å; F330-I365 HydrophobicContact CD2-CD1 3.85Å; F330-I365 HydrophobicContact CE1-CD1 3.68Å; F330-I365 HydrophobicContact CE2-CD1 3.98Å; F330-I365 HydrophobicContact CG-CD1 3.63Å; F330-I365 HydrophobicContact CG-CG2 4.42Å; F330-I365 HydrophobicContact CZ-CD1 3.89Å; F330-F387 HydrophobicContact CE2-CD1 4.17Å; F330-F387 HydrophobicContact CZ-CB 4.19Å; F330-F387 HydrophobicContact CZ-CD1 4.27Å; F330-F387 HydrophobicContact CZ-CG 4.47Å; F330-A390 HydrophobicContact CE1-CB 4.11Å; F330-A390 HydrophobicContact CZ-CB 3.77Å; F330-I394 HydrophobicContact CD1-CB 4.24Å; F330-I394 HydrophobicContact CD1-CG1 3.9Å; F330-I394 HydrophobicContact CD1-CG2 4.28Å; F330-I394 HydrophobicContact CE1-CB 4.46Å; F330-I394 HydrophobicContact CE1-CG1 4Å
331W97.8Very high96.5Very high32 Ų3250 Ų5012%0.12125%0.247CC..Hα-helixtrans-58.1-43.6-178.1-175.492.5000112.2L306 N327 L328 V334 Q335 Q391 Y395 M398L306-W331 HydrophobicContact CB-CH2 4.27Å; L306-W331 HydrophobicContact CB-CZ3 4.4Å; L306-W331 HydrophobicContact CD1-CE3 4.42Å; L306-W331 HydrophobicContact CD1-CH2 3.82Å; L306-W331 HydrophobicContact CD1-CZ2 3.95Å; L306-W331 HydrophobicContact CD1-CZ3 4.06Å; L306-W331 HydrophobicContact CD2-CE3 4.44Å; L306-W331 HydrophobicContact CD2-CZ3 4.2Å; L306-W331 HydrophobicContact CG-CZ3 4.47Å; N327-W331 WeakPolarHBondContact O-CB 3.29Å; N327-W331 PolarHBondContact O-N 3.24Å; L328-W331 PolarHBondContact O-N 3.34Å; W331-V334 PolarHBondContact O-N 2.87Å; W331-Q335 HydrophobicContact CD2-CG 4.01Å; W331-Q335 HydrophobicContact CE3-CG 3.8Å; W331-Q335 HydrophobicContact CH2-CG 3.54Å; W331-Q335 HydrophobicContact CZ2-CG 3.74Å; W331-Q335 HydrophobicContact CZ3-CG 3.58Å; W331-Q335 WeakPolarHBondContact O-CG 3.48Å; W331-Q335 PolarHBondContact O-N 3.28Å; W331-Q391 HydrophobicContact CG-CG 4.23Å; W331-Q391 PolarHBondContact O-NE2 3Å; W331-Q391 VanDerWaalsContact O-NE2 3.14Å; W331-Y395 HydrophobicContact CZ2-CD2 4.29Å; W331-Y395 AromaticContact NE1-CD2 3.62Å; W331-M398 HydrophobicContact CB-CE 3.78Å; W331-M398 HydrophobicContact CG-CE 4.08Å
332L97.5Very high96.6Very high56 Ų5652.6 Ų52.629%0.29325%0.253SS..Hα-helixtrans-65.5-39.3176.2-70171.9000112.2L328 F330 V334 Q335 D336L328-L332 HydrophobicContact CD1-CD1 4.22Å; L328-L332 HydrophobicContact CD1-CG 4.16Å; L328-L332 HydrophobicContact CG-CD1 3.96Å; L328-L332 HydrophobicContact CG-CG 4.34Å; L328-L332 WeakPolarHBondContact O-CB 3.47Å; L328-L332 VanDerWaalsContact O-CG 3.26Å; L328-L332 WeakPolarHBondContact O-CG 3.36Å; L328-L332 PolarHBondContact O-N 3.15Å; F330-L332 VanDerWaalsContact C-N 3.31Å; F330-L332 PolarHBondContact O-N 3.25Å; L332-V334 VanDerWaalsContact C-N 3.32Å; L332-V334 PolarHBondContact O-N 3.45Å; L332-Q335 WeakPolarHBondContact O-CB 3.35Å; L332-Q335 PolarHBondContact O-N 3.38Å; L332-D336 WeakPolarHBondContact O-CB 3.4Å; L332-D336 PolarHBondContact O-N 2.93Å
333S97.9Very high96.7Very high15 Ų1557 Ų5711%0.10527%0.274CS..Hα-helixtrans-63.8-38.3176.6-62.60000112R329 F330 D336 L337 I352R329-S333 WeakPolarHBondContact O-CB 3.5Å; R329-S333 PolarHBondContact O-N 2.96Å; R329-S333 PolarHBondContact O-OG 3.45Å; F330-S333 WeakPolarHBondContact O-CB 3.47Å; F330-S333 PolarHBondContact O-N 3Å; F330-S333 VanDerWaalsContact O-N 3.08Å; S333-D336 PolarHBondContact O-N 2.79Å; S333-L337 PolarHBondContact O-N 3.15Å; S333-I352 WeakPolarHBondContact O-CD1 3.48Å
334V97.9Very high97Very high0 Ų051.1 Ų51.10%025%0.25CS..Hα-helixtrans-70.1-37173.9179.70000111.6F330 W331 L332 D336 L337 K338 I352 F387 Q391F330-V334 HydrophobicContact CD2-CG2 4.23Å; F330-V334 HydrophobicContact CE1-CG2 4.13Å; F330-V334 HydrophobicContact CE2-CG2 3.78Å; F330-V334 HydrophobicContact CZ-CG2 3.73Å; F330-V334 WeakPolarHBondContact O-CG2 3.35Å; F330-V334 PolarHBondContact O-N 3.36Å; W331-V334 PolarHBondContact O-N 2.87Å; L332-V334 VanDerWaalsContact C-N 3.32Å; L332-V334 PolarHBondContact O-N 3.45Å; V334-D336 VanDerWaalsContact C-N 3.3Å; V334-D336 PolarHBondContact O-N 3.4Å; V334-L337 WeakPolarHBondContact O-CB 3.41Å; V334-L337 PolarHBondContact O-N 3.06Å; V334-K338 WeakPolarHBondContact O-CG 3.43Å; V334-K338 PolarHBondContact O-N 3.11Å; V334-I352 HydrophobicContact CG2-CG2 4.36Å; V334-F387 HydrophobicContact CB-CB 4.44Å; V334-F387 HydrophobicContact CG1-CB 3.86Å; V334-F387 HydrophobicContact CG2-CB 3.63Å; V334-F387 HydrophobicContact CG2-CD2 4.1Å; V334-F387 HydrophobicContact CG2-CG 3.98Å; V334-Q391 HydrophobicContact CB-CB 4.48Å; V334-Q391 HydrophobicContact CB-CG 4.35Å; V334-Q391 HydrophobicContact CG1-CB 4.04Å; V334-Q391 VanDerWaalsContact CG1-CD 3.42Å; V334-Q391 HydrophobicContact CG1-CG 4.15Å
335Q97.1Very high97.1Very high51 Ų5150.5 Ų50.524%0.23825%0.246CC..Hα-helixtrans-62.7-37.7172.3-72.5-60.9-37.900112.4W331 L332W331-Q335 HydrophobicContact CD2-CG 4.01Å; W331-Q335 HydrophobicContact CE3-CG 3.8Å; W331-Q335 HydrophobicContact CH2-CG 3.54Å; W331-Q335 HydrophobicContact CZ2-CG 3.74Å; W331-Q335 HydrophobicContact CZ3-CG 3.58Å; W331-Q335 WeakPolarHBondContact O-CG 3.48Å; W331-Q335 PolarHBondContact O-N 3.28Å; L332-Q335 WeakPolarHBondContact O-CB 3.35Å; L332-Q335 PolarHBondContact O-N 3.38Å
336D97.1Very high97.1Very high61 Ų6153 Ų5333%0.32627%0.268SS..Hα-helixtrans-67.2-46174.7178.170.1000111.5L332 S333 V334 K338 K339 Q340 R348L332-D336 WeakPolarHBondContact O-CB 3.4Å; L332-D336 PolarHBondContact O-N 2.93Å; S333-D336 PolarHBondContact O-N 2.79Å; V334-D336 VanDerWaalsContact C-N 3.3Å; V334-D336 PolarHBondContact O-N 3.4Å; D336-K338 PolarHBondContact O-N 3.19Å; D336-K339 WeakPolarHBondContact O-CA 3.16Å; D336-K339 WeakPolarHBondContact O-CB 3.41Å; D336-K339 PolarHBondContact O-N 3.16Å; D336-Q340 VanDerWaalsContact CG-NE2 3.33Å; D336-Q340 PolarHBondContact O-N 3.03Å; D336-Q340 VanDerWaalsContact O-N 3.16Å; D336-Q340 PolarHBondContact OD1-NE2 3.26Å; D336-Q340 PolarHBondContact OD2-NE2 3.44Å; D336-R348 IonicContact OD2-NE 2.95Å; D336-R348 PolarHBondContact OD2-NE 2.89Å; D336-R348 IonicContact OD2-NH2 3.19Å
337L97.9Very high97.1Very high0 Ų057.6 Ų57.60%029%0.287CS..Hα-helixtrans-50.2-44.7174.9173.767.8000112.3S333 V334 K339 Q340 V345 R348 V349 I352 F387S333-L337 PolarHBondContact O-N 3.15Å; V334-L337 WeakPolarHBondContact O-CB 3.41Å; V334-L337 PolarHBondContact O-N 3.06Å; L337-K339 PolarHBondContact O-N 3.13Å; L337-K339 VanDerWaalsContact O-N 3.14Å; L337-Q340 PolarHBondContact O-N 2.76Å; L337-V345 HydrophobicContact CD1-CB 4.49Å; L337-V345 HydrophobicContact CD1-CG1 4.11Å; L337-R348 HydrophobicContact CB-CG 4.23Å; L337-R348 HydrophobicContact CD1-CB 3.68Å; L337-R348 HydrophobicContact CD1-CG 3.69Å; L337-V349 HydrophobicContact CD1-CG2 3.9Å; L337-V349 HydrophobicContact CD2-CG2 3.84Å; L337-I352 HydrophobicContact CB-CD1 3.88Å; L337-I352 HydrophobicContact CD2-CD1 4.24Å; L337-F387 HydrophobicContact CD2-CD2 3.59Å; L337-F387 HydrophobicContact CD2-CE2 3.8Å
338K97.2Very high97.1Very high44 Ų4459.3 Ų59.319%0.19129%0.293CS..THydrogen-bonded Turntrans-60.7-23.1179.3-73.5173.9175.7-177.50113.1V334 D336 R384 E388V334-K338 WeakPolarHBondContact O-CG 3.43Å; V334-K338 PolarHBondContact O-N 3.11Å; D336-K338 PolarHBondContact O-N 3.19Å; K338-R384 WeakPolarHBondContact CG-O 3.42Å; K338-R384 PolarHBondContact O-NH1 3.29Å; K338-E388 WeakPolarHBondContact CE-OE2 3.38Å; K338-E388 IonicContact NZ-OE1 3.79Å; K338-E388 PolarHBondContact NZ-OE1 2.89Å; K338-E388 IonicContact NZ-OE2 3.72Å; K338-E388 PolarHBondContact NZ-OE2 2.94Å
339K96.6Very high97.1Very high163 Ų16359.5 Ų59.571%0.70929%0.293SS*.THydrogen-bonded Turntrans-99.4-12.4-178.7-61.5172.6-172.6173.30113.6D336 L337D336-K339 WeakPolarHBondContact O-CA 3.16Å; D336-K339 WeakPolarHBondContact O-CB 3.41Å; D336-K339 PolarHBondContact O-N 3.16Å; L337-K339 PolarHBondContact O-N 3.13Å; L337-K339 VanDerWaalsContact O-N 3.14Å
340Q96.8Very high97.1Very high48 Ų4859.4 Ų59.422%0.22430%0.297CS..SBendtrans-61.7151.8-179-70.4-59.3-28.800112.7D336 L337 V345 R348 R384D336-Q340 VanDerWaalsContact CG-NE2 3.33Å; D336-Q340 PolarHBondContact O-N 3.03Å; D336-Q340 VanDerWaalsContact O-N 3.16Å; D336-Q340 PolarHBondContact OD1-NE2 3.26Å; D336-Q340 PolarHBondContact OD2-NE2 3.44Å; L337-Q340 PolarHBondContact O-N 2.76Å; Q340-V345 HydrophobicContact CB-CG2 4.37Å; Q340-R348 HydrophobicContact CG-CG 4.26Å; Q340-R384 PolarHBondContact O-NH1 3Å; Q340-R384 PolarHBondContact O-NH2 2.88Å
341P96.8Very high97Very high66 Ų6662.8 Ų62.843%0.42931%0.313SS..  trans-59.1147.9166.6-21.534.2000111.2Q343 D344 V345P341-Q343 HydrophobicContact CB-CG 4.22Å; P341-Q343 PolarHBondContact O-N 2.84Å; P341-Q343 VanDerWaalsContact O-N 3.12Å; P341-D344 PolarHBondContact O-N 2.9Å; P341-V345 PolarHBondContact O-N 3.31Å
342L96.1Very high97Very high137 Ų13761.3 Ų61.372%0.71731%0.307SS*.Hα-helixtrans-57.5-33.8-173.4-175.163.4000113.2D344 V345L342-D344 VanDerWaalsContact C-N 3.25Å; L342-D344 PolarHBondContact O-N 3.25Å; L342-V345 PolarHBondContact O-N 3.47Å
343Q96.1Very high97Very high162 Ų16260 Ų6076%0.75730%0.298SS*.Hα-helixtrans-63.7-27.8178.570.6-171.118.200113.6P341P341-Q343 HydrophobicContact CB-CG 4.22Å; P341-Q343 PolarHBondContact O-N 2.84Å; P341-Q343 VanDerWaalsContact O-N 3.12Å
344D96.4Very high97Very high59 Ų5963.9 Ų63.932%0.31632%0.315SS..Hα-helixtrans-96.4-13.3-175.1-59.5-51.1000112.2P341 L342 A346 K347 R348P341-D344 PolarHBondContact O-N 2.9Å; L342-D344 VanDerWaalsContact C-N 3.25Å; L342-D344 PolarHBondContact O-N 3.25Å; D344-A346 PolarHBondContact O-N 3.3Å; D344-K347 PolarHBondContact O-N 2.84Å; D344-R348 WeakPolarHBondContact O-CB 3.43Å; D344-R348 PolarHBondContact O-N 2.85Å
345V97.1Very high97Very high3 Ų367 Ų672%0.01833%0.33CS..Hα-helixtrans-56.8-49.5-176.5168.90000111.6L337 Q340 P341 L342 K347 R348 V349 R384L337-V345 HydrophobicContact CD1-CB 4.49Å; L337-V345 HydrophobicContact CD1-CG1 4.11Å; Q340-V345 HydrophobicContact CB-CG2 4.37Å; P341-V345 PolarHBondContact O-N 3.31Å; L342-V345 PolarHBondContact O-N 3.47Å; V345-K347 VanDerWaalsContact C-N 3.34Å; V345-K347 PolarHBondContact O-N 3.02Å; V345-R348 PolarHBondContact O-N 2.76Å; V345-V349 HydrophobicContact CG1-CG2 4.33Å; V345-V349 WeakPolarHBondContact O-CG2 3.36Å; V345-V349 PolarHBondContact O-N 3.12Å; V345-R384 HydrophobicContact CG1-CG 4.39Å; V345-R384 HydrophobicContact CG2-CG 3.97Å
346A95.6Very high97Very high67 Ų6764.6 Ų64.655%0.55432%0.318SS*.Hα-helixtrans-61.4-43.3-17700000112D344 V349 E350D344-A346 PolarHBondContact O-N 3.3Å; A346-V349 PolarHBondContact O-N 3.29Å; A346-E350 PolarHBondContact O-N 3Å
347K96.1Very high97Very high140 Ų14062.2 Ų62.261%0.60931%0.305SS*.Hα-helixtrans-63.6-45.5176-172.5-169.1177.8-146.20111.1D344 V345 V349 E350 E351D344-K347 PolarHBondContact O-N 2.84Å; V345-K347 VanDerWaalsContact C-N 3.34Å; V345-K347 PolarHBondContact O-N 3.02Å; K347-V349 VanDerWaalsContact C-N 3.31Å; K347-V349 PolarHBondContact O-N 3.48Å; K347-E350 PolarHBondContact O-N 2.95Å; K347-E351 WeakPolarHBondContact CE-OE1 3.4Å; K347-E351 IonicContact NZ-OE1 2.72Å; K347-E351 PolarHBondContact NZ-OE1 3.26Å; K347-E351 WeakPolarHBondContact O-CG 3.45Å; K347-E351 PolarHBondContact O-N 2.97Å
348R97.7Very high96.8Very high49 Ų4962.5 Ų62.519%0.18531%0.308CS..Hα-helixtrans-65.6-34.2-179.2-171.863.8176142.59.4112.2D336 L337 Q340 D344 V345 E351 I352D336-R348 IonicContact OD2-NE 2.95Å; D336-R348 PolarHBondContact OD2-NE 2.89Å; D336-R348 IonicContact OD2-NH2 3.19Å; L337-R348 HydrophobicContact CB-CG 4.23Å; L337-R348 HydrophobicContact CD1-CB 3.68Å; L337-R348 HydrophobicContact CD1-CG 3.69Å; Q340-R348 HydrophobicContact CG-CG 4.26Å; D344-R348 WeakPolarHBondContact O-CB 3.43Å; D344-R348 PolarHBondContact O-N 2.85Å; V345-R348 PolarHBondContact O-N 2.76Å; R348-E351 WeakPolarHBondContact CD-OE2 3.48Å; R348-E351 IonicContact NH1-OE2 3.85Å; R348-E351 PolarHBondContact NH1-OE2 3.26Å; R348-E351 VanDerWaalsContact NH1-OE2 3.12Å; R348-E351 PolarHBondContact O-N 3.38Å; R348-I352 HydrophobicContact CG-CD1 4.04Å; R348-I352 VanDerWaalsContact O-CG1 3.26Å; R348-I352 WeakPolarHBondContact O-CG1 3.26Å; R348-I352 PolarHBondContact O-N 3.27Å
349V97.8Very high96.6Very high3 Ų366 Ų662%0.01834%0.335CS..Hα-helixtrans-59.9-48.2172.7167.30000110.8L337 V345 A346 K347 E351 I352 W353 V379 T386 F387L337-V349 HydrophobicContact CD1-CG2 3.9Å; L337-V349 HydrophobicContact CD2-CG2 3.84Å; V345-V349 HydrophobicContact CG1-CG2 4.33Å; V345-V349 WeakPolarHBondContact O-CG2 3.36Å; V345-V349 PolarHBondContact O-N 3.12Å; A346-V349 PolarHBondContact O-N 3.29Å; K347-V349 VanDerWaalsContact C-N 3.31Å; K347-V349 PolarHBondContact O-N 3.48Å; V349-E351 PolarHBondContact O-N 3.21Å; V349-I352 PolarHBondContact O-N 3.03Å; V349-W353 WeakPolarHBondContact O-CB 3.18Å; V349-W353 PolarHBondContact O-N 3.4Å; V349-V379 HydrophobicContact CG1-CB 4.48Å; V349-V379 HydrophobicContact CG1-CG1 4.17Å; V349-V379 HydrophobicContact CG1-CG2 4.14Å; V349-T386 HydrophobicContact CG1-CG2 3.96Å; V349-F387 HydrophobicContact CB-CE2 4.26Å; V349-F387 HydrophobicContact CG1-CE2 4.04Å; V349-F387 HydrophobicContact CG1-CZ 3.99Å; V349-F387 HydrophobicContact CG2-CE2 4.14Å; V349-F387 WeakPolarHBondContact O-CZ 3.43Å
350E96.5Very high96.4Very high91 Ų9162.2 Ų62.243%0.42534%0.342SS..Hα-helixtrans-62.3-44.5178.8-17261.2-146.200111.6A346 K347 I352 W353 Q354A346-E350 PolarHBondContact O-N 3Å; K347-E350 PolarHBondContact O-N 2.95Å; E350-I352 PolarHBondContact O-N 3.03Å; E350-W353 PolarHBondContact O-N 3.29Å; E350-Q354 HydrophobicContact CG-CG 4.41Å; E350-Q354 VanDerWaalsContact O-CG 3.3Å; E350-Q354 WeakPolarHBondContact O-CG 2.94Å; E350-Q354 PolarHBondContact O-N 2.89Å; E350-Q354 WeakPolarHBondContact OE1-CG 3Å; E350-Q354 PolarHBondContact OE1-NE2 3.36Å
351E97.4Very high96.3Very high72 Ų7260.6 Ų60.634%0.33634%0.337SS..Hα-helixtrans-57.1-47.6177.1-70.9171.4-177.400112K347 R348 V349 Q354 E355K347-E351 WeakPolarHBondContact CE-OE1 3.4Å; K347-E351 IonicContact NZ-OE1 2.72Å; K347-E351 PolarHBondContact NZ-OE1 3.26Å; K347-E351 WeakPolarHBondContact O-CG 3.45Å; K347-E351 PolarHBondContact O-N 2.97Å; R348-E351 WeakPolarHBondContact CD-OE2 3.48Å; R348-E351 IonicContact NH1-OE2 3.85Å; R348-E351 PolarHBondContact NH1-OE2 3.26Å; R348-E351 VanDerWaalsContact NH1-OE2 3.12Å; R348-E351 PolarHBondContact O-N 3.38Å; V349-E351 PolarHBondContact O-N 3.21Å; E351-Q354 PolarHBondContact O-N 3.33Å; E351-E355 WeakPolarHBondContact O-CB 3.45Å; E351-E355 PolarHBondContact O-N 2.97Å
352I98Very high96.2Very high0 Ų062.7 Ų62.70%035%0.351CS..Hα-helixtrans-65.4-41.1179.1-67.2169.9000110.9F330 S333 V334 L337 R348 V349 E350 E355 F356 F387F330-I352 HydrophobicContact CD2-CG2 4.07Å; F330-I352 HydrophobicContact CE2-CG2 3.88Å; S333-I352 WeakPolarHBondContact O-CD1 3.48Å; V334-I352 HydrophobicContact CG2-CG2 4.36Å; L337-I352 HydrophobicContact CB-CD1 3.88Å; L337-I352 HydrophobicContact CD2-CD1 4.24Å; R348-I352 HydrophobicContact CG-CD1 4.04Å; R348-I352 VanDerWaalsContact O-CG1 3.26Å; R348-I352 WeakPolarHBondContact O-CG1 3.26Å; R348-I352 PolarHBondContact O-N 3.27Å; V349-I352 PolarHBondContact O-N 3.03Å; E350-I352 PolarHBondContact O-N 3.03Å; I352-E355 PolarHBondContact O-N 3.46Å; I352-F356 HydrophobicContact CG2-CD2 4.08Å; I352-F356 WeakPolarHBondContact O-CD2 3.2Å; I352-F356 PolarHBondContact O-N 2.72Å; I352-F356 VanDerWaalsContact O-N 3.12Å; I352-F387 HydrophobicContact CB-CE2 3.9Å; I352-F387 HydrophobicContact CB-CZ 3.88Å; I352-F387 HydrophobicContact CD1-CE2 4.27Å; I352-F387 HydrophobicContact CG2-CD1 4.39Å; I352-F387 HydrophobicContact CG2-CD2 4.17Å; I352-F387 HydrophobicContact CG2-CE1 4.01Å; I352-F387 HydrophobicContact CG2-CE2 3.74Å; I352-F387 HydrophobicContact CG2-CG 4.48Å; I352-F387 HydrophobicContact CG2-CZ 3.66Å
353W97.1Very high96.1Very high28 Ų2857.6 Ų57.611%0.10633%0.327CS..Hα-helixtrans-60-49.7176.6176.1-100.3000111V349 E350 E355 L357 A358 Y372 T375 V379 F387V349-W353 WeakPolarHBondContact O-CB 3.18Å; V349-W353 PolarHBondContact O-N 3.4Å; E350-W353 PolarHBondContact O-N 3.29Å; W353-E355 VanDerWaalsContact C-N 3.34Å; W353-E355 PolarHBondContact O-N 3.24Å; W353-L357 HydrophobicContact CD2-CB 4.13Å; W353-L357 HydrophobicContact CE3-CB 3.59Å; W353-L357 HydrophobicContact CE3-CD1 3.94Å; W353-L357 HydrophobicContact CE3-CG 4.42Å; W353-L357 HydrophobicContact CH2-CB 4.37Å; W353-L357 HydrophobicContact CZ3-CB 3.74Å; W353-L357 HydrophobicContact CZ3-CD1 4.04Å; W353-L357 CarbonylContact O-C 3.55Å; W353-L357 PolarHBondContact O-N 3Å; W353-A358 PolarHBondContact O-N 3.34Å; W353-Y372 HydrophobicContact CH2-CE2 4.05Å; W353-Y372 AromaticContact CH2-CZ 3.91Å; W353-T375 HydrophobicContact CE3-CG2 4.41Å; W353-T375 HydrophobicContact CZ3-CG2 4.15Å; W353-V379 HydrophobicContact CB-CG1 4.49Å; W353-V379 HydrophobicContact CD2-CG1 4.39Å; W353-V379 HydrophobicContact CD2-CG2 4.2Å; W353-V379 HydrophobicContact CE3-CG2 3.72Å; W353-V379 HydrophobicContact CG-CG1 4.29Å; W353-V379 HydrophobicContact CZ3-CG2 4.3Å; W353-F387 HydrophobicContact CB-CZ 4.38Å; W353-F387 HydrophobicContact CE3-CE1 4.43Å
354Q97.4Very high96Very high97 Ų9753 Ų5345%0.45332%0.316SS..Hα-helixtrans-65.1-34.7-179.3-65.8-60.8-27.800113.2E350 E351 A361 P362E350-Q354 HydrophobicContact CG-CG 4.41Å; E350-Q354 VanDerWaalsContact O-CG 3.3Å; E350-Q354 WeakPolarHBondContact O-CG 2.94Å; E350-Q354 PolarHBondContact O-N 2.89Å; E350-Q354 WeakPolarHBondContact OE1-CG 3Å; E350-Q354 PolarHBondContact OE1-NE2 3.36Å; E351-Q354 PolarHBondContact O-N 3.33Å; Q354-A361 WeakPolarHBondContact O-CB 3.31Å; Q354-P362 WeakPolarHBondContact O-CD 3.25Å
355E97.8Very high96Very high66 Ų6651 Ų5131%0.30831%0.305SS..Hα-helixtrans-75.8-37.5-177.9-173.4176.3175.700113.4E351 I352 W353 A361 P362 S363E351-E355 WeakPolarHBondContact O-CB 3.45Å; E351-E355 PolarHBondContact O-N 2.97Å; I352-E355 PolarHBondContact O-N 3.46Å; W353-E355 VanDerWaalsContact C-N 3.34Å; W353-E355 PolarHBondContact O-N 3.24Å; E355-A361 WeakPolarHBondContact O-CB 3.4Å; E355-P362 WeakPolarHBondContact O-CD 3.4Å; E355-S363 CarbonylContact O-C 3.51Å; E355-S363 PolarHBondContact O-N 2.72Å
356F97.6Very high95.6Very high1 Ų157 Ų570%0.00434%0.338CS..Hα-helixtrans-120-23.5-167.1-61.5-75.7000115.7R329 F330 I352 S363 A364 I365R329-F356 HydrophobicContact CB-CE1 3.94Å; R329-F356 HydrophobicContact CB-CZ 3.93Å; F330-F356 HydrophobicContact CB-CB 4.47Å; F330-F356 HydrophobicContact CB-CD1 3.72Å; F330-F356 HydrophobicContact CB-CD2 4.28Å; F330-F356 HydrophobicContact CB-CE1 3.99Å; F330-F356 HydrophobicContact CB-CG 3.9Å; F330-F356 HydrophobicContact CB-CZ 4.38Å; F330-F356 HydrophobicContact CD2-CB 3.67Å; F330-F356 HydrophobicContact CD2-CD1 4.41Å; F330-F356 AromaticContact CD2-CD2 3.83Å; F330-F356 HydrophobicContact CD2-CD2 3.83Å; F330-F356 AromaticContact CD2-CG 3.71Å; F330-F356 HydrophobicContact CD2-CG 3.71Å; F330-F356 HydrophobicContact CE2-CB 4.39Å; F330-F356 HydrophobicContact CG-CB 4.43Å; F330-F356 HydrophobicContact CG-CG 4.27Å; I352-F356 HydrophobicContact CG2-CD2 4.08Å; I352-F356 WeakPolarHBondContact O-CD2 3.2Å; I352-F356 PolarHBondContact O-N 2.72Å; I352-F356 VanDerWaalsContact O-N 3.12Å; F356-S363 VanDerWaalsContact CD1-O 3.28Å; F356-S363 WeakPolarHBondContact CD1-O 3.43Å; F356-A364 WeakPolarHBondContact O-CA 3.49Å; F356-I365 HydrophobicContact CB-CG1 4.36Å; F356-I365 HydrophobicContact CB-CG2 4.4Å; F356-I365 HydrophobicContact CD1-CG2 4.05Å; F356-I365 WeakPolarHBondContact O-CG1 3.39Å; F356-I365 PolarHBondContact O-N 3.34Å
357L96.3Very high95.5Very high10 Ų1054.9 Ų54.95%0.05232%0.317CS..THydrogen-bonded Turntrans-129.5-24.2-168-69.3175.9000115.1F330 W353 I365 L367 Y372 T375 F387F330-L357 HydrophobicContact CE2-CD1 4.16Å; F330-L357 HydrophobicContact CZ-CD1 4.47Å; W353-L357 HydrophobicContact CD2-CB 4.13Å; W353-L357 HydrophobicContact CE3-CB 3.59Å; W353-L357 HydrophobicContact CE3-CD1 3.94Å; W353-L357 HydrophobicContact CE3-CG 4.42Å; W353-L357 HydrophobicContact CH2-CB 4.37Å; W353-L357 HydrophobicContact CZ3-CB 3.74Å; W353-L357 HydrophobicContact CZ3-CD1 4.04Å; W353-L357 CarbonylContact O-C 3.55Å; W353-L357 PolarHBondContact O-N 3Å; L357-I365 HydrophobicContact CD2-CD1 3.78Å; L357-I365 HydrophobicContact CD2-CG1 3.55Å; L357-I365 HydrophobicContact CG-CD1 4.4Å; L357-I365 HydrophobicContact CG-CG1 4.34Å; L357-L367 HydrophobicContact CD1-CD1 4.3Å; L357-L367 HydrophobicContact CD2-CD1 3.38Å; L357-L367 HydrophobicContact CD2-CG 4.11Å; L357-L367 HydrophobicContact CG-CD1 4.48Å; L357-Y372 HydrophobicContact CB-CE2 4.48Å; L357-Y372 HydrophobicContact CD2-CD2 4.32Å; L357-Y372 WeakPolarHBondContact O-CE2 3.44Å; L357-Y372 PolarHBondContact O-OH 2.8Å; L357-T375 HydrophobicContact CD1-CG2 3.81Å; L357-F387 HydrophobicContact CD1-CD1 4.01Å; L357-F387 HydrophobicContact CD1-CE1 3.96Å
358A94.4Very high95.2Very high7 Ų751.4 Ų51.46%0.05830%0.304CS..SBendtrans-60.3151.3178.500000111.6W353 G360 A361W353-A358 PolarHBondContact O-N 3.34Å; A358-G360 PolarHBondContact O-N 2.94Å; A358-G360 VanDerWaalsContact O-N 3.11Å; A358-A361 WeakPolarHBondContact O-CB 3.4Å; A358-A361 PolarHBondContact O-N 3Å
359P92.4Very high94.9Very high118 Ų11853.3 Ų53.377%0.76633%0.325SS*.THydrogen-bonded Turntrans-56.6119.7173.1-24.334.2000111.1
360G92.4Very high94.6Very high83 Ų8358.8 Ų58.886%0.85635%0.351SS*.THydrogen-bonded Turntrans80.517.9-175.500000114.7A358A358-G360 PolarHBondContact O-N 2.94Å; A358-G360 VanDerWaalsContact O-N 3.11Å
361A95.3Very high94.5Very high14 Ų1455 Ų5512%0.11633%0.334CS..  trans-52.9136.9175.800000112.1Q354 E355 A358 S363 A364Q354-A361 WeakPolarHBondContact O-CB 3.31Å; E355-A361 WeakPolarHBondContact O-CB 3.4Å; A358-A361 WeakPolarHBondContact O-CB 3.4Å; A358-A361 PolarHBondContact O-N 3Å; A361-S363 PolarHBondContact O-N 3.1Å; A361-A364 HydrophobicContact CB-CB 4.16Å; A361-A364 PolarHBondContact O-N 2.91Å
362P94.3Very high94.3Very high110 Ų11055.3 Ų55.371%0.71433%0.332SS*.THydrogen-bonded Turntrans-66.7-24.4-17627.4-35.6000113.4Q354 E355Q354-P362 WeakPolarHBondContact O-CD 3.25Å; E355-P362 WeakPolarHBondContact O-CD 3.4Å
363S95.1Very high94.1Very high30 Ų3060.7 Ų60.721%0.2136%0.358CS..THydrogen-bonded Turntrans-127.948.8176.3-67.10000110.3E355 F356 A361 I365E355-S363 CarbonylContact O-C 3.51Å; E355-S363 PolarHBondContact O-N 2.72Å; F356-S363 VanDerWaalsContact CD1-O 3.28Å; F356-S363 WeakPolarHBondContact CD1-O 3.43Å; A361-S363 PolarHBondContact O-N 3.1Å; S363-I365 PolarHBondContact O-N 3.45Å
364A94.3Very high93.9Very high64 Ų6461.3 Ų61.353%0.52936%0.363SS..  trans-54.4121.5-176.700000112.5F356 A361F356-A364 WeakPolarHBondContact O-CA 3.49Å; A361-A364 HydrophobicContact CB-CB 4.16Å; A361-A364 PolarHBondContact O-N 2.91Å
365I95.3Very high93.7Very high17 Ų1756.7 Ų56.79%0.08734%0.341CS..  trans-88.9152.1175.259.2166.1000111.1E326 F330 F356 L357 S363 L367 I394E326-I365 HydrophobicContact CB-CG2 4.1Å; E326-I365 HydrophobicContact CG-CG2 3.88Å; F330-I365 HydrophobicContact CB-CD1 4.32Å; F330-I365 HydrophobicContact CB-CG2 3.97Å; F330-I365 HydrophobicContact CD1-CD1 3.55Å; F330-I365 HydrophobicContact CD2-CD1 3.85Å; F330-I365 HydrophobicContact CE1-CD1 3.68Å; F330-I365 HydrophobicContact CE2-CD1 3.98Å; F330-I365 HydrophobicContact CG-CD1 3.63Å; F330-I365 HydrophobicContact CG-CG2 4.42Å; F330-I365 HydrophobicContact CZ-CD1 3.89Å; F356-I365 HydrophobicContact CB-CG1 4.36Å; F356-I365 HydrophobicContact CB-CG2 4.4Å; F356-I365 HydrophobicContact CD1-CG2 4.05Å; F356-I365 WeakPolarHBondContact O-CG1 3.39Å; F356-I365 PolarHBondContact O-N 3.34Å; L357-I365 HydrophobicContact CD2-CD1 3.78Å; L357-I365 HydrophobicContact CD2-CG1 3.55Å; L357-I365 HydrophobicContact CG-CD1 4.4Å; L357-I365 HydrophobicContact CG-CG1 4.34Å; S363-I365 PolarHBondContact O-N 3.45Å; I365-L367 HydrophobicContact CD1-CD1 4.03Å; I365-L367 HydrophobicContact CD1-CD2 4.09Å; I365-L367 HydrophobicContact CD1-CG 3.84Å; I365-L367 HydrophobicContact CG1-CG 4.18Å; I365-I394 HydrophobicContact CB-CD1 4.3Å; I365-I394 HydrophobicContact CD1-CD1 3.94Å; I365-I394 HydrophobicContact CD1-CG1 3.81Å
366N89.8Confident93.5Very high131 Ų13155.5 Ų55.570%0.70134%0.34SS*.  trans-86.8113.1174.1-17016.6000110.1
367L91.9Very high93.3Very high22 Ų2261.6 Ų61.612%0.11537%0.369CS..  trans-119.7149.9174.4-73.6-176000110.6L357 I365 A390 H393 I394L357-L367 HydrophobicContact CD1-CD1 4.3Å; L357-L367 HydrophobicContact CD2-CD1 3.38Å; L357-L367 HydrophobicContact CD2-CG 4.11Å; L357-L367 HydrophobicContact CG-CD1 4.48Å; I365-L367 HydrophobicContact CD1-CD1 4.03Å; I365-L367 HydrophobicContact CD1-CD2 4.09Å; I365-L367 HydrophobicContact CD1-CG 3.84Å; I365-L367 HydrophobicContact CG1-CG 4.18Å; L367-A390 HydrophobicContact CD1-CB 3.61Å; L367-A390 HydrophobicContact CD2-CB 4.22Å; L367-H393 HydrophobicContact CD2-CB 4.16Å; L367-I394 HydrophobicContact CD2-CD1 3.71Å; L367-I394 HydrophobicContact CD2-CG1 3.71Å
368D91.2Very high93.1Very high66 Ų6664 Ų6435%0.35338%0.381SS..  trans-65.5155.916764.124.1000111.8H370 S371 Y372 H393D368-H370 PolarHBondContact O-N 2.97Å; D368-S371 PolarHBondContact O-N 3.26Å; D368-S371 WeakPolarHBondContact OD1-CB 3.5Å; D368-S371 PolarHBondContact OD1-N 3.47Å; D368-S371 PolarHBondContact OD1-OG 3.49Å; D368-Y372 WeakPolarHBondContact O-CB 3.27Å; D368-Y372 PolarHBondContact O-N 2.95Å; D368-Y372 VanDerWaalsContact O-N 3.09Å; D368-H393 IonicContact OD2-CE1 2.63Å; D368-H393 PolarHBondContact OD2-CE1 3.4Å; D368-H393 VanDerWaalsContact OD2-CE1 3.28Å; D368-H393 IonicContact OD2-ND1 3.05Å; D368-H393 PolarHBondContact OD2-ND1 2.67Å; D368-H393 VanDerWaalsContact OD2-ND1 3.12Å
369S91.5Very high93.1Very high89 Ų8964.8 Ų64.862%0.62239%0.386SS*.Hα-helixtrans-59.2-36.2-175.758.90000112.1E373S369-E373 WeakPolarHBondContact O-CB 3.45Å; S369-E373 VanDerWaalsContact O-CG 3.27Å; S369-E373 WeakPolarHBondContact O-CG 3.27Å; S369-E373 PolarHBondContact O-N 2.87Å
370H91.8Very high93Very high119 Ų11967.6 Ų67.655%0.55139%0.386SS*.Hα-helixtrans-65.2-50.8-178.9-174.458.7000112.4D368 Y372 E373 I374D368-H370 PolarHBondContact O-N 2.97Å; H370-Y372 VanDerWaalsContact C-N 3.3Å; H370-Y372 PolarHBondContact O-N 3.24Å; H370-E373 PolarHBondContact O-N 3.35Å; H370-I374 WeakPolarHBondContact NE2-CD1 3.49Å; H370-I374 WeakPolarHBondContact O-CG1 3.35Å; H370-I374 PolarHBondContact O-N 2.84Å; H370-I374 VanDerWaalsContact O-N 3.09Å
371S92.5Very high92.9Very high10 Ų1070.7 Ų70.77%0.0738%0.383CS..Hα-helixtrans-66.5-35.9179.5-52.20000111.2D368 T375D368-S371 PolarHBondContact O-N 3.26Å; D368-S371 WeakPolarHBondContact OD1-CB 3.5Å; D368-S371 PolarHBondContact OD1-N 3.47Å; D368-S371 PolarHBondContact OD1-OG 3.49Å; S371-T375 VanDerWaalsContact O-CB 3.26Å; S371-T375 WeakPolarHBondContact O-CB 3.32Å; S371-T375 PolarHBondContact O-N 3.23Å; S371-T375 PolarHBondContact O-OG1 2.8Å
372Y93.9Very high92.6Very high79 Ų7971.3 Ų71.331%0.3139%0.391SS..Hα-helixtrans-63.1-46.4175.2-175.3-90.9000111.9W353 L357 D368 H370 T375 S376W353-Y372 HydrophobicContact CH2-CE2 4.05Å; W353-Y372 AromaticContact CH2-CZ 3.91Å; L357-Y372 HydrophobicContact CB-CE2 4.48Å; L357-Y372 HydrophobicContact CD2-CD2 4.32Å; L357-Y372 WeakPolarHBondContact O-CE2 3.44Å; L357-Y372 PolarHBondContact O-OH 2.8Å; D368-Y372 WeakPolarHBondContact O-CB 3.27Å; D368-Y372 PolarHBondContact O-N 2.95Å; D368-Y372 VanDerWaalsContact O-N 3.09Å; H370-Y372 VanDerWaalsContact C-N 3.3Å; H370-Y372 PolarHBondContact O-N 3.24Å; Y372-T375 PolarHBondContact O-N 2.85Å; Y372-S376 VanDerWaalsContact O-CB 3.26Å; Y372-S376 WeakPolarHBondContact O-CB 3.42Å; Y372-S376 PolarHBondContact O-N 3.05Å
373E93.4Very high92.5Very high113 Ų11367.3 Ų67.353%0.52837%0.369SS..Hα-helixtrans-61.8-46.7178.4-78.1172.1-161.800112.4S369 H370 S376 Q377S369-E373 WeakPolarHBondContact O-CB 3.45Å; S369-E373 VanDerWaalsContact O-CG 3.27Å; S369-E373 WeakPolarHBondContact O-CG 3.27Å; S369-E373 PolarHBondContact O-N 2.87Å; H370-E373 PolarHBondContact O-N 3.35Å; E373-S376 PolarHBondContact O-N 3.13Å; E373-Q377 WeakPolarHBondContact O-CG 3.29Å; E373-Q377 PolarHBondContact O-N 3.12Å; E373-Q377 VanDerWaalsContact O-N 3.1Å
374I92.9Very high92.6Very high41 Ų4169.3 Ų69.321%0.2137%0.372CS..Hα-helixtrans-60.6-49.2177.2-69.3170.1000110.1H370 S376 Q377 N378 D389H370-I374 WeakPolarHBondContact NE2-CD1 3.49Å; H370-I374 WeakPolarHBondContact O-CG1 3.35Å; H370-I374 PolarHBondContact O-N 2.84Å; H370-I374 VanDerWaalsContact O-N 3.09Å; I374-S376 VanDerWaalsContact C-N 3.32Å; I374-S376 PolarHBondContact O-N 3.33Å; I374-Q377 PolarHBondContact O-N 3.31Å; I374-Q377 VanDerWaalsContact O-N 3.15Å; I374-N378 WeakPolarHBondContact CG2-ND2 3.46Å; I374-N378 PolarHBondContact O-N 3.3Å; I374-N378 PolarHBondContact O-OD1 3.02Å; I374-D389 HydrophobicContact CG2-CB 4.47Å; I374-D389 WeakPolarHBondContact CG2-OD2 3.26Å
375T93.9Very high92.7Very high0 Ų074 Ų740%038%0.377CS..Hα-helixtrans-61.5-42.7-179.6-56.30000111.1W353 L357 S371 Y372 Q377 N378 V379 F387W353-T375 HydrophobicContact CE3-CG2 4.41Å; W353-T375 HydrophobicContact CZ3-CG2 4.15Å; L357-T375 HydrophobicContact CD1-CG2 3.81Å; S371-T375 VanDerWaalsContact O-CB 3.26Å; S371-T375 WeakPolarHBondContact O-CB 3.32Å; S371-T375 PolarHBondContact O-N 3.23Å; S371-T375 PolarHBondContact O-OG1 2.8Å; Y372-T375 PolarHBondContact O-N 2.85Å; T375-Q377 VanDerWaalsContact C-N 3.27Å; T375-Q377 PolarHBondContact O-N 3.47Å; T375-N378 PolarHBondContact O-N 2.59Å; T375-N378 VanDerWaalsContact O-N 3.15Å; T375-V379 HydrophobicContact CG2-CG2 4.3Å; T375-V379 VanDerWaalsContact O-CG2 3.26Å; T375-V379 WeakPolarHBondContact O-CG2 3.29Å; T375-V379 PolarHBondContact O-N 2.93Å; T375-F387 HydrophobicContact CG2-CD1 3.44Å; T375-F387 VanDerWaalsContact CG2-CD1 3.44Å; T375-F387 HydrophobicContact CG2-CE1 3.78Å; T375-F387 HydrophobicContact CG2-CG 4.47Å
376S93.2Very high92.8Very high42 Ų4273.4 Ų73.429%0.29438%0.375SS..Hα-helixtrans-60.1-35.4177.2-171.70000112.9Y372 E373 I374Y372-S376 VanDerWaalsContact O-CB 3.26Å; Y372-S376 WeakPolarHBondContact O-CB 3.42Å; Y372-S376 PolarHBondContact O-N 3.05Å; E373-S376 PolarHBondContact O-N 3.13Å; I374-S376 VanDerWaalsContact C-N 3.32Å; I374-S376 PolarHBondContact O-N 3.33Å
377Q93.6Very high93.1Very high129 Ų12967.2 Ų67.260%0.60334%0.341SS*.Hα-helixtrans-72.5-45173-68178.818.600111.7E373 I374 T375 V379 K380E373-Q377 WeakPolarHBondContact O-CG 3.29Å; E373-Q377 PolarHBondContact O-N 3.12Å; E373-Q377 VanDerWaalsContact O-N 3.1Å; I374-Q377 PolarHBondContact O-N 3.31Å; I374-Q377 VanDerWaalsContact O-N 3.15Å; T375-Q377 VanDerWaalsContact C-N 3.27Å; T375-Q377 PolarHBondContact O-N 3.47Å; Q377-V379 VanDerWaalsContact C-N 3.29Å; Q377-V379 PolarHBondContact O-N 3.13Å; Q377-K380 WeakPolarHBondContact O-CB 3.49Å; Q377-K380 PolarHBondContact O-N 2.94Å
378N93Very high93.3Very high59 Ų5969.7 Ų69.732%0.31635%0.353SS..Hα-helixtrans-63.9-30.5-178.7-68.6-13.8000113.3I374 T375 K380 D381 T386I374-N378 WeakPolarHBondContact CG2-ND2 3.46Å; I374-N378 PolarHBondContact O-N 3.3Å; I374-N378 PolarHBondContact O-OD1 3.02Å; T375-N378 PolarHBondContact O-N 2.59Å; T375-N378 VanDerWaalsContact O-N 3.15Å; N378-K380 PolarHBondContact O-N 3.4Å; N378-D381 CarbonylContact O-C 3.38Å; N378-D381 VanDerWaalsContact O-C 3.28Å; N378-D381 PolarHBondContact O-N 3.11Å; N378-T386 HydrophobicContact CB-CG2 3.92Å; N378-T386 PolarHBondContact ND2-O 2.82Å
379V93.3Very high93.5Very high25 Ų2569.5 Ų69.515%0.15235%0.351CS..G310 helixtrans-65.1-25.6178.2168.40000111.9V349 W353 T375 Q377 D381 G382 T386 F387V349-V379 HydrophobicContact CG1-CB 4.48Å; V349-V379 HydrophobicContact CG1-CG1 4.17Å; V349-V379 HydrophobicContact CG1-CG2 4.14Å; W353-V379 HydrophobicContact CB-CG1 4.49Å; W353-V379 HydrophobicContact CD2-CG1 4.39Å; W353-V379 HydrophobicContact CD2-CG2 4.2Å; W353-V379 HydrophobicContact CE3-CG2 3.72Å; W353-V379 HydrophobicContact CG-CG1 4.29Å; W353-V379 HydrophobicContact CZ3-CG2 4.3Å; T375-V379 HydrophobicContact CG2-CG2 4.3Å; T375-V379 VanDerWaalsContact O-CG2 3.26Å; T375-V379 WeakPolarHBondContact O-CG2 3.29Å; T375-V379 PolarHBondContact O-N 2.93Å; Q377-V379 VanDerWaalsContact C-N 3.29Å; Q377-V379 PolarHBondContact O-N 3.13Å; V379-D381 PolarHBondContact O-N 3.4Å; V379-G382 PolarHBondContact O-N 2.92Å; V379-T386 HydrophobicContact CB-CG2 4.24Å; V379-T386 HydrophobicContact CG2-CG2 3.44Å; V379-T386 VanDerWaalsContact CG2-CG2 3.44Å; V379-F387 HydrophobicContact CG2-CE1 4.07Å; V379-F387 HydrophobicContact CG2-CZ 4.2Å
380K90.9Very high93.7Very high176 Ų17665.2 Ų65.277%0.76532%0.322SS*.G310 helixtrans-63.9-29.4178.4-61.4178.8-177.61760113.2Q377 N378Q377-K380 WeakPolarHBondContact O-CB 3.49Å; Q377-K380 PolarHBondContact O-N 2.94Å; N378-K380 PolarHBondContact O-N 3.4Å
381D89.5Confident93.9Very high149 Ų14960 Ų6080%0.79730%0.297SS*.G310 helixtrans-127.668.5172.6-171.321.1000108.6N378 V379 G383N378-D381 CarbonylContact O-C 3.38Å; N378-D381 VanDerWaalsContact O-C 3.28Å; N378-D381 PolarHBondContact O-N 3.11Å; V379-D381 PolarHBondContact O-N 3.4Å; D381-G383 PolarHBondContact O-N 3.37Å
382G88.8Confident94.1Very high27 Ų2764.1 Ų64.128%0.27832%0.316SS..  trans-60.8126.8-169.700000113.9V379 T386V379-G382 PolarHBondContact O-N 2.92Å; G382-T386 WeakPolarHBondContact CA-OG1 3.49Å
383G93.4Very high94.2Very high26 Ų2663 Ų6327%0.26831%0.313SS..  trans-137.9-177.3175.700000112.4D381 Y385 T386D381-G383 PolarHBondContact O-N 3.37Å; G383-Y385 PolarHBondContact O-N 2.94Å; G383-Y385 VanDerWaalsContact O-N 3.09Å; G383-T386 PolarHBondContact N-OG1 2.94Å; G383-T386 WeakPolarHBondContact O-CB 3.47Å; G383-T386 PolarHBondContact O-N 3.14Å; G383-T386 PolarHBondContact O-OG1 3.31Å; G383-T386 VanDerWaalsContact O-OG1 3.08Å
384R96.6Very high94.3Very high72 Ų7257.6 Ų57.627%0.27229%0.288SS..THydrogen-bonded Turntrans-61.5-21.7-177.9-67-179.8-173.2-98.7-10.7114.1K338 Q340 V345K338-R384 WeakPolarHBondContact CG-O 3.42Å; K338-R384 PolarHBondContact O-NH1 3.29Å; Q340-R384 PolarHBondContact O-NH1 3Å; Q340-R384 PolarHBondContact O-NH2 2.88Å; V345-R384 HydrophobicContact CG1-CG 4.39Å; V345-R384 HydrophobicContact CG2-CG 3.97Å
385Y96.4Very high94.5Very high161 Ų16157.3 Ų57.363%0.63129%0.285SS*.THydrogen-bonded Turntrans-111.314-174.7-53.8-73.6000112.4G383 F387 E388G383-Y385 PolarHBondContact O-N 2.94Å; G383-Y385 VanDerWaalsContact O-N 3.09Å; Y385-F387 PolarHBondContact O-N 3.19Å; Y385-E388 PolarHBondContact O-N 3.43Å
386T96.7Very high94.6Very high6 Ų662.8 Ų62.84%0.03731%0.308CS..THydrogen-bonded Turntrans-56.2-36-178-73.30000113.3V349 N378 V379 G382 G383V349-T386 HydrophobicContact CG1-CG2 3.96Å; N378-T386 HydrophobicContact CB-CG2 3.92Å; N378-T386 PolarHBondContact ND2-O 2.82Å; V379-T386 HydrophobicContact CB-CG2 4.24Å; V379-T386 HydrophobicContact CG2-CG2 3.44Å; V379-T386 VanDerWaalsContact CG2-CG2 3.44Å; G382-T386 WeakPolarHBondContact CA-OG1 3.49Å; G383-T386 PolarHBondContact N-OG1 2.94Å; G383-T386 WeakPolarHBondContact O-CB 3.47Å; G383-T386 PolarHBondContact O-N 3.14Å; G383-T386 PolarHBondContact O-OG1 3.31Å; G383-T386 VanDerWaalsContact O-OG1 3.08Å
387F97.5Very high94.7Very high0 Ų063.8 Ų63.80%031%0.31CS..THydrogen-bonded Turntrans-102.819.5-176.8-55.9-77.4000113.4F330 V334 L337 V349 I352 W353 L357 T375 V379 Y385 D389 A390 Q391F330-F387 HydrophobicContact CE2-CD1 4.17Å; F330-F387 HydrophobicContact CZ-CB 4.19Å; F330-F387 HydrophobicContact CZ-CD1 4.27Å; F330-F387 HydrophobicContact CZ-CG 4.47Å; V334-F387 HydrophobicContact CB-CB 4.44Å; V334-F387 HydrophobicContact CG1-CB 3.86Å; V334-F387 HydrophobicContact CG2-CB 3.63Å; V334-F387 HydrophobicContact CG2-CD2 4.1Å; V334-F387 HydrophobicContact CG2-CG 3.98Å; L337-F387 HydrophobicContact CD2-CD2 3.59Å; L337-F387 HydrophobicContact CD2-CE2 3.8Å; V349-F387 HydrophobicContact CB-CE2 4.26Å; V349-F387 HydrophobicContact CG1-CE2 4.04Å; V349-F387 HydrophobicContact CG1-CZ 3.99Å; V349-F387 HydrophobicContact CG2-CE2 4.14Å; V349-F387 WeakPolarHBondContact O-CZ 3.43Å; I352-F387 HydrophobicContact CB-CE2 3.9Å; I352-F387 HydrophobicContact CB-CZ 3.88Å; I352-F387 HydrophobicContact CD1-CE2 4.27Å; I352-F387 HydrophobicContact CG2-CD1 4.39Å; I352-F387 HydrophobicContact CG2-CD2 4.17Å; I352-F387 HydrophobicContact CG2-CE1 4.01Å; I352-F387 HydrophobicContact CG2-CE2 3.74Å; I352-F387 HydrophobicContact CG2-CG 4.48Å; I352-F387 HydrophobicContact CG2-CZ 3.66Å; W353-F387 HydrophobicContact CB-CZ 4.38Å; W353-F387 HydrophobicContact CE3-CE1 4.43Å; L357-F387 HydrophobicContact CD1-CD1 4.01Å; L357-F387 HydrophobicContact CD1-CE1 3.96Å; T375-F387 HydrophobicContact CG2-CD1 3.44Å; T375-F387 VanDerWaalsContact CG2-CD1 3.44Å; T375-F387 HydrophobicContact CG2-CE1 3.78Å; T375-F387 HydrophobicContact CG2-CG 4.47Å; V379-F387 HydrophobicContact CG2-CE1 4.07Å; V379-F387 HydrophobicContact CG2-CZ 4.2Å; Y385-F387 PolarHBondContact O-N 3.19Å; F387-D389 PolarHBondContact O-N 2.91Å; F387-A390 PolarHBondContact O-N 3.06Å; F387-Q391 WeakPolarHBondContact O-CB 3.39Å; F387-Q391 PolarHBondContact O-N 2.85Å
388E95.7Very high94.8Very high75 Ų7557.6 Ų57.635%0.3528%0.281SS..Hα-helixtrans-58.4-50.7-174.3-158.372.2-162.700112K338 Y385 Q391 E392K338-E388 WeakPolarHBondContact CE-OE2 3.38Å; K338-E388 IonicContact NZ-OE1 3.79Å; K338-E388 PolarHBondContact NZ-OE1 2.89Å; K338-E388 IonicContact NZ-OE2 3.72Å; K338-E388 PolarHBondContact NZ-OE2 2.94Å; Y385-E388 PolarHBondContact O-N 3.43Å; E388-Q391 PolarHBondContact O-N 3.34Å; E388-E392 WeakPolarHBondContact O-CB 3.47Å; E388-E392 PolarHBondContact O-N 3.39Å
389D94.3Very high95Very high61 Ų6159.2 Ų59.233%0.32629%0.285SS..Hα-helixtrans-62.5-47.6-179.5-57-89.8000111.8I374 F387 Q391 E392 H393I374-D389 HydrophobicContact CG2-CB 4.47Å; I374-D389 WeakPolarHBondContact CG2-OD2 3.26Å; F387-D389 PolarHBondContact O-N 2.91Å; D389-Q391 PolarHBondContact O-N 2.9Å; D389-E392 PolarHBondContact O-N 3.38Å; D389-H393 PolarHBondContact O-N 3.03Å
390A96.3Very high95.1Very high0 Ų062.3 Ų62.30%031%0.308CS..Hα-helixtrans-61.3-42.8176.200000112F330 L367 F387 H393 I394F330-A390 HydrophobicContact CE1-CB 4.11Å; F330-A390 HydrophobicContact CZ-CB 3.77Å; L367-A390 HydrophobicContact CD1-CB 3.61Å; L367-A390 HydrophobicContact CD2-CB 4.22Å; F387-A390 PolarHBondContact O-N 3.06Å; A390-H393 PolarHBondContact O-N 2.73Å; A390-I394 VanDerWaalsContact O-CG1 3.32Å; A390-I394 WeakPolarHBondContact O-CG1 3.31Å; A390-I394 PolarHBondContact O-N 2.79Å
391Q97Very high95.4Very high8 Ų857 Ų574%0.03729%0.288CS..Hα-helixtrans-64.8-41.1178.3-175.2179.246.300111.6W331 V334 F387 E388 D389 Y395W331-Q391 HydrophobicContact CG-CG 4.23Å; W331-Q391 PolarHBondContact O-NE2 3Å; W331-Q391 VanDerWaalsContact O-NE2 3.14Å; V334-Q391 HydrophobicContact CB-CB 4.48Å; V334-Q391 HydrophobicContact CB-CG 4.35Å; V334-Q391 HydrophobicContact CG1-CB 4.04Å; V334-Q391 VanDerWaalsContact CG1-CD 3.42Å; V334-Q391 HydrophobicContact CG1-CG 4.15Å; F387-Q391 WeakPolarHBondContact O-CB 3.39Å; F387-Q391 PolarHBondContact O-N 2.85Å; E388-Q391 PolarHBondContact O-N 3.34Å; D389-Q391 PolarHBondContact O-N 2.9Å; Q391-Y395 VanDerWaalsContact O-CB 3.24Å; Q391-Y395 WeakPolarHBondContact O-CB 3.47Å; Q391-Y395 PolarHBondContact O-N 3.41Å
392E95.9Very high95.7Very high98 Ų9850 Ų5046%0.45825%0.251SS..Hα-helixtrans-64.2-43177-173.1178-179.900111.3E388 D389 Y395 K396E388-E392 WeakPolarHBondContact O-CB 3.47Å; E388-E392 PolarHBondContact O-N 3.39Å; D389-E392 PolarHBondContact O-N 3.38Å; E392-Y395 PolarHBondContact O-N 3.25Å; E392-K396 HydrophobicContact CG-CD 4.3Å; E392-K396 WeakPolarHBondContact O-CG 3.31Å; E392-K396 PolarHBondContact O-N 2.97Å; E392-K396 WeakPolarHBondContact OE1-CE 3.25Å; E392-K396 IonicContact OE1-NZ 3.71Å; E392-K396 PolarHBondContact OE1-NZ 3.15Å
393H95.6Very high96.2Very high54 Ų5449.7 Ų49.725%0.2524%0.241CC..Hα-helixtrans-58.1-53.3175.5-174.996.2000111.3L367 D368 D389 A390 Y395 K396 L397L367-H393 HydrophobicContact CD2-CB 4.16Å; D368-H393 IonicContact OD2-CE1 2.63Å; D368-H393 PolarHBondContact OD2-CE1 3.4Å; D368-H393 VanDerWaalsContact OD2-CE1 3.28Å; D368-H393 IonicContact OD2-ND1 3.05Å; D368-H393 PolarHBondContact OD2-ND1 2.67Å; D368-H393 VanDerWaalsContact OD2-ND1 3.12Å; D389-H393 PolarHBondContact O-N 3.03Å; A390-H393 PolarHBondContact O-N 2.73Å; H393-Y395 VanDerWaalsContact C-N 3.34Å; H393-Y395 PolarHBondContact O-N 3.47Å; H393-K396 PolarHBondContact O-N 3.31Å; H393-L397 WeakPolarHBondContact O-CB 3.34Å; H393-L397 PolarHBondContact O-N 3.29Å
394I96.6Very high96.3Very high0 Ų050 Ų500%024%0.242CC..Hα-helixtrans-63.9-38.3-179.6-65.7-60.8000112.1N327 F330 I365 L367 A390 L397 M398N327-I394 HydrophobicContact CB-CG2 3.84Å; N327-I394 WeakPolarHBondContact O-CG2 3.22Å; F330-I394 HydrophobicContact CD1-CB 4.24Å; F330-I394 HydrophobicContact CD1-CG1 3.9Å; F330-I394 HydrophobicContact CD1-CG2 4.28Å; F330-I394 HydrophobicContact CE1-CB 4.46Å; F330-I394 HydrophobicContact CE1-CG1 4Å; I365-I394 HydrophobicContact CB-CD1 4.3Å; I365-I394 HydrophobicContact CD1-CD1 3.94Å; I365-I394 HydrophobicContact CD1-CG1 3.81Å; L367-I394 HydrophobicContact CD2-CD1 3.71Å; L367-I394 HydrophobicContact CD2-CG1 3.71Å; A390-I394 VanDerWaalsContact O-CG1 3.32Å; A390-I394 WeakPolarHBondContact O-CG1 3.31Å; A390-I394 PolarHBondContact O-N 2.79Å; I394-L397 HydrophobicContact CD1-CD2 4.4Å; I394-L397 PolarHBondContact O-N 3.14Å; I394-M398 HydrophobicContact CG2-CE 3.85Å; I394-M398 WeakPolarHBondContact O-CG 3.35Å; I394-M398 PolarHBondContact O-N 3.39Å
395Y96.9Very high96.4Very high36 Ų3650.3 Ų50.314%0.14124%0.243CC..Hα-helixtrans-60.9-47.6174.9175.3-85.6000111.5F302 D303 L306 W331 Q391 E392 H393 M398 K399F302-Y395 AromaticContact CD1-CD2 3.88Å; F302-Y395 HydrophobicContact CD1-CD2 3.88Å; F302-Y395 HydrophobicContact CD1-CE1 4.29Å; F302-Y395 AromaticContact CD1-CE2 3.48Å; F302-Y395 HydrophobicContact CD1-CE2 3.48Å; F302-Y395 VanDerWaalsContact CD1-CE2 3.48Å; F302-Y395 HydrophobicContact CD1-CG 4.46Å; F302-Y395 AromaticContact CD1-CZ 3.7Å; F302-Y395 AromaticContact CE1-CD2 3.71Å; F302-Y395 HydrophobicContact CE1-CD2 3.71Å; F302-Y395 AromaticContact CE1-CE2 3.8Å; F302-Y395 HydrophobicContact CE1-CE2 3.8Å; F302-Y395 HydrophobicContact CE1-CG 4.26Å; D303-Y395 PolarHBondContact OD1-OH 2.96Å; D303-Y395 PolarHBondContact OD2-OH 3.34Å; L306-Y395 HydrophobicContact CD1-CD2 4.08Å; L306-Y395 HydrophobicContact CD1-CE2 3.83Å; W331-Y395 HydrophobicContact CZ2-CD2 4.29Å; W331-Y395 AromaticContact NE1-CD2 3.62Å; Q391-Y395 VanDerWaalsContact O-CB 3.24Å; Q391-Y395 WeakPolarHBondContact O-CB 3.47Å; Q391-Y395 PolarHBondContact O-N 3.41Å; E392-Y395 PolarHBondContact O-N 3.25Å; H393-Y395 VanDerWaalsContact C-N 3.34Å; H393-Y395 PolarHBondContact O-N 3.47Å; Y395-M398 PolarHBondContact O-N 2.87Å; Y395-K399 HydrophobicContact CE1-CB 4.49Å; Y395-K399 HydrophobicContact CE1-CD 3.63Å; Y395-K399 WeakPolarHBondContact O-CB 3.47Å; Y395-K399 PolarHBondContact O-N 2.87Å; Y395-K399 PolarHBondContact OH-NZ 3.46Å
396K95.8Very high96.4Very high115 Ų11542.7 Ų42.750%0.521%0.213SC..Hα-helixtrans-62.6-43.3178.6-74.2173.7-175.7165.40111.3E392 H393 K399 S400E392-K396 HydrophobicContact CG-CD 4.3Å; E392-K396 WeakPolarHBondContact O-CG 3.31Å; E392-K396 PolarHBondContact O-N 2.97Å; E392-K396 WeakPolarHBondContact OE1-CE 3.25Å; E392-K396 IonicContact OE1-NZ 3.71Å; E392-K396 PolarHBondContact OE1-NZ 3.15Å; H393-K396 PolarHBondContact O-N 3.31Å; K396-K399 PolarHBondContact O-N 3.06Å; K396-S400 PolarHBondContact O-N 3.01Å; K396-S400 PolarHBondContact O-OG 3.07Å
397L95.1Very high96.5Very high62 Ų6244 Ų4433%0.32522%0.22SC..Hα-helixtrans-55.6-57.1176.2178.164.5000111H393 I394 K399 S400 D401H393-L397 WeakPolarHBondContact O-CB 3.34Å; H393-L397 PolarHBondContact O-N 3.29Å; I394-L397 HydrophobicContact CD1-CD2 4.4Å; I394-L397 PolarHBondContact O-N 3.14Å; L397-K399 VanDerWaalsContact C-N 3.32Å; L397-K399 PolarHBondContact O-N 3.15Å; L397-S400 PolarHBondContact O-N 3.47Å; L397-S400 PolarHBondContact O-OG 3.32Å; L397-S400 VanDerWaalsContact O-OG 3.11Å; L397-D401 PolarHBondContact O-N 2.66Å
398M96.6Very high96.4Very high0 Ų052.7 Ų52.70%025%0.252CS..Hα-helixtrans-60.5-40.6179-70.5-166.7-7400112.1F302 F315 N327 L328 W331 I394 Y395 S400 S402 Y403F302-M398 HydrophobicContact CE1-CB 3.88Å; F302-M398 HydrophobicContact CE1-CE 4.44Å; F302-M398 HydrophobicContact CE2-CB 4.42Å; F302-M398 HydrophobicContact CZ-CB 3.52Å; F302-M398 HydrophobicContact CZ-CE 4.07Å; F302-M398 HydrophobicContact CZ-SD 4.24Å; F315-M398 HydrophobicContact CE1-SD 4.24Å; N327-M398 HydrophobicContact CB-CG 3.93Å; N327-M398 HydrophobicContact CB-SD 3.85Å; L328-M398 HydrophobicContact CB-SD 3.88Å; L328-M398 HydrophobicContact CD1-CE 4.33Å; L328-M398 HydrophobicContact CD1-SD 4.36Å; W331-M398 HydrophobicContact CB-CE 3.78Å; W331-M398 HydrophobicContact CG-CE 4.08Å; I394-M398 HydrophobicContact CG2-CE 3.85Å; I394-M398 WeakPolarHBondContact O-CG 3.35Å; I394-M398 PolarHBondContact O-N 3.39Å; Y395-M398 PolarHBondContact O-N 2.87Å; M398-S400 PolarHBondContact O-N 3.31Å; M398-S402 PolarHBondContact O-N 3.19Å; M398-Y403 VanDerWaalsContact O-CB 3.31Å; M398-Y403 WeakPolarHBondContact O-CB 3.49Å; M398-Y403 PolarHBondContact O-N 3.5Å
399K97Very high96.5Very high93 Ų9350 Ų5040%0.40424%0.242SC..Hα-helixtrans-61.3-43.3179.3-176.8167-176164.10112.3F302 Y395 K396 L397F302-K399 HydrophobicContact CB-CB 4.32Å; F302-K399 HydrophobicContact CB-CD 4.21Å; F302-K399 HydrophobicContact CB-CG 3.91Å; F302-K399 HydrophobicContact CD1-CB 3.6Å; F302-K399 HydrophobicContact CD1-CD 4.36Å; F302-K399 HydrophobicContact CD1-CG 4.1Å; F302-K399 HydrophobicContact CE1-CB 4.15Å; F302-K399 HydrophobicContact CG-CB 4.14Å; F302-K399 HydrophobicContact CG-CG 4.28Å; Y395-K399 HydrophobicContact CE1-CB 4.49Å; Y395-K399 HydrophobicContact CE1-CD 3.63Å; Y395-K399 WeakPolarHBondContact O-CB 3.47Å; Y395-K399 PolarHBondContact O-N 2.87Å; Y395-K399 PolarHBondContact OH-NZ 3.46Å; K396-K399 PolarHBondContact O-N 3.06Å; L397-K399 VanDerWaalsContact C-N 3.32Å; L397-K399 PolarHBondContact O-N 3.15Å
400S95.5Very high96.5Very high89 Ų8953 Ų5362%0.62226%0.258SS*.Hα-helixtrans-80.3-29.2-176.858.70000114.2K396 L397 M398K396-S400 PolarHBondContact O-N 3.01Å; K396-S400 PolarHBondContact O-OG 3.07Å; L397-S400 PolarHBondContact O-N 3.47Å; L397-S400 PolarHBondContact O-OG 3.32Å; L397-S400 VanDerWaalsContact O-OG 3.11Å; M398-S400 PolarHBondContact O-N 3.31Å
401D95.6Very high96.3Very high64 Ų6455.3 Ų55.334%0.34228%0.277SS..THydrogen-bonded Turntrans-115.9-74.5-174.2178.546.9000112.3L397 Y403 A404 R405L397-D401 PolarHBondContact O-N 2.66Å; D401-Y403 VanDerWaalsContact C-N 3.35Å; D401-Y403 PolarHBondContact O-N 3.33Å; D401-A404 PolarHBondContact O-N 2.72Å; D401-A404 VanDerWaalsContact O-N 3.1Å; D401-R405 PolarHBondContact O-N 2.98Å; D401-R405 IonicContact OD1-CZ 2.73Å; D401-R405 IonicContact OD1-NE 3.4Å; D401-R405 PolarHBondContact OD1-NE 2.82Å; D401-R405 IonicContact OD1-NH2 3.42Å; D401-R405 IonicContact OD2-CZ 3.79Å; D401-R405 IonicContact OD2-NE 3.12Å; D401-R405 PolarHBondContact OD2-NE 3.33Å; D401-R405 IonicContact OD2-NH2 3.49Å; D401-R405 PolarHBondContact OD2-NH2 3.19Å
402S96.8Very high96.2Very high4 Ų455.6 Ų55.63%0.02828%0.278CS..Hα-helixtrans-59.6-41.4-170.1-40.90000113.4M398 R405 F406M398-S402 PolarHBondContact O-N 3.19Å; S402-R405 PolarHBondContact O-N 2.94Å; S402-F406 WeakPolarHBondContact O-CB 3.49Å; S402-F406 PolarHBondContact O-N 2.98Å
403Y98.1Very high96.2Very high19 Ų1954.3 Ų54.38%0.07527%0.272CS..Hα-helixtrans-65.8-43.2176.5172.9-113.5000112W298 G299 S301 F302 I305 M398 D401 R405 F406 L407W298-Y403 PolarHBondContact O-OH 3.25Å; G299-Y403 VanDerWaalsContact C-OH 3.27Å; G299-Y403 WeakPolarHBondContact CA-OH 3.48Å; G299-Y403 PolarHBondContact O-OH 3.43Å; S301-Y403 PolarHBondContact N-OH 2.96Å; S301-Y403 PolarHBondContact O-OH 2.87Å; F302-Y403 HydrophobicContact CB-CD1 3.97Å; F302-Y403 HydrophobicContact CB-CD2 4.49Å; F302-Y403 HydrophobicContact CB-CE1 4.15Å; F302-Y403 HydrophobicContact CB-CG 4.15Å; F302-Y403 HydrophobicContact CD2-CD1 4.25Å; F302-Y403 AromaticContact CD2-CD2 3.61Å; F302-Y403 HydrophobicContact CD2-CD2 3.61Å; F302-Y403 HydrophobicContact CD2-CE2 4.32Å; F302-Y403 AromaticContact CD2-CG 3.56Å; F302-Y403 HydrophobicContact CD2-CG 3.56Å; F302-Y403 HydrophobicContact CE2-CD2 4.35Å; F302-Y403 HydrophobicContact CE2-CG 4.32Å; F302-Y403 HydrophobicContact CG-CD1 4.43Å; F302-Y403 HydrophobicContact CG-CD2 4.49Å; F302-Y403 HydrophobicContact CG-CG 4.16Å; I305-Y403 HydrophobicContact CB-CE2 4.39Å; I305-Y403 HydrophobicContact CG2-CD2 3.87Å; I305-Y403 HydrophobicContact CG2-CE2 3.66Å; M398-Y403 VanDerWaalsContact O-CB 3.31Å; M398-Y403 WeakPolarHBondContact O-CB 3.49Å; M398-Y403 PolarHBondContact O-N 3.5Å; D401-Y403 VanDerWaalsContact C-N 3.35Å; D401-Y403 PolarHBondContact O-N 3.33Å; Y403-R405 VanDerWaalsContact C-N 3.27Å; Y403-R405 PolarHBondContact O-N 3.08Å; Y403-F406 WeakPolarHBondContact O-CB 3.14Å; Y403-F406 PolarHBondContact O-N 3.45Å; Y403-L407 HydrophobicContact CD1-CD1 4.5Å; Y403-L407 HydrophobicContact CD2-CG 4.36Å; Y403-L407 HydrophobicContact CE1-CD1 3.8Å; Y403-L407 HydrophobicContact CE1-CG 4.44Å; Y403-L407 HydrophobicContact CE2-CD1 4.07Å; Y403-L407 HydrophobicContact CE2-CD2 3.91Å; Y403-L407 HydrophobicContact CE2-CG 3.94Å; Y403-L407 WeakPolarHBondContact O-CG 3.28Å; Y403-L407 PolarHBondContact O-N 3.21Å
404A97Very high96.1Very high33 Ų3356.7 Ų56.727%0.27329%0.287SS..Hα-helixtrans-65.3-31.9176.800000112.3D401 R408D401-A404 PolarHBondContact O-N 2.72Å; D401-A404 VanDerWaalsContact O-N 3.1Å; A404-R408 PolarHBondContact O-NE 2.89Å
405R97.6Very high96Very high78 Ų7859 Ų5929%0.29430%0.298SS..Hα-helixtrans-72.6-43171.3-69.9-168.3-76.3124.30.3111.8F318 E322 D401 S402 Y403 L407 R408 S409F318-R405 HydrophobicContact CE1-CB 4.43Å; F318-R405 HydrophobicContact CZ-CB 4.01Å; E322-R405 IonicContact OE1-NH1 3.38Å; E322-R405 PolarHBondContact OE1-NH1 3.31Å; E322-R405 IonicContact OE2-CZ 3.12Å; E322-R405 IonicContact OE2-NH1 3.93Å; E322-R405 PolarHBondContact OE2-NH1 3.21Å; E322-R405 IonicContact OE2-NH2 3.93Å; D401-R405 PolarHBondContact O-N 2.98Å; D401-R405 IonicContact OD1-CZ 2.73Å; D401-R405 IonicContact OD1-NE 3.4Å; D401-R405 PolarHBondContact OD1-NE 2.82Å; D401-R405 IonicContact OD1-NH2 3.42Å; D401-R405 IonicContact OD2-CZ 3.79Å; D401-R405 IonicContact OD2-NE 3.12Å; D401-R405 PolarHBondContact OD2-NE 3.33Å; D401-R405 IonicContact OD2-NH2 3.49Å; D401-R405 PolarHBondContact OD2-NH2 3.19Å; S402-R405 PolarHBondContact O-N 2.94Å; Y403-R405 VanDerWaalsContact C-N 3.27Å; Y403-R405 PolarHBondContact O-N 3.08Å; R405-L407 PolarHBondContact O-N 2.96Å; R405-R408 CarbonylContact O-C 3.39Å; R405-R408 PolarHBondContact O-N 3.03Å; R405-S409 PolarHBondContact O-N 3.24Å
406F97.9Very high95.8Very high1 Ų159 Ų590%0.00430%0.301CS..Hα-helixtrans-55-48.5175.2172-102.3000112.4I305 Q314 F315 F318 S402 Y403 R408 S409 Y412I305-F406 HydrophobicContact CD1-CD1 3.68Å; I305-F406 HydrophobicContact CD1-CE1 3.21Å; I305-F406 HydrophobicContact CD1-CZ 3.84Å; Q314-F406 HydrophobicContact CB-CE2 4.48Å; Q314-F406 HydrophobicContact CB-CZ 4.37Å; F315-F406 HydrophobicContact CD2-CB 3.74Å; F315-F406 HydrophobicContact CD2-CD1 4.13Å; F315-F406 AromaticContact CD2-CD2 3.94Å; F315-F406 HydrophobicContact CD2-CD2 3.94Å; F315-F406 AromaticContact CD2-CG 3.66Å; F315-F406 HydrophobicContact CD2-CG 3.66Å; F315-F406 HydrophobicContact CE2-CB 3.75Å; F315-F406 HydrophobicContact CE2-CG 4.2Å; F318-F406 HydrophobicContact CB-CD2 3.69Å; F318-F406 HydrophobicContact CB-CE2 4.17Å; F318-F406 HydrophobicContact CD1-CB 3.76Å; F318-F406 AromaticContact CD1-CD2 3.91Å; F318-F406 HydrophobicContact CD1-CD2 3.91Å; F318-F406 HydrophobicContact CD1-CG 4.32Å; F318-F406 HydrophobicContact CD2-CD2 4.31Å; F318-F406 HydrophobicContact CE1-CB 3.81Å; F318-F406 HydrophobicContact CG-CB 4.32Å; F318-F406 AromaticContact CG-CD2 3.69Å; F318-F406 HydrophobicContact CG-CD2 3.69Å; F318-F406 HydrophobicContact CZ-CB 4.41Å; S402-F406 WeakPolarHBondContact O-CB 3.49Å; S402-F406 PolarHBondContact O-N 2.98Å; Y403-F406 WeakPolarHBondContact O-CB 3.14Å; Y403-F406 PolarHBondContact O-N 3.45Å; F406-R408 PolarHBondContact O-N 3.03Å; F406-S409 VanDerWaalsContact O-CB 3.29Å; F406-S409 WeakPolarHBondContact O-CB 3.44Å; F406-S409 PolarHBondContact O-N 2.93Å; F406-S409 PolarHBondContact O-OG 3.33Å; F406-Y412 HydrophobicContact CD1-CD2 4.46Å; F406-Y412 AromaticContact CE1-CD2 3.61Å; F406-Y412 HydrophobicContact CE1-CD2 3.61Å; F406-Y412 HydrophobicContact CE1-CE2 4.46Å; F406-Y412 HydrophobicContact CE1-CG 4.08Å; F406-Y412 AromaticContact CZ-CD2 3.98Å; F406-Y412 HydrophobicContact CZ-CD2 3.98Å; F406-Y412 HydrophobicContact CZ-CG 4.41Å; F406-Y412 VanDerWaalsContact O-CB 3.29Å; F406-Y412 WeakPolarHBondContact O-CB 3.46Å
407L97.1Very high95.5Very high35 Ų3559.1 Ų59.118%0.18331%0.306CS..Hα-helixtrans-63-24179.3-66.3-175.1000113.8Y403 R405 Y412 Q413Y403-L407 HydrophobicContact CD1-CD1 4.5Å; Y403-L407 HydrophobicContact CD2-CG 4.36Å; Y403-L407 HydrophobicContact CE1-CD1 3.8Å; Y403-L407 HydrophobicContact CE1-CG 4.44Å; Y403-L407 HydrophobicContact CE2-CD1 4.07Å; Y403-L407 HydrophobicContact CE2-CD2 3.91Å; Y403-L407 HydrophobicContact CE2-CG 3.94Å; Y403-L407 WeakPolarHBondContact O-CG 3.28Å; Y403-L407 PolarHBondContact O-N 3.21Å; R405-L407 PolarHBondContact O-N 2.96Å; L407-Y412 HydrophobicContact CB-CD1 4.47Å; L407-Y412 HydrophobicContact CD2-CD1 4.15Å; L407-Y412 HydrophobicContact CD2-CD2 4.15Å; L407-Y412 HydrophobicContact CD2-CE1 3.92Å; L407-Y412 HydrophobicContact CD2-CE2 3.93Å; L407-Y412 HydrophobicContact CD2-CG 4.25Å; L407-Y412 VanDerWaalsContact O-CD1 3.25Å; L407-Y412 WeakPolarHBondContact O-CD1 3.39Å; L407-Q413 PolarHBondContact O-NE2 3.04Å
408R96.6Very high94.7Very high181 Ų18159.1 Ų59.168%0.68332%0.315SS*.Hα-helixtrans-92.5-9.2176-69.4-179.2-70.6-174.32.5113.1A404 R405 F406A404-R408 PolarHBondContact O-NE 2.89Å; R405-R408 CarbonylContact O-C 3.39Å; R405-R408 PolarHBondContact O-N 3.03Å; F406-R408 PolarHBondContact O-N 3.03Å
409S96.5Very high92.9Very high20 Ų2067.2 Ų67.214%0.1435%0.351CS..SBendtrans-72.9152.1-17876.30000111.8R405 F406 A411 Y412 Q413R405-S409 PolarHBondContact O-N 3.24Å; F406-S409 VanDerWaalsContact O-CB 3.29Å; F406-S409 WeakPolarHBondContact O-CB 3.44Å; F406-S409 PolarHBondContact O-N 2.93Å; F406-S409 PolarHBondContact O-OG 3.33Å; S409-A411 PolarHBondContact O-N 3Å; S409-Y412 PolarHBondContact O-N 2.71Å; S409-Y412 PolarHBondContact OG-N 3.24Å; S409-Q413 WeakPolarHBondContact O-CG 3.36Å; S409-Q413 PolarHBondContact O-N 3.24Å; S409-Q413 VanDerWaalsContact O-N 3.12Å
410N94.6Very high90.9Very high124 Ų12471.9 Ų71.966%0.66337%0.371SS*.Hα-helixtrans-58.7-33.1172.7-66.2-20000111.5Y412 Q413 D414N410-Y412 VanDerWaalsContact C-N 3.32Å; N410-Y412 PolarHBondContact O-N 2.94Å; N410-Q413 PolarHBondContact O-N 2.96Å; N410-D414 VanDerWaalsContact O-CB 3.24Å; N410-D414 WeakPolarHBondContact O-CB 3.17Å; N410-D414 PolarHBondContact O-N 3.05Å
411A92.4Very high88.3Confident48 Ų4877.4 Ų77.440%0.39738%0.384SS..Hα-helixtrans-57.3-42.5178.500000112.8S409 L415S409-A411 PolarHBondContact O-N 3Å; A411-L415 WeakPolarHBondContact O-CD1 3.35Å; A411-L415 WeakPolarHBondContact O-CG 3.31Å
412Y95.9Very high85.6Confident14 Ų1477.6 Ų77.66%0.05540%0.4CS..Hα-helixtrans-77.3-43.6175.9175.9-101.9000112.2V295 W298 F406 L407 S409 N410 D414 L415 L416V295-Y412 HydrophobicContact CG1-CD2 4.17Å; V295-Y412 HydrophobicContact CG1-CE2 3.71Å; V295-Y412 PolarHBondContact O-OH 3.5Å; W298-Y412 HydrophobicContact CB-CE2 4.41Å; W298-Y412 HydrophobicContact CE3-CE2 4.42Å; F406-Y412 HydrophobicContact CD1-CD2 4.46Å; F406-Y412 AromaticContact CE1-CD2 3.61Å; F406-Y412 HydrophobicContact CE1-CD2 3.61Å; F406-Y412 HydrophobicContact CE1-CE2 4.46Å; F406-Y412 HydrophobicContact CE1-CG 4.08Å; F406-Y412 AromaticContact CZ-CD2 3.98Å; F406-Y412 HydrophobicContact CZ-CD2 3.98Å; F406-Y412 HydrophobicContact CZ-CG 4.41Å; F406-Y412 VanDerWaalsContact O-CB 3.29Å; F406-Y412 WeakPolarHBondContact O-CB 3.46Å; L407-Y412 HydrophobicContact CB-CD1 4.47Å; L407-Y412 HydrophobicContact CD2-CD1 4.15Å; L407-Y412 HydrophobicContact CD2-CD2 4.15Å; L407-Y412 HydrophobicContact CD2-CE1 3.92Å; L407-Y412 HydrophobicContact CD2-CE2 3.93Å; L407-Y412 HydrophobicContact CD2-CG 4.25Å; L407-Y412 VanDerWaalsContact O-CD1 3.25Å; L407-Y412 WeakPolarHBondContact O-CD1 3.39Å; S409-Y412 PolarHBondContact O-N 2.71Å; S409-Y412 PolarHBondContact OG-N 3.24Å; N410-Y412 VanDerWaalsContact C-N 3.32Å; N410-Y412 PolarHBondContact O-N 2.94Å; Y412-D414 VanDerWaalsContact C-N 3.33Å; Y412-D414 PolarHBondContact O-N 2.78Å; Y412-L415 PolarHBondContact O-N 3.18Å; Y412-L416 HydrophobicContact CE1-CD2 4.03Å; Y412-L416 WeakPolarHBondContact O-CB 3.19Å; Y412-L416 PolarHBondContact O-N 3.09Å
413Q95.9Very high82.6Confident71 Ų7186.3 Ų86.333%0.33244%0.438SS..Hα-helixtrans-63.4-39.1-177.7-64.9-61.6-36.300112.1L407 S409 N410 L415 L416 L417L407-Q413 PolarHBondContact O-NE2 3.04Å; S409-Q413 WeakPolarHBondContact O-CG 3.36Å; S409-Q413 PolarHBondContact O-N 3.24Å; S409-Q413 VanDerWaalsContact O-N 3.12Å; N410-Q413 PolarHBondContact O-N 2.96Å; Q413-L415 PolarHBondContact O-N 2.84Å; Q413-L416 PolarHBondContact O-N 2.76Å; Q413-L417 WeakPolarHBondContact O-CB 3.44Å; Q413-L417 VanDerWaalsContact O-CG 3.25Å; Q413-L417 WeakPolarHBondContact O-CG 3.41Å; Q413-L417 PolarHBondContact O-N 2.85Å
414D93.5Very high79.6Confident104 Ų10490.3 Ų90.356%0.55647%0.469SS*.Hα-helixtrans-64.6-40.3176.7-68.8-21.2000111.4N410 Y412 L417 A418N410-D414 VanDerWaalsContact O-CB 3.24Å; N410-D414 WeakPolarHBondContact O-CB 3.17Å; N410-D414 PolarHBondContact O-N 3.05Å; Y412-D414 VanDerWaalsContact C-N 3.33Å; Y412-D414 PolarHBondContact O-N 2.78Å; D414-L417 PolarHBondContact O-N 2.83Å; D414-A418 VanDerWaalsContact O-CB 3.29Å; D414-A418 WeakPolarHBondContact O-CB 3.27Å; D414-A418 PolarHBondContact O-N 2.88Å
415L93.1Very high76.8Confident47 Ų4796.4 Ų96.425%0.24650%0.496CS..Hα-helixtrans-66.3-38.3174.5-71.2173.4000112.1V295 W298 Q314 A411 Y412 Q413 L417V295-L415 HydrophobicContact CG1-CB 4.03Å; V295-L415 HydrophobicContact CG2-CB 4.37Å; W298-L415 HydrophobicContact CZ3-CD1 4.19Å; Q314-L415 HydrophobicContact CB-CD1 4.43Å; Q314-L415 HydrophobicContact CG-CD1 3.88Å; A411-L415 WeakPolarHBondContact O-CD1 3.35Å; A411-L415 WeakPolarHBondContact O-CG 3.31Å; Y412-L415 PolarHBondContact O-N 3.18Å; Q413-L415 PolarHBondContact O-N 2.84Å; L415-L417 VanDerWaalsContact C-N 3.33Å
416L92.7Very high74.1Confident36 Ų3696.9 Ų96.919%0.18852%0.516CS..Hα-helixtrans-69.6-32.6178.1-172.764.9000112Q292 V295 K296 Y412 Q413Q292-L416 WeakPolarHBondContact CG-O 3.14Å; Q292-L416 PolarHBondContact NE2-O 3.23Å; V295-L416 HydrophobicContact CG1-CB 4.25Å; V295-L416 HydrophobicContact CG1-CD1 4.26Å; K296-L416 HydrophobicContact CB-CD1 3.91Å; Y412-L416 HydrophobicContact CE1-CD2 4.03Å; Y412-L416 WeakPolarHBondContact O-CB 3.19Å; Y412-L416 PolarHBondContact O-N 3.09Å; Q413-L416 PolarHBondContact O-N 2.76Å
417L89.4Confident71.2Confident119 Ų119100.4 Ų100.462%0.62355%0.553SS**Hα-helixtrans-91.1-12.6-179.5-67.2174.2000113.8Q413 D414 L415 K419Q413-L417 WeakPolarHBondContact O-CB 3.44Å; Q413-L417 VanDerWaalsContact O-CG 3.25Å; Q413-L417 WeakPolarHBondContact O-CG 3.41Å; Q413-L417 PolarHBondContact O-N 2.85Å; D414-L417 PolarHBondContact O-N 2.83Å; L415-L417 VanDerWaalsContact C-N 3.33Å; L417-K419 VanDerWaalsContact C-N 3.26Å; L417-K419 PolarHBondContact O-N 2.98Å
418A78.8Confident68.5Low62 Ų62108.4 Ų108.451%0.51259%0.586SS.*  trans-63.283.917800000111.1D414 K420D414-A418 VanDerWaalsContact O-CB 3.29Å; D414-A418 WeakPolarHBondContact O-CB 3.27Å; D414-A418 PolarHBondContact O-N 2.88Å; A418-K420 PolarHBondContact O-N 3.48Å
419K59.7Low65.8Low170 Ų170111.2 Ų111.274%0.73960%0.596SS**  trans-64.2134.7166.6-75.9-171176.5-176.50108.3L417 K421L417-K419 VanDerWaalsContact C-N 3.26Å; L417-K419 PolarHBondContact O-N 2.98Å; K419-K421 PolarHBondContact O-N 3.39Å
420K55Low62.9Low191 Ų191118.9 Ų118.983%0.8364%0.635SS**  trans-45.8104.5168.6-148.8176.7-170.8176.80107.6A418 G422A418-K420 PolarHBondContact O-N 3.48Å; K420-G422 PolarHBondContact O-N 2.64Å
421K40.3Very low60.3Low205 Ų205120 Ų12089%0.89165%0.647SS**  trans-63.492.4163.4-96.4-175.8178174.50104.6K419 K423K419-K421 PolarHBondContact O-N 3.39Å; K421-K423 PolarHBondContact O-N 2.93Å
422G38.7Very low57.7Low67 Ų67121.1 Ų121.169%0.69166%0.662SS**  trans-56.3105.1172.800000107.7K420 S424K420-G422 PolarHBondContact O-N 2.64Å; G422-S424 PolarHBondContact O-N 3.28Å
423K34.3Very low54.8Low187 Ų187128.4 Ų128.481%0.81370%0.702SS**  trans-6687.3157-80.8-176.7177.1174.70105.8K421 L425K421-K423 PolarHBondContact O-N 2.93Å; K423-L425 VanDerWaalsContact C-N 3.28Å; K423-L425 HydrophobicContact CB-CD1 4.37Å; K423-L425 HydrophobicContact CD-CD1 4.4Å; K423-L425 PolarHBondContact O-N 3.46Å
424S34.3Very low52Low104 Ų104134.2 Ų134.273%0.72773%0.731SS**  trans-62.999155.6175.70000106.5G422G422-S424 PolarHBondContact O-N 3.28Å
425L39.2Very low49.3Very low161 Ų161137.7 Ų137.784%0.84374%0.744SS**  trans-102.424.9171-95.7161.5000111.3K423K423-L425 VanDerWaalsContact C-N 3.28Å; K423-L425 HydrophobicContact CB-CD1 4.37Å; K423-L425 HydrophobicContact CD-CD1 4.4Å; K423-L425 PolarHBondContact O-N 3.46Å
426A39.8Very low46.5Very low88 Ų88140.9 Ų140.973%0.72777%0.77SS**SBendtrans-128.596171.900000108.9
427G36.8Very low43.7Very low74 Ų74148.6 Ų148.676%0.76383%0.827SS**SBendtrans156.825.7176.200000117.2
428K41.3Very low41.4Very low203 Ų203150.1 Ų150.188%0.88384%0.837SS**  trans-144.890.5163.6-79.7-169.3178.4175.90110.7
429R39.6Very low39.5Very low240 Ų240154.7 Ų154.791%0.90685%0.854SS**  trans166.695.7142.1-94.7170.5-174.8-171.12.3109.4
430L35.9Very low38.4Very low181 Ų181153.8 Ų153.895%0.94886%0.861SS**  trans-172.168.5146.4-104.6142.5000108.5
431T39.4Very low37.4Very low149 Ų149151.6 Ų151.691%0.91486%0.862SS**  trans-132.2116.1155.144.10000106.9
432G37.4Very low37.2Very low70 Ų70148.3 Ų148.372%0.72286%0.861SS**  trans120.383.1172.800000113.8
433L35.3Very low37.1Very low168 Ų168153.7 Ų153.788%0.8887%0.872SS**  trans175.681.3136.2-94.9149.2000109.5
434M37.8Very low37.3Very low192 Ų192151.4 Ų151.495%0.94688%0.876SS**  trans-131.292.4146.3-81.2-164.588.100106.8
435Q36.2Very low37.5Very low177 Ų177155 Ų15583%0.82789%0.888SS**  trans-161.9134.8153.4-106.6176.313.700108.3
436S35.6Very low37.4Very low114 Ų114154.5 Ų154.580%0.79789%0.891SS**  trans7593.8173.4700000118.6
437S33.8Very low37.2Very low198 Ų198160.5 Ų160.5100%1.38591%0.906SS**  -172.9093.3-67.60000110

Retrieved 437 of 437 residues in 613.2 ms (Link to these results)

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