A0A077ZJD3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJD3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 186 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
1M35.6Very low41.2Very low190 Ų19082.9 Ų82.994%0.93649%0.489SS*.  0150.20-74.6175-172.900108.1
2C38.8Very low41.6Very low66 Ų6686.3 Ų86.345%0.44650%0.501SS..BIsolated β-bridgetrans-84.7151.8168-62.10000109.9V7 K8C2-V7 CarbonylContact C-O 3.37Å; C2-V7 VanDerWaalsContact CA-O 3.32Å; C2-V7 WeakPolarHBondContact CA-O 3.35Å; C2-K8 VanDerWaalsContact SG-CG 3.58Å
3D42.1Very low42Very low14 Ų1481 Ų818%0.07547%0.468CS..  trans-72.1179.4166.778.5-16.1000111.6N5 G6 V7 R9D3-N5 PolarHBondContact O-N 3.47Å; D3-N5 VanDerWaalsContact O-N 3.07Å; D3-N5 VanDerWaalsContact OD1-C 3.3Å; D3-N5 WeakPolarHBondContact OD1-CA 3.33Å; D3-N5 WeakPolarHBondContact OD1-CB 3.04Å; D3-N5 PolarHBondContact OD1-N 2.64Å; D3-G6 PolarHBondContact O-N 3.49Å; D3-G6 PolarHBondContact OD1-N 2.94Å; D3-V7 PolarHBondContact N-O 2.96Å; D3-V7 WeakPolarHBondContact OD1-CB 3.21Å; D3-V7 PolarHBondContact OD1-N 3.37Å; D3-R9 VanDerWaalsContact CB-NH1 3.27Å; D3-R9 IonicContact OD2-CZ 3.43Å; D3-R9 IonicContact OD2-NE 2.73Å; D3-R9 IonicContact OD2-NH1 3.37Å; D3-R9 PolarHBondContact OD2-NH1 3.16Å; D3-R9 IonicContact OD2-NH2 3Å; D3-R9 PolarHBondContact OD2-NH2 2.88Å
4A39.4Very low42.3Very low102 Ų10275.4 Ų75.484%0.84344%0.436SS*.THydrogen-bonded Turntrans-60.7-15.4177.200000113.9
5N42Very low42.4Very low129 Ų12971.5 Ų71.569%0.6941%0.414SS*.THydrogen-bonded Turntrans-100.37.3178.4-57.9-41.5000112.6D3 V7D3-N5 PolarHBondContact O-N 3.47Å; D3-N5 VanDerWaalsContact O-N 3.07Å; D3-N5 VanDerWaalsContact OD1-C 3.3Å; D3-N5 WeakPolarHBondContact OD1-CA 3.33Å; D3-N5 WeakPolarHBondContact OD1-CB 3.04Å; D3-N5 PolarHBondContact OD1-N 2.64Å; N5-V7 VanDerWaalsContact C-N 3.33Å; N5-V7 HydrophobicContact CB-CG2 4.49Å
6G37.8Very low42.9Very low54 Ų5470.8 Ų70.856%0.55741%0.405SS*.SBendtrans81.95.6178.100000114.9D3D3-G6 PolarHBondContact O-N 3.49Å; D3-G6 PolarHBondContact OD1-N 2.94Å
7V43.9Very low43.3Very low70 Ų7068.1 Ų68.142%0.42439%0.388SS..  trans-84.8119.4-178.7-175.30000109.7C2 D3 N5 R9C2-V7 CarbonylContact C-O 3.37Å; C2-V7 VanDerWaalsContact CA-O 3.32Å; C2-V7 WeakPolarHBondContact CA-O 3.35Å; D3-V7 PolarHBondContact N-O 2.96Å; D3-V7 WeakPolarHBondContact OD1-CB 3.21Å; D3-V7 PolarHBondContact OD1-N 3.37Å; N5-V7 VanDerWaalsContact C-N 3.33Å; N5-V7 HydrophobicContact CB-CG2 4.49Å; V7-R9 HydrophobicContact CG1-CG 4.04Å; V7-R9 PolarHBondContact O-N 3.34Å
8K42.8Very low43.6Very low151 Ų15169.7 Ų69.766%0.65739%0.392SS*.BIsolated β-bridgetrans-67.3111.4165-90.4-171.8177.8176.80108.3C2 R137C2-K8 VanDerWaalsContact SG-CG 3.58Å; K8-R137 PolarHBondContact O-NH1 3.44Å
9R42.2Very low44Very low26 Ų2672.1 Ų72.110%0.09840%0.404CS..  trans-103127.2171.3-62.9-167.5178.2115.34.4108.8D3 V7 G11 I14 N136D3-R9 VanDerWaalsContact CB-NH1 3.27Å; D3-R9 IonicContact OD2-CZ 3.43Å; D3-R9 IonicContact OD2-NE 2.73Å; D3-R9 IonicContact OD2-NH1 3.37Å; D3-R9 PolarHBondContact OD2-NH1 3.16Å; D3-R9 IonicContact OD2-NH2 3Å; D3-R9 PolarHBondContact OD2-NH2 2.88Å; V7-R9 HydrophobicContact CG1-CG 4.04Å; V7-R9 PolarHBondContact O-N 3.34Å; R9-G11 PolarHBondContact O-N 3.33Å; R9-I14 HydrophobicContact CB-CB 4.34Å; R9-I14 HydrophobicContact CB-CD1 3.8Å; R9-I14 VanDerWaalsContact CD-CG2 3.44Å; R9-I14 HydrophobicContact CG-CD1 4.44Å; R9-N136 WeakPolarHBondContact CD-O 3Å; R9-N136 PolarHBondContact NE-O 2.85Å
10D45.1Very low44.4Very low97 Ų9770.4 Ų70.452%0.51940%0.403SS..SBendtrans-74.8-7-173.8-65.5-48.8000113.5I12 R137D10-I12 PolarHBondContact O-N 3.48Å; D10-R137 IonicContact OD2-CZ 3.36Å; D10-R137 IonicContact OD2-NH1 2.86Å; D10-R137 PolarHBondContact OD2-NH1 3.27Å
11G44.1Very low45.1Very low13 Ų1368.5 Ų68.513%0.13439%0.392CS..  trans-81.5107.9163.400000110.7R9 F13 I14R9-G11 PolarHBondContact O-N 3.33Å; G11-F13 PolarHBondContact O-N 3.22Å; G11-I14 PolarHBondContact O-N 3.24Å
12I45.8Very low46.3Very low123 Ų12363.2 Ų63.263%0.63136%0.363SS*.THydrogen-bonded Turntrans-43.9-30169-71.7172.3000111.3D10 F16D10-I12 PolarHBondContact O-N 3.48Å; I12-F16 HydrophobicContact CG2-CE2 4.28Å; I12-F16 WeakPolarHBondContact O-CD2 3.12Å; I12-F16 WeakPolarHBondContact O-CE2 2.7Å
13F46.9Very low47.3Very low18 Ų1864.1 Ų64.18%0.07936%0.357CS..THydrogen-bonded Turntrans-91.5-13-171.5-52.3-68.1000115.8G11 F16 I17 F58 K61 M62 A65 V67G11-F13 PolarHBondContact O-N 3.22Å; F13-F16 WeakPolarHBondContact O-CA 3.43Å; F13-F16 VanDerWaalsContact O-CB 3.26Å; F13-F16 WeakPolarHBondContact O-CB 3.33Å; F13-F16 PolarHBondContact O-N 3.46Å; F13-I17 PolarHBondContact O-N 3.38Å; F13-F58 HydrophobicContact CD1-CD1 4.18Å; F13-F58 AromaticContact CD1-CE1 3.39Å; F13-F58 HydrophobicContact CD1-CE1 3.39Å; F13-F58 HydrophobicContact CD1-CE2 4.21Å; F13-F58 AromaticContact CD1-CZ 3.42Å; F13-F58 HydrophobicContact CD1-CZ 3.42Å; F13-F58 VanDerWaalsContact CD1-CZ 3.42Å; F13-F58 AromaticContact CE1-CD1 3.97Å; F13-F58 HydrophobicContact CE1-CD1 3.97Å; F13-F58 HydrophobicContact CE1-CD2 4.1Å; F13-F58 AromaticContact CE1-CE1 3.49Å; F13-F58 HydrophobicContact CE1-CE1 3.49Å; F13-F58 VanDerWaalsContact CE1-CE1 3.49Å; F13-F58 AromaticContact CE1-CE2 3.59Å; F13-F58 HydrophobicContact CE1-CE2 3.59Å; F13-F58 HydrophobicContact CE1-CG 4.29Å; F13-F58 AromaticContact CE1-CZ 3.28Å; F13-F58 HydrophobicContact CE1-CZ 3.28Å; F13-K61 HydrophobicContact CE1-CB 4.44Å; F13-K61 WeakPolarHBondContact CE2-O 3.23Å; F13-K61 HydrophobicContact CZ-CB 3.78Å; F13-M62 HydrophobicContact CB-CE 3.89Å; F13-M62 HydrophobicContact CB-CG 3.89Å; F13-M62 HydrophobicContact CD1-CB 4.3Å; F13-M62 HydrophobicContact CD1-CE 4.38Å; F13-M62 HydrophobicContact CD1-CG 3.14Å; F13-M62 HydrophobicContact CD1-SD 4.12Å; F13-M62 HydrophobicContact CD2-CB 4.49Å; F13-M62 HydrophobicContact CD2-CG 4.08Å; F13-M62 HydrophobicContact CE1-CG 3.51Å; F13-M62 HydrophobicContact CE2-CG 4.41Å; F13-M62 HydrophobicContact CG-CB 4.26Å; F13-M62 HydrophobicContact CG-CE 4.45Å; F13-M62 HydrophobicContact CG-CG 3.44Å; F13-M62 VanDerWaalsContact CG-CG 3.44Å; F13-M62 HydrophobicContact CZ-CG 4.15Å; F13-A65 HydrophobicContact CD2-CB 3.85Å; F13-A65 HydrophobicContact CE2-CB 3.6Å; F13-V67 HydrophobicContact CB-CB 4.14Å; F13-V67 HydrophobicContact CB-CG1 3.81Å; F13-V67 HydrophobicContact CB-CG2 3.89Å; F13-V67 HydrophobicContact CD2-CG2 4.06Å; F13-V67 HydrophobicContact CG-CG2 4.4Å
14I46.4Very low48.2Very low2 Ų264.7 Ų64.71%0.0136%0.361CS..Hα-helixtrans-66-42.5-177.8-61.2169.6000112.7R9 G11 F16 I17 Q18 R137R9-I14 HydrophobicContact CB-CB 4.34Å; R9-I14 HydrophobicContact CB-CD1 3.8Å; R9-I14 VanDerWaalsContact CD-CG2 3.44Å; R9-I14 HydrophobicContact CG-CD1 4.44Å; G11-I14 PolarHBondContact O-N 3.24Å; I14-F16 PolarHBondContact O-N 3.3Å; I14-I17 PolarHBondContact O-N 2.73Å; I14-Q18 HydrophobicContact CG2-CG 4.24Å; I14-Q18 PolarHBondContact O-N 3.2Å; I14-R137 WeakPolarHBondContact CD1-O 3.25Å
15P43Very low49.1Very low18 Ų1862 Ų6212%0.11734%0.343CS..Hα-helixtrans-56-34.2170-22.733.2000111.3N19P15-N19 WeakPolarHBondContact O-CB 3.39Å; P15-N19 PolarHBondContact O-N 3.37Å; P15-N19 PolarHBondContact O-ND2 3.14Å
16F50.7Low49.9Very low59 Ų5958.3 Ų58.326%0.25933%0.325SS..Hα-helixtrans-65.2-48.2-178.2-66.6-106.3000111.1I12 F13 I14 N19 I21 F58 M62I12-F16 HydrophobicContact CG2-CE2 4.28Å; I12-F16 WeakPolarHBondContact O-CD2 3.12Å; I12-F16 WeakPolarHBondContact O-CE2 2.7Å; F13-F16 WeakPolarHBondContact O-CA 3.43Å; F13-F16 VanDerWaalsContact O-CB 3.26Å; F13-F16 WeakPolarHBondContact O-CB 3.33Å; F13-F16 PolarHBondContact O-N 3.46Å; I14-F16 PolarHBondContact O-N 3.3Å; F16-N19 PolarHBondContact O-N 3.22Å; F16-I21 HydrophobicContact CB-CB 4.22Å; F16-I21 HydrophobicContact CB-CD1 3.92Å; F16-I21 HydrophobicContact CB-CG1 4.38Å; F16-I21 HydrophobicContact CD1-CD1 3.38Å; F16-I21 HydrophobicContact CE1-CD1 4.17Å; F16-I21 HydrophobicContact CG-CD1 3.96Å; F16-I21 WeakPolarHBondContact O-CB 3.43Å; F16-I21 WeakPolarHBondContact O-CG1 3.04Å; F16-I21 PolarHBondContact O-N 2.99Å; F16-F58 AromaticContact CD1-CE1 3.96Å; F16-F58 HydrophobicContact CD1-CE1 3.96Å; F16-F58 HydrophobicContact CD1-CZ 4.11Å; F16-F58 HydrophobicContact CD2-CZ 4.42Å; F16-F58 HydrophobicContact CE1-CE1 4.09Å; F16-F58 AromaticContact CE1-CZ 3.8Å; F16-F58 HydrophobicContact CE1-CZ 3.8Å; F16-F58 HydrophobicContact CE2-CZ 4.09Å; F16-F58 HydrophobicContact CG-CE1 4.28Å; F16-F58 HydrophobicContact CG-CZ 4.45Å; F16-F58 HydrophobicContact CZ-CE1 4.46Å; F16-F58 AromaticContact CZ-CZ 3.79Å; F16-F58 HydrophobicContact CZ-CZ 3.79Å; F16-M62 HydrophobicContact CB-CE 4.44Å
17I49.2Very low50.8Low25 Ų2564.7 Ų64.713%0.12834%0.337CS..Hα-helixtrans-67.4-45.9179.1-64.7-171.7000111.9F13 I14 N19 G20 M62 V67 L68 P70F13-I17 PolarHBondContact O-N 3.38Å; I14-I17 PolarHBondContact O-N 2.73Å; I17-N19 VanDerWaalsContact C-N 3.25Å; I17-N19 PolarHBondContact O-N 3.31Å; I17-G20 PolarHBondContact O-N 3.26Å; I17-M62 HydrophobicContact CD1-CE 4.14Å; I17-M62 HydrophobicContact CG1-CE 3.84Å; I17-V67 HydrophobicContact CD1-CG1 3.28Å; I17-V67 HydrophobicContact CG1-CG1 4.16Å; I17-L68 WeakPolarHBondContact CD1-O 2.99Å; I17-P70 HydrophobicContact CG2-CG 3.55Å
18Q48.3Very low51.3Low97 Ų9763.9 Ų63.945%0.45333%0.332SS..Hα-helixtrans-66.4-29.2-179.6-73-169.5-11.800113I14 G20I14-Q18 HydrophobicContact CG2-CG 4.24Å; I14-Q18 PolarHBondContact O-N 3.2Å; Q18-G20 PolarHBondContact O-N 3.25Å
19N51.4Low51.8Low115 Ų11564.1 Ų64.162%0.61533%0.333SS*.THydrogen-bonded Turntrans-79.79.4173.7-66.9-33.6000112.9P15 F16 I17 I21P15-N19 WeakPolarHBondContact O-CB 3.39Å; P15-N19 PolarHBondContact O-N 3.37Å; P15-N19 PolarHBondContact O-ND2 3.14Å; F16-N19 PolarHBondContact O-N 3.22Å; I17-N19 VanDerWaalsContact C-N 3.25Å; I17-N19 PolarHBondContact O-N 3.31Å; N19-I21 VanDerWaalsContact C-N 3.32Å; N19-I21 HydrophobicContact CB-CG1 4.49Å; N19-I21 PolarHBondContact O-N 3.3Å
20G53.6Low52.3Low38 Ų3868.8 Ų68.839%0.39236%0.36SS..THydrogen-bonded Turntrans7322.3175.800000113.9I17 Q18I17-G20 PolarHBondContact O-N 3.26Å; Q18-G20 PolarHBondContact O-N 3.25Å
21I57.6Low52.6Low32 Ų3266.4 Ų66.416%0.16435%0.35CS..  trans-73.8124.3171.8-51.8-172.7000107.9F16 N19 P52 V54F16-I21 HydrophobicContact CB-CB 4.22Å; F16-I21 HydrophobicContact CB-CD1 3.92Å; F16-I21 HydrophobicContact CB-CG1 4.38Å; F16-I21 HydrophobicContact CD1-CD1 3.38Å; F16-I21 HydrophobicContact CE1-CD1 4.17Å; F16-I21 HydrophobicContact CG-CD1 3.96Å; F16-I21 WeakPolarHBondContact O-CB 3.43Å; F16-I21 WeakPolarHBondContact O-CG1 3.04Å; F16-I21 PolarHBondContact O-N 2.99Å; N19-I21 VanDerWaalsContact C-N 3.32Å; N19-I21 HydrophobicContact CB-CG1 4.49Å; N19-I21 PolarHBondContact O-N 3.3Å; I21-P52 VanDerWaalsContact CA-O 3.31Å; I21-P52 WeakPolarHBondContact CA-O 3.45Å; I21-P52 HydrophobicContact CB-CB 4.47Å; I21-P52 HydrophobicContact CB-CG 4.32Å; I21-P52 HydrophobicContact CD1-CB 4.31Å; I21-P52 HydrophobicContact CD1-CG 4.42Å; I21-P52 HydrophobicContact CG1-CB 3.93Å; I21-P52 HydrophobicContact CG1-CG 3.66Å; I21-P52 HydrophobicContact CG2-CB 4.21Å; I21-P52 WeakPolarHBondContact CG2-O 3.3Å; I21-V54 HydrophobicContact CG2-CG1 3.66Å
22K61.1Low53Low79 Ų7968.5 Ų68.534%0.34336%0.36SS..EExtended strand (participates in β ladder)trans-108.9153.5-175-69.3178.6169.3-107.90111.1V51 P52 M53 V54 D71K22-V51 HydrophobicContact CB-CG1 4.11Å; K22-V51 HydrophobicContact CD-CG1 3.92Å; K22-V51 HydrophobicContact CG-CG1 4.11Å; K22-P52 PolarHBondContact N-O 2.78Å; K22-M53 WeakPolarHBondContact O-CA 3.29Å; K22-M53 VanDerWaalsContact O-CB 3.25Å; K22-M53 WeakPolarHBondContact O-CB 3.09Å; K22-M53 WeakPolarHBondContact O-CG 3.09Å; K22-V54 PolarHBondContact O-N 3.12Å; K22-D71 VanDerWaalsContact CD-OD2 3.26Å; K22-D71 WeakPolarHBondContact CD-OD2 3.05Å; K22-D71 WeakPolarHBondContact CE-OD2 3.18Å; K22-D71 WeakPolarHBondContact CG-OD2 3.35Å; K22-D71 IonicContact NZ-OD1 3.5Å; K22-D71 PolarHBondContact NZ-OD1 3.21Å; K22-D71 IonicContact NZ-OD2 3.96Å; K22-D71 PolarHBondContact NZ-OD2 3.36Å
23W60.4Low53.1Low84 Ų8468.6 Ų68.632%0.31836%0.358SS..EExtended strand (participates in β ladder)trans-80133.5162.9175.448.2000108.7G25 V54 R59W23-G25 PolarHBondContact O-N 3.46Å; W23-V54 HydrophobicContact CB-CG2 4.22Å; W23-R59 HydrophobicContact CD2-CG 4.27Å; W23-R59 HydrophobicContact CG-CG 4.13Å
24D60.1Low53.2Low27 Ų2772.9 Ų72.914%0.14437%0.374CS..  trans-76.1-9.6-175.669.7-4.9000113.8V26 V32 M53D24-V26 HydrophobicContact CB-CG2 4.45Å; D24-V26 PolarHBondContact O-N 2.82Å; D24-V26 PolarHBondContact OD1-N 3.29Å; D24-V26 VanDerWaalsContact OD1-O 3.14Å; D24-V32 PolarHBondContact OD2-N 3.07Å; D24-M53 VanDerWaalsContact CA-SD 3.55Å; D24-M53 HydrophobicContact CB-CB 4.19Å; D24-M53 HydrophobicContact CB-CE 3.19Å; D24-M53 HydrophobicContact CB-CG 4.34Å; D24-M53 HydrophobicContact CB-SD 3.31Å; D24-M53 WeakPolarHBondContact CB-SD 3.35Å
25G58.5Low52.9Low45 Ų4577.6 Ų77.646%0.46440%0.399SS..SBendtrans74.9-2.1-175.100000113.5W23W23-G25 PolarHBondContact O-N 3.46Å
26V58.7Low53Low51 Ų5183.1 Ų83.131%0.30942%0.421SS..  trans-99.8130.6-174.4-169.50000108.9D24 V28 V56D24-V26 HydrophobicContact CB-CG2 4.45Å; D24-V26 PolarHBondContact O-N 2.82Å; D24-V26 PolarHBondContact OD1-N 3.29Å; D24-V26 VanDerWaalsContact OD1-O 3.14Å; V26-V28 HydrophobicContact CB-CG2 3.86Å; V26-V28 HydrophobicContact CG1-CB 4.29Å; V26-V28 HydrophobicContact CG1-CG1 3.9Å; V26-V28 HydrophobicContact CG1-CG2 3.62Å; V26-V28 PolarHBondContact O-N 2.82Å; V26-V56 WeakPolarHBondContact O-CG2 3.26Å
27K56.4Low52.9Low188 Ų18883.3 Ų83.382%0.81743%0.428SS*.  trans-77.149.9178.4-67.6-169.9-179-174.50113V56K27-V56 VanDerWaalsContact C-CG2 3.46Å; K27-V56 HydrophobicContact CB-CG2 4.21Å
28V56.1Low52.8Low54 Ų5485.5 Ų85.533%0.32744%0.439SS..  trans-107141.9178.4-78.40000111.6V26 N30 V32 V56V26-V28 HydrophobicContact CB-CG2 3.86Å; V26-V28 HydrophobicContact CG1-CB 4.29Å; V26-V28 HydrophobicContact CG1-CG1 3.9Å; V26-V28 HydrophobicContact CG1-CG2 3.62Å; V26-V28 PolarHBondContact O-N 2.82Å; V28-N30 VanDerWaalsContact C-N 3.27Å; V28-N30 WeakPolarHBondContact CG2-O 3.31Å; V28-N30 PolarHBondContact O-N 3.25Å; V28-V32 HydrophobicContact CG2-CG2 3.92Å; V28-V56 WeakPolarHBondContact O-CG2 3.36Å
29K53.3Low53Low156 Ų15690 Ų9068%0.67845%0.452SS*.SBendtrans-63.3-32.5-176.4-169.6176.1-177.2177.50113.1S55K29-S55 WeakPolarHBondContact O-CB 3.4Å
30N51.6Low53.1Low124 Ų12488 Ų8866%0.66345%0.452SS*.SBendtrans-108.4132.8175.5-64.7-24.2000108.6V28 V32V28-N30 VanDerWaalsContact C-N 3.27Å; V28-N30 WeakPolarHBondContact CG2-O 3.31Å; V28-N30 PolarHBondContact O-N 3.25Å; N30-V32 PolarHBondContact O-N 3.35Å
31P51.2Low53.1Low47 Ų4787.4 Ų87.431%0.30544%0.443SS..  trans-64.8129.4177.825.7-29.1000109.4Q33 M53P31-Q33 PolarHBondContact O-N 3.42Å; P31-Q33 VanDerWaalsContact O-N 3.16Å; P31-M53 HydrophobicContact CB-CB 4.18Å; P31-M53 WeakPolarHBondContact CB-O 3.48Å; P31-M53 WeakPolarHBondContact CG-O 3.46Å
32V52.6Low53.3Low56 Ų5691.5 Ų91.534%0.33948%0.482SS..  trans-82.695.6176-174.30000107.2D24 V28 N30 Y34 M53D24-V32 PolarHBondContact OD2-N 3.07Å; V28-V32 HydrophobicContact CG2-CG2 3.92Å; N30-V32 PolarHBondContact O-N 3.35Å; V32-Y34 HydrophobicContact CB-CE1 4.18Å; V32-Y34 HydrophobicContact CB-CE2 3.93Å; V32-Y34 HydrophobicContact CG1-CD1 3.92Å; V32-Y34 HydrophobicContact CG1-CE1 3.4Å; V32-Y34 VanDerWaalsContact CG1-CE1 3.4Å; V32-Y34 HydrophobicContact CG1-CE2 4.06Å; V32-Y34 HydrophobicContact CG1-CG 4.44Å; V32-Y34 VanDerWaalsContact CG1-CZ 3.45Å; V32-Y34 WeakPolarHBondContact O-CD2 3.25Å; V32-Y34 PolarHBondContact O-N 3.17Å; V32-M53 WeakPolarHBondContact O-CE 3.26Å
33Q47.6Very low53.7Low126 Ų12693.8 Ų93.859%0.58950%0.498SS*.  trans-59.9106.9173.5-69.5-173.7-0.800109.5P31P31-Q33 PolarHBondContact O-N 3.42Å; P31-Q33 VanDerWaalsContact O-N 3.16Å
34Y49.3Very low53.6Low107 Ų10792.6 Ų92.642%0.4251%0.511SS..  trans-88.5130.8173.3-63.8-68.1000109.8V32 K36 M53V32-Y34 HydrophobicContact CB-CE1 4.18Å; V32-Y34 HydrophobicContact CB-CE2 3.93Å; V32-Y34 HydrophobicContact CG1-CD1 3.92Å; V32-Y34 HydrophobicContact CG1-CE1 3.4Å; V32-Y34 VanDerWaalsContact CG1-CE1 3.4Å; V32-Y34 HydrophobicContact CG1-CE2 4.06Å; V32-Y34 HydrophobicContact CG1-CG 4.44Å; V32-Y34 VanDerWaalsContact CG1-CZ 3.45Å; V32-Y34 WeakPolarHBondContact O-CD2 3.25Å; V32-Y34 PolarHBondContact O-N 3.17Å; Y34-K36 PolarHBondContact O-N 3.49Å; Y34-M53 HydrophobicContact CD2-CE 3.31Å; Y34-M53 HydrophobicContact CE2-CE 3.8Å; Y34-M53 HydrophobicContact CG-CE 4.25Å
35L40.6Very low53.3Low101 Ų10193.7 Ų93.753%0.52952%0.521SS..EExtended strand (participates in β ladder)trans-74.398.8159.2-72.1164.9000107.5P37 H48 L50L35-P37 WeakPolarHBondContact O-CD 3.08Å; L35-H48 HydrophobicContact CB-CB 4.21Å; L35-H48 HydrophobicContact CD2-CB 3.72Å; L35-H48 HydrophobicContact CG-CB 4.47Å; L35-L50 HydrophobicContact CD2-CD2 3.41Å; L35-L50 VanDerWaalsContact CD2-CD2 3.41Å; L35-L50 HydrophobicContact CD2-CG 3.6Å; L35-L50 HydrophobicContact CG-CD2 4.02Å
36K45.7Very low52.7Low135 Ų13598.9 Ų98.959%0.58753%0.527SS*.EExtended strand (participates in β ladder)trans-81118.9169.1-79-170.5178.5179.70108.6Y34 I38 K49Y34-K36 PolarHBondContact O-N 3.49Å; K36-I38 PolarHBondContact O-N 3.24Å; K36-K49 PolarHBondContact N-O 2.85Å; K36-K49 PolarHBondContact O-N 2.8Å
37P46.6Very low52.2Low62 Ų62100.9 Ų100.940%0.40354%0.535SS..EExtended strand (participates in β ladder)trans-67.3117.1169.527.2-30.5000108.5L35L35-P37 WeakPolarHBondContact O-CD 3.08Å
38I49.2Very low51.7Low71 Ų7196.9 Ų96.936%0.36452%0.519SS..EExtended strand (participates in β ladder)trans-90.1125.2166.2-56.3-173.5000107.2K36 A40 L47 K49K36-I38 PolarHBondContact O-N 3.24Å; I38-A40 HydrophobicContact CG2-CB 3.77Å; I38-A40 PolarHBondContact O-N 2.87Å; I38-L47 PolarHBondContact N-O 3.26Å; I38-L47 PolarHBondContact O-N 2.98Å; I38-K49 HydrophobicContact CD1-CB 3.43Å; I38-K49 VanDerWaalsContact CD1-CB 3.43Å; I38-K49 HydrophobicContact CD1-CD 3.59Å; I38-K49 HydrophobicContact CD1-CG 4.12Å; I38-K49 HydrophobicContact CG1-CB 3.92Å
39W51.3Low51.4Low192 Ų192100.2 Ų100.273%0.72753%0.529SS*.EExtended strand (participates in β ladder)trans-86.284.1171.4-63.886.6000108.3
40A54.3Low51.3Low74 Ų7497.7 Ų97.761%0.61252%0.523SS*.  trans-152.68.5179.200000116I38I38-A40 HydrophobicContact CG2-CB 3.77Å; I38-A40 PolarHBondContact O-N 2.87Å
41A53.5Low51.5Low24 Ų2492.9 Ų92.920%0.19850%0.498CS..  trans-78.4133.7169.700000109.4D43 G44 S45 L47A41-D43 WeakPolarHBondContact CB-OD1 3.31Å; A41-D43 PolarHBondContact O-N 3.15Å; A41-D43 VanDerWaalsContact O-N 3.14Å; A41-G44 PolarHBondContact O-N 3.13Å; A41-S45 WeakPolarHBondContact CB-O 3.39Å; A41-S45 WeakPolarHBondContact CB-OG 3.35Å; A41-L47 HydrophobicContact CB-CD1 4.05Å; A41-L47 HydrophobicContact CB-CG 4.19Å
42A61.6Low51.7Low118 Ų11893 Ų9398%0.97550%0.499SS*.THydrogen-bonded Turntrans-60.6-21179.700000112.9G44A42-G44 VanDerWaalsContact C-N 3.33Å
43D68.1Low52.2Low128 Ų12891.6 Ų91.668%0.68449%0.488SS*.THydrogen-bonded Turntrans-884.917667.5-4.3000113.7A41 S45A41-D43 WeakPolarHBondContact CB-OD1 3.31Å; A41-D43 PolarHBondContact O-N 3.15Å; A41-D43 VanDerWaalsContact O-N 3.14Å; D43-S45 PolarHBondContact O-N 2.86Å; D43-S45 WeakPolarHBondContact OD1-CB 3.33Å; D43-S45 PolarHBondContact OD1-N 2.77Å; D43-S45 PolarHBondContact OD1-OG 2.8Å; D43-S45 PolarHBondContact OD2-OG 2.84Å
44G59.1Low53Low58 Ų5886 Ų8660%0.59846%0.463SS*.  trans76.44.7-178.200000114.5A41 A42A41-G44 PolarHBondContact O-N 3.13Å; A42-G44 VanDerWaalsContact C-N 3.33Å
45S53.1Low53.7Low51 Ų5182 Ų8236%0.35745%0.45SS..  trans-67.9143.8175.165.50000111.8A41 D43 L47A41-S45 WeakPolarHBondContact CB-O 3.39Å; A41-S45 WeakPolarHBondContact CB-OG 3.35Å; D43-S45 PolarHBondContact O-N 2.86Å; D43-S45 WeakPolarHBondContact OD1-CB 3.33Å; D43-S45 PolarHBondContact OD1-N 2.77Å; D43-S45 PolarHBondContact OD1-OG 2.8Å; D43-S45 PolarHBondContact OD2-OG 2.84Å; S45-L47 PolarHBondContact O-N 3.45Å
46R47.1Very low54.9Low153 Ų15379.1 Ų79.158%0.57744%0.437SS*.EExtended strand (participates in β ladder)trans-80.5109.7174.3-72.4-179175.9173.90.7108.7H48R46-H48 PolarHBondContact O-N 3.45Å
47L48.1Very low55.9Low93 Ų9376.9 Ų76.949%0.48743%0.432SS..EExtended strand (participates in β ladder)trans-83.1114.9170.3-71.6169.3000108.3I38 A41 S45 K49I38-L47 PolarHBondContact N-O 3.26Å; I38-L47 PolarHBondContact O-N 2.98Å; A41-L47 HydrophobicContact CB-CD1 4.05Å; A41-L47 HydrophobicContact CB-CG 4.19Å; S45-L47 PolarHBondContact O-N 3.45Å; L47-K49 PolarHBondContact O-N 2.99Å
48H45.9Very low56.8Low104 Ų10476.3 Ų76.348%0.48142%0.423SS..EExtended strand (participates in β ladder)trans-84.2108.3171.8-63.8-87.1000108.9L35 R46 L50L35-H48 HydrophobicContact CB-CB 4.21Å; L35-H48 HydrophobicContact CD2-CB 3.72Å; L35-H48 HydrophobicContact CG-CB 4.47Å; R46-H48 PolarHBondContact O-N 3.45Å; H48-L50 PolarHBondContact O-N 3.36Å
49K50.1Low57.6Low125 Ų12573.7 Ų73.754%0.54341%0.409SS..EExtended strand (participates in β ladder)trans-83.4116.5171-171.3172.7-178.2177.60108K36 I38 L47 V51K36-K49 PolarHBondContact N-O 2.85Å; K36-K49 PolarHBondContact O-N 2.8Å; I38-K49 HydrophobicContact CD1-CB 3.43Å; I38-K49 VanDerWaalsContact CD1-CB 3.43Å; I38-K49 HydrophobicContact CD1-CD 3.59Å; I38-K49 HydrophobicContact CD1-CG 4.12Å; I38-K49 HydrophobicContact CG1-CB 3.92Å; L47-K49 PolarHBondContact O-N 2.99Å; K49-V51 HydrophobicContact CG-CG2 4.32Å; K49-V51 PolarHBondContact O-N 3.09Å
50L50Low58.5Low103 Ų10368.8 Ų68.854%0.53939%0.393SS..EExtended strand (participates in β ladder)trans-67.7113.3162-78.3167.2000107.4L35 H48 P52L35-L50 HydrophobicContact CD2-CD2 3.41Å; L35-L50 VanDerWaalsContact CD2-CD2 3.41Å; L35-L50 HydrophobicContact CD2-CG 3.6Å; L35-L50 HydrophobicContact CG-CD2 4.02Å; H48-L50 PolarHBondContact O-N 3.36Å; L50-P52 WeakPolarHBondContact O-CD 3.41Å
51V55.7Low59Low22 Ų2271.4 Ų71.413%0.13339%0.391CS..  trans-97.4109.1169.6-178.40000106.1K22 K49 M53K22-V51 HydrophobicContact CB-CG1 4.11Å; K22-V51 HydrophobicContact CD-CG1 3.92Å; K22-V51 HydrophobicContact CG-CG1 4.11Å; K49-V51 HydrophobicContact CG-CG2 4.32Å; K49-V51 PolarHBondContact O-N 3.09Å; V51-M53 HydrophobicContact CG1-CG 4.26Å; V51-M53 WeakPolarHBondContact O-CG 3.11Å; V51-M53 PolarHBondContact O-N 3.17Å
52P55.5Low59.4Low51 Ų5170.9 Ų70.933%0.33139%0.385SS..  trans-58.4135.2170.523.6-33.4000109.3I21 K22 L50I21-P52 VanDerWaalsContact CA-O 3.31Å; I21-P52 WeakPolarHBondContact CA-O 3.45Å; I21-P52 HydrophobicContact CB-CB 4.47Å; I21-P52 HydrophobicContact CB-CG 4.32Å; I21-P52 HydrophobicContact CD1-CB 4.31Å; I21-P52 HydrophobicContact CD1-CG 4.42Å; I21-P52 HydrophobicContact CG1-CB 3.93Å; I21-P52 HydrophobicContact CG1-CG 3.66Å; I21-P52 HydrophobicContact CG2-CB 4.21Å; I21-P52 WeakPolarHBondContact CG2-O 3.3Å; K22-P52 PolarHBondContact N-O 2.78Å; L50-P52 WeakPolarHBondContact O-CD 3.41Å
53M62.8Low59.5Low25 Ų2567 Ų6712%0.12335%0.346CS..EExtended strand (participates in β ladder)trans-129156.2178.4-59.4-163.8-6100111.9K22 D24 P31 V32 Y34 V51K22-M53 WeakPolarHBondContact O-CA 3.29Å; K22-M53 VanDerWaalsContact O-CB 3.25Å; K22-M53 WeakPolarHBondContact O-CB 3.09Å; K22-M53 WeakPolarHBondContact O-CG 3.09Å; D24-M53 VanDerWaalsContact CA-SD 3.55Å; D24-M53 HydrophobicContact CB-CB 4.19Å; D24-M53 HydrophobicContact CB-CE 3.19Å; D24-M53 HydrophobicContact CB-CG 4.34Å; D24-M53 HydrophobicContact CB-SD 3.31Å; D24-M53 WeakPolarHBondContact CB-SD 3.35Å; P31-M53 HydrophobicContact CB-CB 4.18Å; P31-M53 WeakPolarHBondContact CB-O 3.48Å; P31-M53 WeakPolarHBondContact CG-O 3.46Å; V32-M53 WeakPolarHBondContact O-CE 3.26Å; Y34-M53 HydrophobicContact CD2-CE 3.31Å; Y34-M53 HydrophobicContact CE2-CE 3.8Å; Y34-M53 HydrophobicContact CG-CE 4.25Å; V51-M53 HydrophobicContact CG1-CG 4.26Å; V51-M53 WeakPolarHBondContact O-CG 3.11Å; V51-M53 PolarHBondContact O-N 3.17Å
54V64.9Low59.3Low10 Ų1066.5 Ų66.56%0.06134%0.344CS..EExtended strand (participates in β ladder)trans-102.1147.7-178.9-65.90000111.9I21 K22 W23 F58 R59 M62I21-V54 HydrophobicContact CG2-CG1 3.66Å; K22-V54 PolarHBondContact O-N 3.12Å; W23-V54 HydrophobicContact CB-CG2 4.22Å; V54-F58 HydrophobicContact CB-CB 4.33Å; V54-F58 HydrophobicContact CB-CD1 3.72Å; V54-F58 HydrophobicContact CB-CG 4.43Å; V54-F58 HydrophobicContact CG1-CD1 3.46Å; V54-F58 VanDerWaalsContact CG1-CD1 3.46Å; V54-F58 HydrophobicContact CG1-CE1 3.76Å; V54-F58 HydrophobicContact CG1-CG 4.48Å; V54-R59 HydrophobicContact CG2-CB 4.37Å; V54-M62 HydrophobicContact CG1-SD 4.21Å; V54-M62 HydrophobicContact CG2-SD 4.08Å
55S64Low59.3Low21 Ų2165.7 Ų65.715%0.14733%0.331CS..  trans-68.3164.5172.657.60000111.9K29 D57 F58 R59K29-S55 WeakPolarHBondContact O-CB 3.4Å; S55-D57 PolarHBondContact O-N 3.15Å; S55-F58 PolarHBondContact O-N 2.8Å; S55-F58 WeakPolarHBondContact OG-CB 3.48Å; S55-F58 PolarHBondContact OG-N 2.73Å; S55-R59 WeakPolarHBondContact O-CB 3.44Å; S55-R59 PolarHBondContact O-N 2.79Å
56V65.9Low59.2Low42 Ų4263.2 Ų63.226%0.25531%0.314SS..Hα-helixtrans-56.4-47.1171.4-178.80000112.1V26 K27 V28 F58 R59 Q60V26-V56 WeakPolarHBondContact O-CG2 3.26Å; K27-V56 VanDerWaalsContact C-CG2 3.46Å; K27-V56 HydrophobicContact CB-CG2 4.21Å; V28-V56 WeakPolarHBondContact O-CG2 3.36Å; V56-F58 PolarHBondContact O-N 2.73Å; V56-R59 CarbonylContact O-C 3.58Å; V56-R59 WeakPolarHBondContact O-CB 3.2Å; V56-R59 PolarHBondContact O-N 2.89Å; V56-R59 VanDerWaalsContact O-N 3.13Å; V56-Q60 PolarHBondContact O-N 3.11Å
57D66.3Low59.7Low87 Ų8756.1 Ų56.147%0.46529%0.288SS..Hα-helixtrans-62.4-36.4-178.6-62.5-12.5000111.2S55 K61S55-D57 PolarHBondContact O-N 3.15Å; D57-K61 WeakPolarHBondContact O-CG 3.38Å; D57-K61 PolarHBondContact O-N 3.05Å
58F65.4Low60Low51 Ų5152.3 Ų52.322%0.22427%0.268CS..Hα-helixtrans-74.1-38.1176.3-165.2-95.2000111.4F13 F16 V54 S55 V56 K61 M62F13-F58 HydrophobicContact CD1-CD1 4.18Å; F13-F58 AromaticContact CD1-CE1 3.39Å; F13-F58 HydrophobicContact CD1-CE1 3.39Å; F13-F58 HydrophobicContact CD1-CE2 4.21Å; F13-F58 AromaticContact CD1-CZ 3.42Å; F13-F58 HydrophobicContact CD1-CZ 3.42Å; F13-F58 VanDerWaalsContact CD1-CZ 3.42Å; F13-F58 AromaticContact CE1-CD1 3.97Å; F13-F58 HydrophobicContact CE1-CD1 3.97Å; F13-F58 HydrophobicContact CE1-CD2 4.1Å; F13-F58 AromaticContact CE1-CE1 3.49Å; F13-F58 HydrophobicContact CE1-CE1 3.49Å; F13-F58 VanDerWaalsContact CE1-CE1 3.49Å; F13-F58 AromaticContact CE1-CE2 3.59Å; F13-F58 HydrophobicContact CE1-CE2 3.59Å; F13-F58 HydrophobicContact CE1-CG 4.29Å; F13-F58 AromaticContact CE1-CZ 3.28Å; F13-F58 HydrophobicContact CE1-CZ 3.28Å; F16-F58 AromaticContact CD1-CE1 3.96Å; F16-F58 HydrophobicContact CD1-CE1 3.96Å; F16-F58 HydrophobicContact CD1-CZ 4.11Å; F16-F58 HydrophobicContact CD2-CZ 4.42Å; F16-F58 HydrophobicContact CE1-CE1 4.09Å; F16-F58 AromaticContact CE1-CZ 3.8Å; F16-F58 HydrophobicContact CE1-CZ 3.8Å; F16-F58 HydrophobicContact CE2-CZ 4.09Å; F16-F58 HydrophobicContact CG-CE1 4.28Å; F16-F58 HydrophobicContact CG-CZ 4.45Å; F16-F58 HydrophobicContact CZ-CE1 4.46Å; F16-F58 AromaticContact CZ-CZ 3.79Å; F16-F58 HydrophobicContact CZ-CZ 3.79Å; V54-F58 HydrophobicContact CB-CB 4.33Å; V54-F58 HydrophobicContact CB-CD1 3.72Å; V54-F58 HydrophobicContact CB-CG 4.43Å; V54-F58 HydrophobicContact CG1-CD1 3.46Å; V54-F58 VanDerWaalsContact CG1-CD1 3.46Å; V54-F58 HydrophobicContact CG1-CE1 3.76Å; V54-F58 HydrophobicContact CG1-CG 4.48Å; S55-F58 PolarHBondContact O-N 2.8Å; S55-F58 WeakPolarHBondContact OG-CB 3.48Å; S55-F58 PolarHBondContact OG-N 2.73Å; V56-F58 PolarHBondContact O-N 2.73Å; F58-K61 PolarHBondContact O-N 2.86Å; F58-M62 HydrophobicContact CD1-CG 4.04Å; F58-M62 HydrophobicContact CD1-SD 3.68Å; F58-M62 HydrophobicContact CE1-CG 4.13Å; F58-M62 HydrophobicContact CE1-SD 3.83Å; F58-M62 VanDerWaalsContact O-CG 3.29Å; F58-M62 WeakPolarHBondContact O-CG 3.4Å; F58-M62 PolarHBondContact O-N 3Å
59R67.6Low60.5Low16 Ų1647.9 Ų47.96%0.0625%0.249CC..Hα-helixtrans-60.1-42.7172.417362.2-167.8-133.68.8111.7W23 V54 S55 V56 K61 M62 E63 D72W23-R59 HydrophobicContact CD2-CG 4.27Å; W23-R59 HydrophobicContact CG-CG 4.13Å; V54-R59 HydrophobicContact CG2-CB 4.37Å; S55-R59 WeakPolarHBondContact O-CB 3.44Å; S55-R59 PolarHBondContact O-N 2.79Å; V56-R59 CarbonylContact O-C 3.58Å; V56-R59 WeakPolarHBondContact O-CB 3.2Å; V56-R59 PolarHBondContact O-N 2.89Å; V56-R59 VanDerWaalsContact O-N 3.13Å; R59-K61 VanDerWaalsContact C-N 3.35Å; R59-K61 PolarHBondContact O-N 3.39Å; R59-M62 VanDerWaalsContact O-CB 3.3Å; R59-M62 WeakPolarHBondContact O-CB 3.07Å; R59-M62 PolarHBondContact O-N 3.36Å; R59-M62 VanDerWaalsContact O-N 3.15Å; R59-E63 IonicContact CZ-OE1 2.66Å; R59-E63 IonicContact NE-OE1 3.75Å; R59-E63 PolarHBondContact NE-OE1 3.03Å; R59-E63 IonicContact NH2-OE1 3.91Å; R59-E63 PolarHBondContact NH2-OE1 3.02Å; R59-E63 WeakPolarHBondContact O-CG 3.44Å; R59-E63 PolarHBondContact O-N 3.18Å; R59-D72 IonicContact CZ-OD1 2.8Å; R59-D72 IonicContact CZ-OD2 2.77Å; R59-D72 IonicContact NH1-OD1 2.73Å; R59-D72 PolarHBondContact NH1-OD1 2.86Å; R59-D72 IonicContact NH1-OD2 3.49Å; R59-D72 PolarHBondContact NH1-OD2 2.98Å; R59-D72 IonicContact NH2-OD1 2.8Å; R59-D72 PolarHBondContact NH2-OD1 2.99Å; R59-D72 IonicContact NH2-OD2 3.19Å; R59-D72 PolarHBondContact NH2-OD2 3.21Å
60Q68.8Low60.6Low88 Ų8846.4 Ų46.441%0.41125%0.252SS..Hα-helixtrans-62.6-43.7175.1-171.363.159.800110.8V56 M62 E63 D64V56-Q60 PolarHBondContact O-N 3.11Å; Q60-M62 VanDerWaalsContact C-N 3.28Å; Q60-M62 PolarHBondContact O-N 3.32Å; Q60-E63 WeakPolarHBondContact O-CB 3.47Å; Q60-E63 PolarHBondContact O-N 3.35Å; Q60-D64 PolarHBondContact NE2-OD1 3.19Å; Q60-D64 WeakPolarHBondContact O-CB 3.49Å; Q60-D64 PolarHBondContact O-N 3.07Å
61K64.6Low60.8Low130 Ų13045.6 Ų45.657%0.56525%0.248SC*.Hα-helixtrans-62.9-33.9174.1-68.4174.9-177-176.30113F13 D57 F58 R59 A65F13-K61 HydrophobicContact CE1-CB 4.44Å; F13-K61 WeakPolarHBondContact CE2-O 3.23Å; F13-K61 HydrophobicContact CZ-CB 3.78Å; D57-K61 WeakPolarHBondContact O-CG 3.38Å; D57-K61 PolarHBondContact O-N 3.05Å; F58-K61 PolarHBondContact O-N 2.86Å; R59-K61 VanDerWaalsContact C-N 3.35Å; R59-K61 PolarHBondContact O-N 3.39Å; K61-A65 VanDerWaalsContact O-CB 3.23Å; K61-A65 WeakPolarHBondContact O-CB 2.96Å; K61-A65 PolarHBondContact O-N 3.2Å; K61-A65 VanDerWaalsContact O-N 3.09Å
62M63.2Low60.7Low12 Ų1245.9 Ų45.96%0.05925%0.249CC..Hα-helixtrans-63-50.2172.2-72172.790.200109.9F13 F16 I17 V54 F58 R59 Q60 A65 G66 V67F13-M62 HydrophobicContact CB-CE 3.89Å; F13-M62 HydrophobicContact CB-CG 3.89Å; F13-M62 HydrophobicContact CD1-CB 4.3Å; F13-M62 HydrophobicContact CD1-CE 4.38Å; F13-M62 HydrophobicContact CD1-CG 3.14Å; F13-M62 HydrophobicContact CD1-SD 4.12Å; F13-M62 HydrophobicContact CD2-CB 4.49Å; F13-M62 HydrophobicContact CD2-CG 4.08Å; F13-M62 HydrophobicContact CE1-CG 3.51Å; F13-M62 HydrophobicContact CE2-CG 4.41Å; F13-M62 HydrophobicContact CG-CB 4.26Å; F13-M62 HydrophobicContact CG-CE 4.45Å; F13-M62 HydrophobicContact CG-CG 3.44Å; F13-M62 VanDerWaalsContact CG-CG 3.44Å; F13-M62 HydrophobicContact CZ-CG 4.15Å; F16-M62 HydrophobicContact CB-CE 4.44Å; I17-M62 HydrophobicContact CD1-CE 4.14Å; I17-M62 HydrophobicContact CG1-CE 3.84Å; V54-M62 HydrophobicContact CG1-SD 4.21Å; V54-M62 HydrophobicContact CG2-SD 4.08Å; F58-M62 HydrophobicContact CD1-CG 4.04Å; F58-M62 HydrophobicContact CD1-SD 3.68Å; F58-M62 HydrophobicContact CE1-CG 4.13Å; F58-M62 HydrophobicContact CE1-SD 3.83Å; F58-M62 VanDerWaalsContact O-CG 3.29Å; F58-M62 WeakPolarHBondContact O-CG 3.4Å; F58-M62 PolarHBondContact O-N 3Å; R59-M62 VanDerWaalsContact O-CB 3.3Å; R59-M62 WeakPolarHBondContact O-CB 3.07Å; R59-M62 PolarHBondContact O-N 3.36Å; R59-M62 VanDerWaalsContact O-N 3.15Å; Q60-M62 VanDerWaalsContact C-N 3.28Å; Q60-M62 PolarHBondContact O-N 3.32Å; M62-A65 CarbonylContact O-C 3.57Å; M62-A65 WeakPolarHBondContact O-CA 3.46Å; M62-A65 PolarHBondContact O-N 2.98Å; M62-A65 VanDerWaalsContact O-N 3.15Å; M62-G66 PolarHBondContact O-N 3.22Å; M62-G66 VanDerWaalsContact O-N 3.12Å; M62-V67 HydrophobicContact CB-CB 4.06Å; M62-V67 HydrophobicContact CB-CG1 4.33Å; M62-V67 HydrophobicContact CE-CG1 3.84Å; M62-V67 WeakPolarHBondContact O-CA 3.48Å; M62-V67 WeakPolarHBondContact O-CB 3.33Å; M62-V67 PolarHBondContact O-N 2.91Å
63E64.2Low60.5Low37 Ų3751.5 Ų51.517%0.17327%0.268CS..Hα-helixtrans-59.3-48.9177.3-75.9175.7-179.500112.1R59 Q60 A65 G66 V79R59-E63 IonicContact CZ-OE1 2.66Å; R59-E63 IonicContact NE-OE1 3.75Å; R59-E63 PolarHBondContact NE-OE1 3.03Å; R59-E63 IonicContact NH2-OE1 3.91Å; R59-E63 PolarHBondContact NH2-OE1 3.02Å; R59-E63 WeakPolarHBondContact O-CG 3.44Å; R59-E63 PolarHBondContact O-N 3.18Å; Q60-E63 WeakPolarHBondContact O-CB 3.47Å; Q60-E63 PolarHBondContact O-N 3.35Å; E63-A65 PolarHBondContact O-N 3.18Å; E63-G66 WeakPolarHBondContact O-CA 3.36Å; E63-G66 PolarHBondContact O-N 3.19Å; E63-V79 HydrophobicContact CB-CG1 4.01Å; E63-V79 HydrophobicContact CB-CG2 4.21Å; E63-V79 HydrophobicContact CG-CG2 4.32Å; E63-V79 WeakPolarHBondContact O-CG1 3.46Å
64D63.2Low59.7Low117 Ų11756.8 Ų56.863%0.62629%0.287SS*.Hα-helixtrans-60.9-28.6177.5-61.3-17.2000111.9Q60 G66Q60-D64 PolarHBondContact NE2-OD1 3.19Å; Q60-D64 WeakPolarHBondContact O-CB 3.49Å; Q60-D64 PolarHBondContact O-N 3.07Å; D64-G66 VanDerWaalsContact C-N 3.3Å
65A58.5Low58.9Low41 Ų4157.2 Ų57.234%0.33929%0.291SS..THydrogen-bonded Turntrans-86.75.4172.500000113.7F13 K61 M62 E63 V67F13-A65 HydrophobicContact CD2-CB 3.85Å; F13-A65 HydrophobicContact CE2-CB 3.6Å; K61-A65 VanDerWaalsContact O-CB 3.23Å; K61-A65 WeakPolarHBondContact O-CB 2.96Å; K61-A65 PolarHBondContact O-N 3.2Å; K61-A65 VanDerWaalsContact O-N 3.09Å; M62-A65 CarbonylContact O-C 3.57Å; M62-A65 WeakPolarHBondContact O-CA 3.46Å; M62-A65 PolarHBondContact O-N 2.98Å; M62-A65 VanDerWaalsContact O-N 3.15Å; E63-A65 PolarHBondContact O-N 3.18Å; A65-V67 HydrophobicContact CB-CG2 4.5Å
66G52.1Low58Low0 Ų056.9 Ų56.90%029%0.288CS..THydrogen-bonded Turntrans78.417.4176.900000115.2M62 E63 D64 T83 F140M62-G66 PolarHBondContact O-N 3.22Å; M62-G66 VanDerWaalsContact O-N 3.12Å; E63-G66 WeakPolarHBondContact O-CA 3.36Å; E63-G66 PolarHBondContact O-N 3.19Å; D64-G66 VanDerWaalsContact C-N 3.3Å; G66-T83 WeakPolarHBondContact CA-OG1 3.36Å; G66-F140 WeakPolarHBondContact O-CZ 3.4Å
67V56.8Low57.2Low3 Ų359.5 Ų59.52%0.01830%0.301CS..PPolyproline II helixtrans-96.8118.2-174.5176.70000109.9F13 I17 M62 A65F13-V67 HydrophobicContact CB-CB 4.14Å; F13-V67 HydrophobicContact CB-CG1 3.81Å; F13-V67 HydrophobicContact CB-CG2 3.89Å; F13-V67 HydrophobicContact CD2-CG2 4.06Å; F13-V67 HydrophobicContact CG-CG2 4.4Å; I17-V67 HydrophobicContact CD1-CG1 3.28Å; I17-V67 HydrophobicContact CG1-CG1 4.16Å; M62-V67 HydrophobicContact CB-CB 4.06Å; M62-V67 HydrophobicContact CB-CG1 4.33Å; M62-V67 HydrophobicContact CE-CG1 3.84Å; M62-V67 WeakPolarHBondContact O-CA 3.48Å; M62-V67 WeakPolarHBondContact O-CB 3.33Å; M62-V67 PolarHBondContact O-N 2.91Å; A65-V67 HydrophobicContact CB-CG2 4.5Å
68L54.5Low56.3Low13 Ų1361 Ų617%0.06831%0.313CS..PPolyproline II helixtrans-101.9141.6-177.3-60.6-173.4000112.4I17 P75 V79 F140I17-L68 WeakPolarHBondContact CD1-O 2.99Å; L68-P75 HydrophobicContact CB-CB 4.32Å; L68-P75 VanDerWaalsContact CD1-C 3.46Å; L68-P75 HydrophobicContact CD1-CB 3.39Å; L68-P75 WeakPolarHBondContact CD1-O 3.32Å; L68-P75 HydrophobicContact CG-CB 4.44Å; L68-V79 HydrophobicContact CD2-CB 4.38Å; L68-F140 HydrophobicContact CD1-CD1 3.58Å; L68-F140 HydrophobicContact CD1-CE1 3.29Å; L68-F140 HydrophobicContact CG-CD1 4.03Å; L68-F140 HydrophobicContact CG-CE1 3.56Å; L68-F140 HydrophobicContact CG-CZ 4.5Å
69S56.2Low55.6Low12 Ų1260 Ų608%0.08431%0.311CS..PPolyproline II helixtrans-74.9141.1174.7172.80000110.8D71 D72S69-D71 PolarHBondContact O-N 2.78Å; S69-D71 VanDerWaalsContact O-N 3.11Å; S69-D71 PolarHBondContact OG-N 3.48Å; S69-D72 WeakPolarHBondContact CB-OD1 3.35Å; S69-D72 PolarHBondContact N-OD2 3.11Å; S69-D72 WeakPolarHBondContact O-CB 2.95Å; S69-D72 PolarHBondContact O-N 3.29Å
70P52.5Low55Low93 Ų9359.3 Ų59.360%0.60431%0.309SS*.THydrogen-bonded Turntrans-58.4-23.4171.4-20.230.8000113.6I17I17-P70 HydrophobicContact CG2-CG 3.55Å
71D53.3Low54.9Low86 Ų8657.8 Ų57.846%0.4630%0.304SS..THydrogen-bonded Turntrans-89.5-2.7179.5-61.6-40.2000112.6K22 S69 K73K22-D71 VanDerWaalsContact CD-OD2 3.26Å; K22-D71 WeakPolarHBondContact CD-OD2 3.05Å; K22-D71 WeakPolarHBondContact CE-OD2 3.18Å; K22-D71 WeakPolarHBondContact CG-OD2 3.35Å; K22-D71 IonicContact NZ-OD1 3.5Å; K22-D71 PolarHBondContact NZ-OD1 3.21Å; K22-D71 IonicContact NZ-OD2 3.96Å; K22-D71 PolarHBondContact NZ-OD2 3.36Å; S69-D71 PolarHBondContact O-N 2.78Å; S69-D71 VanDerWaalsContact O-N 3.11Å; S69-D71 PolarHBondContact OG-N 3.48Å; D71-K73 PolarHBondContact O-N 3.18Å
72D54Low55.4Low29 Ų2956.5 Ų56.516%0.15530%0.303CS..  trans-64.5122.6174.7-67.6-23.2000108.5R59 S69 Y74 P75R59-D72 IonicContact CZ-OD1 2.8Å; R59-D72 IonicContact CZ-OD2 2.77Å; R59-D72 IonicContact NH1-OD1 2.73Å; R59-D72 PolarHBondContact NH1-OD1 2.86Å; R59-D72 IonicContact NH1-OD2 3.49Å; R59-D72 PolarHBondContact NH1-OD2 2.98Å; R59-D72 IonicContact NH2-OD1 2.8Å; R59-D72 PolarHBondContact NH2-OD1 2.99Å; R59-D72 IonicContact NH2-OD2 3.19Å; R59-D72 PolarHBondContact NH2-OD2 3.21Å; S69-D72 WeakPolarHBondContact CB-OD1 3.35Å; S69-D72 PolarHBondContact N-OD2 3.11Å; S69-D72 WeakPolarHBondContact O-CB 2.95Å; S69-D72 PolarHBondContact O-N 3.29Å; D72-Y74 PolarHBondContact O-N 3.04Å; D72-P75 HydrophobicContact CB-CB 4.21Å; D72-P75 WeakPolarHBondContact O-CD 3.19Å
73K51.4Low56.1Low168 Ų16856.6 Ų56.673%0.7330%0.304SS*.SBendtrans-67.3-28.2-177.2-168.3179.2175.7-165.50112.2D71D71-K73 PolarHBondContact O-N 3.18Å
74Y47.3Very low57.2Low136 Ų13654.9 Ų54.953%0.53330%0.296SS..SBendtrans-139.467.6-178-57.5-73.1000110.3D72 C76 D77D72-Y74 PolarHBondContact O-N 3.04Å; Y74-C76 PolarHBondContact O-N 3.45Å; Y74-D77 WeakPolarHBondContact CB-OD2 3.13Å; Y74-D77 PolarHBondContact O-N 3.4Å
75P46.6Very low58.4Low20 Ų2051.7 Ų51.713%0.1328%0.279CS..THydrogen-bonded Turntrans-57.9-35.6-171.119.1-28.5000112.7L68 D72 V144L68-P75 HydrophobicContact CB-CB 4.32Å; L68-P75 VanDerWaalsContact CD1-C 3.46Å; L68-P75 HydrophobicContact CD1-CB 3.39Å; L68-P75 WeakPolarHBondContact CD1-O 3.32Å; L68-P75 HydrophobicContact CG-CB 4.44Å; D72-P75 HydrophobicContact CB-CB 4.21Å; D72-P75 WeakPolarHBondContact O-CD 3.19Å; P75-V144 HydrophobicContact CB-CG1 4.39Å; P75-V144 HydrophobicContact CB-CG2 3.86Å; P75-V144 HydrophobicContact CG-CB 4.4Å; P75-V144 HydrophobicContact CG-CG1 4.33Å; P75-V144 HydrophobicContact CG-CG2 3.22Å
76C46Very low59.8Low13 Ų1356.6 Ų56.69%0.08829%0.293CS..Iπ-helixtrans-72.4-26.5-179.248.80000114.6Y74 T78 N81Y74-C76 PolarHBondContact O-N 3.45Å; C76-T78 PolarHBondContact O-N 3.19Å; C76-N81 PolarHBondContact O-N 3.41Å; C76-N81 PolarHBondContact O-ND2 2.81Å; C76-N81 VanDerWaalsContact O-ND2 3.16Å; C76-N81 PolarHBondContact O-OD1 3.05Å
77D48.2Very low61.6Low97 Ų9756.7 Ų56.752%0.51929%0.293SS..Iπ-helixtrans-76.8-11.4-155.3-73.80.1000116.1Y74Y74-D77 WeakPolarHBondContact CB-OD2 3.13Å; Y74-D77 PolarHBondContact O-N 3.4Å
78T47.4Very low63.4Low120 Ų12056.8 Ų56.874%0.73629%0.294SS*.Iπ-helixtrans-136.7-34.8-176.337.30000115.8C76C76-T78 PolarHBondContact O-N 3.19Å
79V50.7Low65.4Low30 Ų3063.2 Ų63.218%0.18232%0.317CS..Iπ-helixtrans-127.3-30-175.9-174.20000111.8E63 L68 T83E63-V79 HydrophobicContact CB-CG1 4.01Å; E63-V79 HydrophobicContact CB-CG2 4.21Å; E63-V79 HydrophobicContact CG-CG2 4.32Å; E63-V79 WeakPolarHBondContact O-CG1 3.46Å; L68-V79 HydrophobicContact CD2-CB 4.38Å; V79-T83 PolarHBondContact O-N 2.94Å; V79-T83 PolarHBondContact O-OG1 2.83Å
80G55.4Low67.2Low0 Ų063.8 Ų63.80%032%0.318CS..Iπ-helixtrans-61.3-44.517900000112.7T83 M84G80-T83 PolarHBondContact O-N 3.14Å; G80-M84 WeakPolarHBondContact O-CB 3.49Å; G80-M84 WeakPolarHBondContact O-CG 3.17Å; G80-M84 PolarHBondContact O-N 3.3Å
81N66.8Low69.3Low57 Ų5759.3 Ų59.331%0.30529%0.29SS..Hα-helixtrans-61.6-49.8-175.8-75.6-19.9000113.1C76 T83 M84 D85C76-N81 PolarHBondContact O-N 3.41Å; C76-N81 PolarHBondContact O-ND2 2.81Å; C76-N81 VanDerWaalsContact O-ND2 3.16Å; C76-N81 PolarHBondContact O-OD1 3.05Å; N81-T83 VanDerWaalsContact C-N 3.28Å; N81-T83 PolarHBondContact O-N 3.16Å; N81-M84 PolarHBondContact O-N 2.94Å; N81-D85 WeakPolarHBondContact O-CB 3.33Å; N81-D85 VanDerWaalsContact O-CG 3.24Å; N81-D85 PolarHBondContact O-N 2.7Å
82D76.1Confident71.5Confident102 Ų10255.4 Ų55.455%0.54527%0.269SS..Hα-helixtrans-61.4-38.2180-75.69.5000112.3K86D82-K86 WeakPolarHBondContact O-CB 3.37Å; D82-K86 WeakPolarHBondContact O-CD 3.32Å; D82-K86 WeakPolarHBondContact O-CG 3.47Å; D82-K86 PolarHBondContact O-N 2.96Å; D82-K86 VanDerWaalsContact O-N 3.14Å
83T77.8Confident73.5Confident15 Ų1558.8 Ų58.89%0.09228%0.284CS..Hα-helixtrans-69.4-45.6177.1-570000110.6G66 V79 G80 N81 K86 V87 Y138 F140G66-T83 WeakPolarHBondContact CA-OG1 3.36Å; V79-T83 PolarHBondContact O-N 2.94Å; V79-T83 PolarHBondContact O-OG1 2.83Å; G80-T83 PolarHBondContact O-N 3.14Å; N81-T83 VanDerWaalsContact C-N 3.28Å; N81-T83 PolarHBondContact O-N 3.16Å; T83-K86 PolarHBondContact O-N 3.19Å; T83-V87 WeakPolarHBondContact O-CG2 3.22Å; T83-V87 PolarHBondContact O-N 2.84Å; T83-Y138 HydrophobicContact CG2-CD1 3.61Å; T83-Y138 HydrophobicContact CG2-CE1 3.62Å; T83-Y138 HydrophobicContact CG2-CG 4.3Å; T83-F140 HydrophobicContact CG2-CE2 4.01Å; T83-F140 HydrophobicContact CG2-CZ 3.96Å
84M85.7Confident75.7Confident0 Ų052 Ų520%025%0.254CS..Hα-helixtrans-60.3-47.4178-74174.3-172.300111.3G80 N81 K86 V87 E88 L134 F140 V144 R148G80-M84 WeakPolarHBondContact O-CB 3.49Å; G80-M84 WeakPolarHBondContact O-CG 3.17Å; G80-M84 PolarHBondContact O-N 3.3Å; N81-M84 PolarHBondContact O-N 2.94Å; M84-K86 VanDerWaalsContact C-N 3.3Å; M84-K86 PolarHBondContact O-N 2.83Å; M84-V87 PolarHBondContact O-N 3.28Å; M84-V87 VanDerWaalsContact O-N 3.15Å; M84-E88 WeakPolarHBondContact O-CB 3.47Å; M84-E88 WeakPolarHBondContact O-CG 3.36Å; M84-E88 PolarHBondContact O-N 3.1Å; M84-L134 HydrophobicContact CB-CD2 4.35Å; M84-L134 HydrophobicContact CG-CD1 4.19Å; M84-L134 HydrophobicContact CG-CD2 3.8Å; M84-F140 HydrophobicContact CE-CD1 3.44Å; M84-F140 VanDerWaalsContact CE-CD1 3.44Å; M84-F140 HydrophobicContact CE-CE1 3.56Å; M84-F140 HydrophobicContact CE-CG 4Å; M84-F140 HydrophobicContact CE-CZ 4.21Å; M84-F140 HydrophobicContact CG-CE1 4.48Å; M84-F140 HydrophobicContact CG-CE2 4.42Å; M84-F140 HydrophobicContact CG-CZ 4.25Å; M84-V144 HydrophobicContact CE-CG1 3.4Å; M84-R148 HydrophobicContact SD-CB 3.83Å; M84-R148 HydrophobicContact SD-CG 3.62Å
85D88.2Confident78.1Confident50 Ų5045.5 Ų45.527%0.26723%0.229SC..Hα-helixtrans-59.2-41.8177.9-71.6-11.7000111.4N81 E88 R89 R148N81-D85 WeakPolarHBondContact O-CB 3.33Å; N81-D85 VanDerWaalsContact O-CG 3.24Å; N81-D85 PolarHBondContact O-N 2.7Å; D85-E88 PolarHBondContact O-N 3.44Å; D85-R89 WeakPolarHBondContact O-CB 3.41Å; D85-R89 VanDerWaalsContact O-CG 3.28Å; D85-R89 WeakPolarHBondContact O-CG 3.16Å; D85-R89 PolarHBondContact O-N 3.3Å; D85-R148 IonicContact OD1-CZ 3.62Å; D85-R148 IonicContact OD1-NH1 2.72Å; D85-R148 IonicContact OD1-NH2 3.34Å; D85-R148 PolarHBondContact OD1-NH2 3.35Å
86K88.2Confident80.5Confident145 Ų14547.1 Ų47.163%0.6324%0.237SC*.Hα-helixtrans-63.8-44.5175.6-75.8170.5-173.5171.60112D82 T83 M84 M90D82-K86 WeakPolarHBondContact O-CB 3.37Å; D82-K86 WeakPolarHBondContact O-CD 3.32Å; D82-K86 WeakPolarHBondContact O-CG 3.47Å; D82-K86 PolarHBondContact O-N 2.96Å; D82-K86 VanDerWaalsContact O-N 3.14Å; T83-K86 PolarHBondContact O-N 3.19Å; M84-K86 VanDerWaalsContact C-N 3.3Å; M84-K86 PolarHBondContact O-N 2.83Å; K86-M90 WeakPolarHBondContact O-CB 3.29Å; K86-M90 PolarHBondContact O-N 3.34Å
87V90.2Very high82.9Confident2 Ų249.5 Ų49.51%0.01225%0.251CS..Hα-helixtrans-64.3-44.9177.6169.90000110.6T83 M84 M90 V91 V133 L134 Y138T83-V87 WeakPolarHBondContact O-CG2 3.22Å; T83-V87 PolarHBondContact O-N 2.84Å; M84-V87 PolarHBondContact O-N 3.28Å; M84-V87 VanDerWaalsContact O-N 3.15Å; V87-M90 PolarHBondContact O-N 2.84Å; V87-V91 HydrophobicContact CG1-CG2 4.25Å; V87-V91 WeakPolarHBondContact O-CB 3.48Å; V87-V91 VanDerWaalsContact O-CG2 3.27Å; V87-V91 WeakPolarHBondContact O-CG2 3.28Å; V87-V91 PolarHBondContact O-N 3.5Å; V87-V133 HydrophobicContact CG1-CB 3.95Å; V87-V133 HydrophobicContact CG1-CG1 3.59Å; V87-V133 HydrophobicContact CG2-CG1 4.26Å; V87-L134 HydrophobicContact CB-CD2 3.89Å; V87-L134 HydrophobicContact CG1-CD2 3.85Å; V87-L134 HydrophobicContact CG1-CG 4.03Å; V87-L134 HydrophobicContact CG2-CD2 4.06Å; V87-Y138 HydrophobicContact CG2-CD2 3.87Å; V87-Y138 HydrophobicContact CG2-CE2 3.36Å
88E95Very high85.1Confident5 Ų544.9 Ų44.92%0.02323%0.226CC..Hα-helixtrans-57.9-51.1177.8-74.7165.6-163.800111.2M84 D85 V91 C92 A109 L112 Y113 V130 R148M84-E88 WeakPolarHBondContact O-CB 3.47Å; M84-E88 WeakPolarHBondContact O-CG 3.36Å; M84-E88 PolarHBondContact O-N 3.1Å; D85-E88 PolarHBondContact O-N 3.44Å; E88-V91 PolarHBondContact O-N 3.5Å; E88-C92 WeakPolarHBondContact O-CB 3.38Å; E88-C92 PolarHBondContact O-N 3.02Å; E88-C92 PolarHBondContact O-SG 3.01Å; E88-A109 HydrophobicContact CB-CB 4.41Å; E88-L112 HydrophobicContact CB-CD2 4.36Å; E88-L112 HydrophobicContact CG-CD2 3.95Å; E88-Y113 WeakPolarHBondContact OE1-CE2 3.23Å; E88-Y113 PolarHBondContact OE1-OH 3.36Å; E88-V130 HydrophobicContact CG-CG1 3.68Å; E88-V130 HydrophobicContact CG-CG2 4.37Å; E88-R148 IonicContact OE1-CZ 2.94Å; E88-R148 IonicContact OE1-NE 3.84Å; E88-R148 PolarHBondContact OE1-NE 3.38Å; E88-R148 IonicContact OE1-NH2 3.93Å; E88-R148 PolarHBondContact OE1-NH2 3.43Å; E88-R148 IonicContact OE2-CZ 2.83Å; E88-R148 IonicContact OE2-NE 2.82Å; E88-R148 IonicContact OE2-NH2 2.7Å; E88-R148 PolarHBondContact OE2-NH2 3Å
89R95.8Very high87.4Confident148 Ų14839.2 Ų39.256%0.55819%0.192SC*.Hα-helixtrans-61.5-49.4177.3-71.4176.2-175.7-168.82.6112.1D85 V91 C92 E93 A109D85-R89 WeakPolarHBondContact O-CB 3.41Å; D85-R89 VanDerWaalsContact O-CG 3.28Å; D85-R89 WeakPolarHBondContact O-CG 3.16Å; D85-R89 PolarHBondContact O-N 3.3Å; R89-V91 VanDerWaalsContact C-N 3.34Å; R89-V91 PolarHBondContact O-N 3.48Å; R89-C92 PolarHBondContact O-N 2.82Å; R89-E93 VanDerWaalsContact O-CG 3.31Å; R89-E93 WeakPolarHBondContact O-CG 3Å; R89-E93 PolarHBondContact O-N 3.44Å; R89-A109 HydrophobicContact CG-CB 4.01Å
90M94.8Very high89.5Confident23 Ų2342 Ų4211%0.11321%0.212CC..Hα-helixtrans-58-46.9179.9177.9-82.6-67.600111.5K86 V87 E93 Q94 I180 R183 L184K86-M90 WeakPolarHBondContact O-CB 3.29Å; K86-M90 PolarHBondContact O-N 3.34Å; V87-M90 PolarHBondContact O-N 2.84Å; M90-E93 WeakPolarHBondContact O-CB 3.34Å; M90-E93 PolarHBondContact O-N 3.29Å; M90-Q94 WeakPolarHBondContact O-CG 3.21Å; M90-Q94 PolarHBondContact O-N 3.45Å; M90-Q94 VanDerWaalsContact O-N 3.09Å; M90-Q94 HydrophobicContact SD-CG 4.12Å; M90-I180 HydrophobicContact CE-CG2 4.37Å; M90-I180 HydrophobicContact SD-CG1 4.48Å; M90-I180 HydrophobicContact SD-CG2 4.46Å; M90-R183 HydrophobicContact CG-CG 3.6Å; M90-R183 HydrophobicContact SD-CB 4.28Å; M90-R183 HydrophobicContact SD-CG 3.91Å; M90-L184 HydrophobicContact CE-CD2 3.77Å; M90-L184 HydrophobicContact CE-CG 4.13Å
91V97.3Very high91.2Very high0 Ų046.7 Ų46.70%024%0.241CC..Hα-helixtrans-66.4-43.4179.11710000110.9V87 E88 R89 E93 Q94 V95 F129 V130 V133 I180V87-V91 HydrophobicContact CG1-CG2 4.25Å; V87-V91 WeakPolarHBondContact O-CB 3.48Å; V87-V91 VanDerWaalsContact O-CG2 3.27Å; V87-V91 WeakPolarHBondContact O-CG2 3.28Å; V87-V91 PolarHBondContact O-N 3.5Å; E88-V91 PolarHBondContact O-N 3.5Å; R89-V91 VanDerWaalsContact C-N 3.34Å; R89-V91 PolarHBondContact O-N 3.48Å; V91-E93 VanDerWaalsContact C-N 3.31Å; V91-E93 PolarHBondContact O-N 3.03Å; V91-Q94 PolarHBondContact O-N 3.14Å; V91-V95 HydrophobicContact CG1-CG2 4.15Å; V91-V95 WeakPolarHBondContact O-CB 3.31Å; V91-V95 VanDerWaalsContact O-CG2 3.29Å; V91-V95 WeakPolarHBondContact O-CG2 3.39Å; V91-V95 PolarHBondContact O-N 2.75Å; V91-F129 HydrophobicContact CG1-CB 3.56Å; V91-V130 HydrophobicContact CB-CG2 3.58Å; V91-V130 HydrophobicContact CG1-CG2 3.6Å; V91-V130 HydrophobicContact CG2-CG2 4.03Å; V91-V133 HydrophobicContact CG2-CG2 4.3Å; V91-I180 HydrophobicContact CB-CD1 4.5Å; V91-I180 HydrophobicContact CG1-CD1 4.03Å; V91-I180 HydrophobicContact CG2-CD1 4.1Å
92C97.7Very high92.3Very high4 Ų447.4 Ų47.43%0.02724%0.242CC..Hα-helixtrans-58.6-41.7175.8-770000111.9E88 R89 V95 N96 V107E88-C92 WeakPolarHBondContact O-CB 3.38Å; E88-C92 PolarHBondContact O-N 3.02Å; E88-C92 PolarHBondContact O-SG 3.01Å; R89-C92 PolarHBondContact O-N 2.82Å; C92-V95 PolarHBondContact O-N 3.13Å; C92-N96 WeakPolarHBondContact O-CB 3.35Å; C92-N96 PolarHBondContact O-N 2.91Å; C92-N96 PolarHBondContact O-ND2 3.45Å; C92-N96 PolarHBondContact O-OD1 3.34Å; C92-V107 HydrophobicContact CB-CG1 4.39Å
93E97Very high93Very high99 Ų9951.6 Ų51.646%0.46326%0.259SS..Hα-helixtrans-60.4-45.2174.7-72.3167.8-172.700112.4R89 M90 V91 N96 T97R89-E93 VanDerWaalsContact O-CG 3.31Å; R89-E93 WeakPolarHBondContact O-CG 3Å; R89-E93 PolarHBondContact O-N 3.44Å; M90-E93 WeakPolarHBondContact O-CB 3.34Å; M90-E93 PolarHBondContact O-N 3.29Å; V91-E93 VanDerWaalsContact C-N 3.31Å; V91-E93 PolarHBondContact O-N 3.03Å; E93-N96 PolarHBondContact O-N 3.48Å; E93-T97 PolarHBondContact O-N 2.82Å; E93-T97 PolarHBondContact O-OG1 3.35Å
94Q96.8Very high93.6Very high25 Ų2555.4 Ų55.412%0.11727%0.274CS..Hα-helixtrans-68.5-38.9178.6-60.7-37.3-58.800112M90 V91 T97 A98 L179 I180 R183M90-Q94 WeakPolarHBondContact O-CG 3.21Å; M90-Q94 PolarHBondContact O-N 3.45Å; M90-Q94 VanDerWaalsContact O-N 3.09Å; M90-Q94 HydrophobicContact SD-CG 4.12Å; V91-Q94 PolarHBondContact O-N 3.14Å; Q94-T97 WeakPolarHBondContact O-CB 3.46Å; Q94-T97 PolarHBondContact O-N 2.7Å; Q94-A98 PolarHBondContact O-N 3.13Å; Q94-A98 VanDerWaalsContact O-N 3.17Å; Q94-L179 HydrophobicContact CB-CB 4.01Å; Q94-L179 HydrophobicContact CG-CB 4.23Å; Q94-L179 WeakPolarHBondContact O-CD1 3.41Å; Q94-I180 HydrophobicContact CB-CG1 3.83Å; Q94-I180 HydrophobicContact CG-CG1 3.97Å; Q94-R183 HydrophobicContact CG-CB 4.48Å
95V97.6Very high93.8Very high0 Ų063.6 Ų63.60%031%0.312CS..Hα-helixtrans-63.1-44.1174.1171.50000110.7V91 C92 T97 A98 M99 V107 V125 A126 V176V91-V95 HydrophobicContact CG1-CG2 4.15Å; V91-V95 WeakPolarHBondContact O-CB 3.31Å; V91-V95 VanDerWaalsContact O-CG2 3.29Å; V91-V95 WeakPolarHBondContact O-CG2 3.39Å; V91-V95 PolarHBondContact O-N 2.75Å; C92-V95 PolarHBondContact O-N 3.13Å; V95-T97 VanDerWaalsContact C-N 3.27Å; V95-T97 PolarHBondContact O-N 3.41Å; V95-A98 WeakPolarHBondContact O-CB 3.43Å; V95-A98 PolarHBondContact O-N 3.18Å; V95-A98 VanDerWaalsContact O-N 3.1Å; V95-M99 HydrophobicContact CG1-CE 3.88Å; V95-M99 HydrophobicContact CG1-CG 4.07Å; V95-M99 VanDerWaalsContact O-CG 3.3Å; V95-M99 WeakPolarHBondContact O-CG 3.2Å; V95-M99 PolarHBondContact O-N 3.29Å; V95-V107 HydrophobicContact CG1-CG1 4.11Å; V95-V125 HydrophobicContact CG1-CB 4.49Å; V95-V125 HydrophobicContact CG1-CG1 4.34Å; V95-V125 HydrophobicContact CG2-CG1 4.12Å; V95-A126 HydrophobicContact CB-CB 4.44Å; V95-A126 HydrophobicContact CG1-CB 4.36Å; V95-A126 HydrophobicContact CG2-CB 4.09Å; V95-V176 HydrophobicContact CG2-CG1 3.74Å; V95-V176 HydrophobicContact CG2-CG2 4.28Å
96N97.8Very high94.1Very high54 Ų5463 Ų6329%0.28932%0.318SS..Hα-helixtrans-63.8-34.5178.8-71-16.2000112.4C92 E93 M99 S100 G106 V107C92-N96 WeakPolarHBondContact O-CB 3.35Å; C92-N96 PolarHBondContact O-N 2.91Å; C92-N96 PolarHBondContact O-ND2 3.45Å; C92-N96 PolarHBondContact O-OD1 3.34Å; E93-N96 PolarHBondContact O-N 3.48Å; N96-M99 PolarHBondContact O-N 2.66Å; N96-S100 WeakPolarHBondContact O-CB 3.29Å; N96-S100 PolarHBondContact O-N 2.93Å; N96-G106 WeakPolarHBondContact OD1-CA 3.39Å; N96-V107 PolarHBondContact ND2-O 2.89Å; N96-V107 PolarHBondContact OD1-N 2.9Å; N96-V107 PolarHBondContact OD1-O 3.43Å
97T96.5Very high94.4Very high64 Ų6456.7 Ų56.739%0.39329%0.292SS..Hα-helixtrans-60.8-45.1172.2-590000111.1E93 Q94 V95 T101 L179E93-T97 PolarHBondContact O-N 2.82Å; E93-T97 PolarHBondContact O-OG1 3.35Å; Q94-T97 WeakPolarHBondContact O-CB 3.46Å; Q94-T97 PolarHBondContact O-N 2.7Å; V95-T97 VanDerWaalsContact C-N 3.27Å; V95-T97 PolarHBondContact O-N 3.41Å; T97-T101 PolarHBondContact O-N 2.96Å; T97-T101 PolarHBondContact O-OG1 2.81Å; T97-L179 HydrophobicContact CG2-CD1 4.03Å
98A95.3Very high94.6Very high0 Ų060.4 Ų60.40%031%0.311CS..Hα-helixtrans-66.1-43.7175.200000112.3Q94 V95 S100 T101 E102 Y175 V176 L179Q94-A98 PolarHBondContact O-N 3.13Å; Q94-A98 VanDerWaalsContact O-N 3.17Å; V95-A98 WeakPolarHBondContact O-CB 3.43Å; V95-A98 PolarHBondContact O-N 3.18Å; V95-A98 VanDerWaalsContact O-N 3.1Å; A98-S100 PolarHBondContact O-N 3.48Å; A98-T101 WeakPolarHBondContact O-CB 3.34Å; A98-T101 PolarHBondContact O-N 3.34Å; A98-E102 PolarHBondContact O-N 2.67Å; A98-Y175 HydrophobicContact CB-CD1 3.82Å; A98-Y175 HydrophobicContact CB-CE1 4.23Å; A98-V176 HydrophobicContact CB-CG2 3.42Å; A98-V176 VanDerWaalsContact CB-CG2 3.42Å; A98-L179 HydrophobicContact CB-CD1 4.45Å
99M95.2Very high94.6Very high1 Ų160.6 Ų60.61%0.00531%0.314CS..Hα-helixtrans-64.1-39.8179.1-65-60.6147.400112.1V95 N96 T101 E102 E103 K104 F121 A122 V125 T172V95-M99 HydrophobicContact CG1-CE 3.88Å; V95-M99 HydrophobicContact CG1-CG 4.07Å; V95-M99 VanDerWaalsContact O-CG 3.3Å; V95-M99 WeakPolarHBondContact O-CG 3.2Å; V95-M99 PolarHBondContact O-N 3.29Å; N96-M99 PolarHBondContact O-N 2.66Å; M99-T101 PolarHBondContact O-N 2.72Å; M99-E102 CarbonylContact O-C 3.53Å; M99-E102 PolarHBondContact O-N 3.15Å; M99-E103 PolarHBondContact O-N 2.96Å; M99-E103 VanDerWaalsContact O-N 3.15Å; M99-K104 HydrophobicContact CB-CB 4.15Å; M99-K104 PolarHBondContact O-N 3.3Å; M99-K104 HydrophobicContact SD-CB 4.13Å; M99-K104 HydrophobicContact SD-CD 4.14Å; M99-F121 HydrophobicContact CE-CD1 3.92Å; M99-F121 HydrophobicContact CE-CE1 3.77Å; M99-F121 HydrophobicContact SD-CD1 4.09Å; M99-F121 HydrophobicContact SD-CE1 4.28Å; M99-A122 HydrophobicContact CE-CB 4.23Å; M99-A122 HydrophobicContact CG-CB 3.84Å; M99-A122 HydrophobicContact SD-CB 3.96Å; M99-V125 HydrophobicContact CE-CB 4.24Å; M99-V125 HydrophobicContact CE-CG1 4.38Å; M99-V125 HydrophobicContact CE-CG2 4Å; M99-T172 HydrophobicContact CE-CG2 3.82Å
100S94Very high94.3Very high88 Ų8859.4 Ų59.462%0.61532%0.318SS*.Hα-helixtrans-63.3-31.6176.3-174.20000112.4N96 A98 E102 E103N96-S100 WeakPolarHBondContact O-CB 3.29Å; N96-S100 PolarHBondContact O-N 2.93Å; A98-S100 PolarHBondContact O-N 3.48Å; S100-E102 PolarHBondContact O-N 2.79Å; S100-E103 PolarHBondContact O-N 3.36Å
101T92.1Very high94.1Very high98 Ų9861.9 Ų61.960%0.60133%0.332SS*.Hα-helixtrans-68.2-26175.4-55.20000111.7T97 A98 M99T97-T101 PolarHBondContact O-N 2.96Å; T97-T101 PolarHBondContact O-OG1 2.81Å; A98-T101 WeakPolarHBondContact O-CB 3.34Å; A98-T101 PolarHBondContact O-N 3.34Å; M99-T101 PolarHBondContact O-N 2.72Å
102E89.4Confident93.9Very high72 Ų7261.9 Ų61.934%0.33633%0.332SS..THydrogen-bonded Turntrans-100.910.8178-61.5-173.5-175.400113.2A98 M99 S100 K104 T172A98-E102 PolarHBondContact O-N 2.67Å; M99-E102 CarbonylContact O-C 3.53Å; M99-E102 PolarHBondContact O-N 3.15Å; S100-E102 PolarHBondContact O-N 2.79Å; E102-K104 HydrophobicContact CB-CD 4.03Å; E102-K104 HydrophobicContact CB-CG 4.18Å; E102-K104 PolarHBondContact O-N 3.36Å; E102-K104 VanDerWaalsContact OE2-CE 3.31Å; E102-K104 WeakPolarHBondContact OE2-CE 3.27Å; E102-K104 IonicContact OE2-NZ 2.65Å; E102-K104 PolarHBondContact OE2-NZ 3.27Å; E102-T172 PolarHBondContact OE1-OG1 3.48Å
103E89.9Confident93.7Very high190 Ų19063.7 Ų63.789%0.88834%0.339SS*.THydrogen-bonded Turntrans54.833.8-176.2-57.1-178.2173.500113.5M99 S100M99-E103 PolarHBondContact O-N 2.96Å; M99-E103 VanDerWaalsContact O-N 3.15Å; S100-E103 PolarHBondContact O-N 3.36Å
104K90.5Very high93.3Very high96 Ų9662.7 Ų62.742%0.41734%0.339SS..  trans-103.2154.6179.8-70.7174.4-177.3169.40112.1M99 E102M99-K104 HydrophobicContact CB-CB 4.15Å; M99-K104 PolarHBondContact O-N 3.3Å; M99-K104 HydrophobicContact SD-CB 4.13Å; M99-K104 HydrophobicContact SD-CD 4.14Å; E102-K104 HydrophobicContact CB-CD 4.03Å; E102-K104 HydrophobicContact CB-CG 4.18Å; E102-K104 PolarHBondContact O-N 3.36Å; E102-K104 VanDerWaalsContact OE2-CE 3.31Å; E102-K104 WeakPolarHBondContact OE2-CE 3.27Å; E102-K104 IonicContact OE2-NZ 2.65Å; E102-K104 PolarHBondContact OE2-NZ 3.27Å
105E91.8Very high92.7Very high172 Ų17263.3 Ų63.380%0.80435%0.353SS*.  trans-64.5138.9173.2-167.4178.8-176.600111.3A122E105-A122 WeakPolarHBondContact O-CB 3.34Å
106G93.2Very high91.9Very high37 Ų3768.7 Ų68.738%0.38138%0.381SS..  trans-82.2-165.4179.300000114.2N96N96-G106 WeakPolarHBondContact OD1-CA 3.39Å
107V95.4Very high91.1Very high13 Ų1371.7 Ų71.78%0.07940%0.402CS..  trans-138.6139.5178.8590000110.1C92 V95 N96 L112 A122 R123 A126C92-V107 HydrophobicContact CB-CG1 4.39Å; V95-V107 HydrophobicContact CG1-CG1 4.11Å; N96-V107 PolarHBondContact ND2-O 2.89Å; N96-V107 PolarHBondContact OD1-N 2.9Å; N96-V107 PolarHBondContact OD1-O 3.43Å; V107-L112 HydrophobicContact CG2-CD1 4.46Å; V107-A122 HydrophobicContact CB-CB 4.29Å; V107-A122 HydrophobicContact CG1-CB 4.46Å; V107-R123 HydrophobicContact CG2-CB 4.1Å; V107-R123 HydrophobicContact CG2-CG 4.23Å; V107-A126 HydrophobicContact CG1-CB 3.82Å
108N94.6Very high90.6Very high80 Ų8076.6 Ų76.643%0.42843%0.426SS..  trans-95.5143.5168.5-171-0.7000110D110 D111 L112N108-D110 VanDerWaalsContact C-N 3.25Å; N108-D110 PolarHBondContact ND2-OD2 3Å; N108-D110 VanDerWaalsContact ND2-OD2 3.12Å; N108-D110 PolarHBondContact O-N 3.38Å; N108-D110 PolarHBondContact OD1-N 3.34Å; N108-D111 PolarHBondContact O-N 3.45Å; N108-L112 PolarHBondContact O-N 2.97Å
109A93.3Very high90.3Very high9 Ų978.7 Ų78.77%0.07444%0.436CS..G310 helixtrans-58.7-37.217500000111.9E88 R89 D111 L112E88-A109 HydrophobicContact CB-CB 4.41Å; R89-A109 HydrophobicContact CG-CB 4.01Å; A109-D111 PolarHBondContact O-N 3.01Å; A109-L112 WeakPolarHBondContact O-CB 3.24Å; A109-L112 PolarHBondContact O-N 3.44Å
110D90.8Very high90.2Very high122 Ų12281.9 Ų81.965%0.65246%0.457SS*.G310 helixtrans-62.9-30.3179.3-56.4-41.5000112.5N108N108-D110 VanDerWaalsContact C-N 3.25Å; N108-D110 PolarHBondContact ND2-OD2 3Å; N108-D110 VanDerWaalsContact ND2-OD2 3.12Å; N108-D110 PolarHBondContact O-N 3.38Å; N108-D110 PolarHBondContact OD1-N 3.34Å
111D90.3Very high90.2Very high76 Ų7681.8 Ų81.841%0.40645%0.446SS..G310 helixtrans-95.83.5179.4-65.1-47.7000112.9N108 A109 Y113 V114 R123N108-D111 PolarHBondContact O-N 3.45Å; A109-D111 PolarHBondContact O-N 3.01Å; D111-Y113 VanDerWaalsContact C-N 3.29Å; D111-Y113 PolarHBondContact O-N 3.01Å; D111-V114 HydrophobicContact CB-CG2 4.45Å; D111-V114 PolarHBondContact O-N 2.98Å; D111-R123 WeakPolarHBondContact O-CD 3.42Å; D111-R123 PolarHBondContact O-NE 2.94Å; D111-R123 VanDerWaalsContact O-NE 3.12Å
112L93.4Very high90.3Very high0 Ų077.4 Ų77.40%042%0.419CS..THydrogen-bonded Turntrans-58.1-44.9-169.4-177.364.4000110.6E88 V107 N108 A109 R123 A126 R127 V130E88-L112 HydrophobicContact CB-CD2 4.36Å; E88-L112 HydrophobicContact CG-CD2 3.95Å; V107-L112 HydrophobicContact CG2-CD1 4.46Å; N108-L112 PolarHBondContact O-N 2.97Å; A109-L112 WeakPolarHBondContact O-CB 3.24Å; A109-L112 PolarHBondContact O-N 3.44Å; L112-R123 WeakPolarHBondContact O-CD 3.48Å; L112-R123 WeakPolarHBondContact O-CG 3.33Å; L112-A126 HydrophobicContact CD1-CB 3.63Å; L112-R127 HydrophobicContact CD1-CG 3.84Å; L112-R127 HydrophobicContact CG-CG 4.12Å; L112-R127 PolarHBondContact O-NE 3.13Å; L112-R127 PolarHBondContact O-NH2 3.29Å; L112-V130 HydrophobicContact CD2-CB 4.22Å; L112-V130 HydrophobicContact CD2-CG1 4.2Å; L112-V130 HydrophobicContact CD2-CG2 3.8Å
113Y92.4Very high90.6Very high41 Ų4176.3 Ų76.316%0.16141%0.412CS..THydrogen-bonded Turntrans-95.24.8-176.2-56.1-54.8000114.6E88 D111 G115 R127 V130 L131 R148 A149E88-Y113 WeakPolarHBondContact OE1-CE2 3.23Å; E88-Y113 PolarHBondContact OE1-OH 3.36Å; D111-Y113 VanDerWaalsContact C-N 3.29Å; D111-Y113 PolarHBondContact O-N 3.01Å; Y113-G115 PolarHBondContact O-N 2.78Å; Y113-R127 VanDerWaalsContact CA-NH2 3.31Å; Y113-R127 PolarHBondContact O-NH2 3.16Å; Y113-V130 WeakPolarHBondContact OH-CG1 3.29Å; Y113-L131 HydrophobicContact CE1-CD1 4Å; Y113-R148 HydrophobicContact CE2-CG 4.22Å; Y113-A149 HydrophobicContact CD1-CB 3.44Å; Y113-A149 VanDerWaalsContact CD1-CB 3.44Å; Y113-A149 HydrophobicContact CD2-CB 4.34Å; Y113-A149 HydrophobicContact CE1-CB 3.38Å; Y113-A149 HydrophobicContact CE2-CB 4.28Å; Y113-A149 HydrophobicContact CG-CB 3.95Å
114V89Confident90.8Very high78 Ų7868.5 Ų68.547%0.47338%0.38SS..SBendtrans-70.4119.6177.2179.80000111.2D111 R123 R127D111-V114 HydrophobicContact CB-CG2 4.45Å; D111-V114 PolarHBondContact O-N 2.98Å; V114-R123 PolarHBondContact O-NH1 3.37Å; V114-R127 PolarHBondContact O-NH2 3.11Å
115G85.3Confident91Very high39 Ų3963.9 Ų63.940%0.40236%0.36SS..  trans81151.5176.600000114.2Y113 R127Y113-G115 PolarHBondContact O-N 2.78Å; G115-R127 VanDerWaalsContact O-CZ 3.24Å; G115-R127 PolarHBondContact O-NH1 3.04Å; G115-R127 PolarHBondContact O-NH2 3.28Å
116N79.1Confident91.3Very high112 Ų11255.7 Ų55.760%0.59932%0.322SS*.SBendtrans-116.2-19.5-176.5-77.5-31.8000114.3
117T81.7Confident91.4Very high117 Ų11754.9 Ų54.972%0.71831%0.307SS*.SBendtrans-127.9149.3-178.351.60000110I119T117-I119 PolarHBondContact O-N 3.21Å; T117-I119 VanDerWaalsContact O-N 3.14Å
118N85.2Confident91.4Very high168 Ų16854.7 Ų54.790%0.89831%0.306SS*.SBendtrans50.637.4177.4-59.7-22.5000114.9
119I90.5Very high91.5Very high43 Ų4351 Ų5122%0.22129%0.286CS..  trans-71.1150.8177.960.4172.6000111.4T117 R123 A124T117-I119 PolarHBondContact O-N 3.21Å; T117-I119 VanDerWaalsContact O-N 3.14Å; I119-R123 HydrophobicContact CD1-CG 4.41Å; I119-A124 HydrophobicContact CD1-CB 3.88Å; I119-A124 HydrophobicContact CG1-CB 4.11Å
120P92.8Very high91.7Very high69 Ų6950.5 Ų50.545%0.44828%0.282SS..  trans-55.9149.3174.4-25.534.8000112.6A122 R123 A124P120-A122 PolarHBondContact O-N 2.88Å; P120-R123 WeakPolarHBondContact O-CB 3.33Å; P120-R123 PolarHBondContact O-N 3.29Å; P120-R123 VanDerWaalsContact O-N 3.14Å; P120-A124 PolarHBondContact O-N 3.25Å
121F93.4Very high91.8Very high85 Ų8544.8 Ų44.837%0.37325%0.252SS..Hα-helixtrans-56.9-46.7-176.6177.3-108.4000112.8M99 R123 A124 V125 T172 Y173M99-F121 HydrophobicContact CE-CD1 3.92Å; M99-F121 HydrophobicContact CE-CE1 3.77Å; M99-F121 HydrophobicContact SD-CD1 4.09Å; M99-F121 HydrophobicContact SD-CE1 4.28Å; F121-R123 VanDerWaalsContact C-N 3.28Å; F121-R123 PolarHBondContact O-N 2.85Å; F121-A124 WeakPolarHBondContact O-CB 3.33Å; F121-A124 PolarHBondContact O-N 3.09Å; F121-V125 HydrophobicContact CD1-CG2 4.11Å; F121-V125 HydrophobicContact CD2-CG2 4.17Å; F121-V125 HydrophobicContact CE1-CG2 3.77Å; F121-V125 HydrophobicContact CE2-CG2 3.82Å; F121-V125 HydrophobicContact CG-CG2 4.31Å; F121-V125 HydrophobicContact CZ-CG2 3.61Å; F121-V125 VanDerWaalsContact O-CG2 3.24Å; F121-V125 WeakPolarHBondContact O-CG2 3.25Å; F121-V125 PolarHBondContact O-N 3.06Å; F121-T172 HydrophobicContact CE1-CG2 4.15Å; F121-Y173 HydrophobicContact CE2-CE2 4.37Å; F121-Y173 HydrophobicContact CZ-CE2 4.36Å
122A94.8Very high91.7Very high6 Ų641.9 Ų41.95%0.0524%0.236CC..Hα-helixtrans-56.8-41.9178.300000112.3M99 E105 V107 P120 V125 A126M99-A122 HydrophobicContact CE-CB 4.23Å; M99-A122 HydrophobicContact CG-CB 3.84Å; M99-A122 HydrophobicContact SD-CB 3.96Å; E105-A122 WeakPolarHBondContact O-CB 3.34Å; V107-A122 HydrophobicContact CB-CB 4.29Å; V107-A122 HydrophobicContact CG1-CB 4.46Å; P120-A122 PolarHBondContact O-N 2.88Å; A122-V125 PolarHBondContact O-N 2.98Å; A122-A126 WeakPolarHBondContact O-CB 3.44Å; A122-A126 PolarHBondContact O-N 2.94Å
123R95.4Very high91.4Very high49 Ų4942 Ų4219%0.18524%0.237CC..Hα-helixtrans-65.7-41.5175.4-169-177.1-61.91593.6112V107 D111 L112 V114 I119 P120 F121 V125 A126 R127V107-R123 HydrophobicContact CG2-CB 4.1Å; V107-R123 HydrophobicContact CG2-CG 4.23Å; D111-R123 WeakPolarHBondContact O-CD 3.42Å; D111-R123 PolarHBondContact O-NE 2.94Å; D111-R123 VanDerWaalsContact O-NE 3.12Å; L112-R123 WeakPolarHBondContact O-CD 3.48Å; L112-R123 WeakPolarHBondContact O-CG 3.33Å; V114-R123 PolarHBondContact O-NH1 3.37Å; I119-R123 HydrophobicContact CD1-CG 4.41Å; P120-R123 WeakPolarHBondContact O-CB 3.33Å; P120-R123 PolarHBondContact O-N 3.29Å; P120-R123 VanDerWaalsContact O-N 3.14Å; F121-R123 VanDerWaalsContact C-N 3.28Å; F121-R123 PolarHBondContact O-N 2.85Å; R123-V125 VanDerWaalsContact C-N 3.33Å; R123-V125 PolarHBondContact O-N 3.29Å; R123-A126 PolarHBondContact O-N 3.49Å; R123-R127 WeakPolarHBondContact O-CB 3.3Å; R123-R127 WeakPolarHBondContact O-CG 3.48Å; R123-R127 PolarHBondContact O-N 2.89Å
124A93.9Very high91.1Very high26 Ų2640 Ų4022%0.21523%0.229CC..Hα-helixtrans-61.7-42.3176.600000112I119 P120 F121 N128I119-A124 HydrophobicContact CD1-CB 3.88Å; I119-A124 HydrophobicContact CG1-CB 4.11Å; P120-A124 PolarHBondContact O-N 3.25Å; F121-A124 WeakPolarHBondContact O-CB 3.33Å; F121-A124 PolarHBondContact O-N 3.09Å; A124-N128 VanDerWaalsContact O-CG 3.23Å; A124-N128 PolarHBondContact O-N 3Å; A124-N128 PolarHBondContact O-ND2 3.44Å
125V95.7Very high90.8Very high0 Ų038.1 Ų38.10%022%0.215CC..Hα-helixtrans-63.3-52.7176.4178.10000110.1V95 M99 F121 A122 R123 R127 N128 F129 Y173 V176V95-V125 HydrophobicContact CG1-CB 4.49Å; V95-V125 HydrophobicContact CG1-CG1 4.34Å; V95-V125 HydrophobicContact CG2-CG1 4.12Å; M99-V125 HydrophobicContact CE-CB 4.24Å; M99-V125 HydrophobicContact CE-CG1 4.38Å; M99-V125 HydrophobicContact CE-CG2 4Å; F121-V125 HydrophobicContact CD1-CG2 4.11Å; F121-V125 HydrophobicContact CD2-CG2 4.17Å; F121-V125 HydrophobicContact CE1-CG2 3.77Å; F121-V125 HydrophobicContact CE2-CG2 3.82Å; F121-V125 HydrophobicContact CG-CG2 4.31Å; F121-V125 HydrophobicContact CZ-CG2 3.61Å; F121-V125 VanDerWaalsContact O-CG2 3.24Å; F121-V125 WeakPolarHBondContact O-CG2 3.25Å; F121-V125 PolarHBondContact O-N 3.06Å; A122-V125 PolarHBondContact O-N 2.98Å; R123-V125 VanDerWaalsContact C-N 3.33Å; R123-V125 PolarHBondContact O-N 3.29Å; V125-R127 PolarHBondContact O-N 3.11Å; V125-N128 PolarHBondContact O-N 3.42Å; V125-N128 VanDerWaalsContact O-N 3.13Å; V125-F129 HydrophobicContact CG1-CD2 3.86Å; V125-F129 HydrophobicContact CG1-CE2 3.94Å; V125-F129 WeakPolarHBondContact O-CD2 3.5Å; V125-F129 PolarHBondContact O-N 3.24Å; V125-F129 VanDerWaalsContact O-N 3.11Å; V125-Y173 WeakPolarHBondContact CA-OH 3.43Å; V125-Y173 HydrophobicContact CB-CE2 4.36Å; V125-Y173 HydrophobicContact CG1-CE1 4.44Å; V125-Y173 HydrophobicContact CG1-CE2 4.31Å; V125-Y173 HydrophobicContact CG2-CD2 4.36Å; V125-Y173 HydrophobicContact CG2-CE2 3.56Å; V125-V176 HydrophobicContact CG1-CG2 4.33Å
126A97.4Very high90.5Very high0 Ų037.5 Ų37.50%020%0.203CC..Hα-helixtrans-58.1-44.3179.500000112.5V95 V107 L112 A122 R123 N128 F129 V130V95-A126 HydrophobicContact CB-CB 4.44Å; V95-A126 HydrophobicContact CG1-CB 4.36Å; V95-A126 HydrophobicContact CG2-CB 4.09Å; V107-A126 HydrophobicContact CG1-CB 3.82Å; L112-A126 HydrophobicContact CD1-CB 3.63Å; A122-A126 WeakPolarHBondContact O-CB 3.44Å; A122-A126 PolarHBondContact O-N 2.94Å; R123-A126 PolarHBondContact O-N 3.49Å; A126-N128 VanDerWaalsContact C-N 3.33Å; A126-N128 PolarHBondContact O-N 2.9Å; A126-F129 PolarHBondContact O-N 3.39Å; A126-V130 WeakPolarHBondContact O-CB 3.38Å; A126-V130 WeakPolarHBondContact O-CG2 3.46Å; A126-V130 PolarHBondContact O-N 3.47Å
127R95.2Very high90.4Very high19 Ų1934.8 Ų34.87%0.07218%0.184CC..Hα-helixtrans-58-45.1175.6-77.4-174-172-177.47.7112.3L112 Y113 V114 G115 R123 V125 F129 L131L112-R127 HydrophobicContact CD1-CG 3.84Å; L112-R127 HydrophobicContact CG-CG 4.12Å; L112-R127 PolarHBondContact O-NE 3.13Å; L112-R127 PolarHBondContact O-NH2 3.29Å; Y113-R127 VanDerWaalsContact CA-NH2 3.31Å; Y113-R127 PolarHBondContact O-NH2 3.16Å; V114-R127 PolarHBondContact O-NH2 3.11Å; G115-R127 VanDerWaalsContact O-CZ 3.24Å; G115-R127 PolarHBondContact O-NH1 3.04Å; G115-R127 PolarHBondContact O-NH2 3.28Å; R123-R127 WeakPolarHBondContact O-CB 3.3Å; R123-R127 WeakPolarHBondContact O-CG 3.48Å; R123-R127 PolarHBondContact O-N 2.89Å; V125-R127 PolarHBondContact O-N 3.11Å; R127-F129 VanDerWaalsContact C-N 3.31Å; R127-F129 PolarHBondContact O-N 2.93Å; R127-L131 WeakPolarHBondContact O-CB 3.33Å; R127-L131 VanDerWaalsContact O-CD1 3.31Å; R127-L131 WeakPolarHBondContact O-CD1 3.36Å; R127-L131 PolarHBondContact O-N 3.32Å
128N95.9Very high90Very high10 Ų1032 Ų325%0.05316%0.16CC..Hα-helixtrans-61.5-43.2-178.9-70.3-16.3000111A124 V125 A126 D132 C159 C163 Y173A124-N128 VanDerWaalsContact O-CG 3.23Å; A124-N128 PolarHBondContact O-N 3Å; A124-N128 PolarHBondContact O-ND2 3.44Å; V125-N128 PolarHBondContact O-N 3.42Å; V125-N128 VanDerWaalsContact O-N 3.13Å; A126-N128 VanDerWaalsContact C-N 3.33Å; A126-N128 PolarHBondContact O-N 2.9Å; N128-D132 VanDerWaalsContact O-CB 3.25Å; N128-D132 WeakPolarHBondContact O-CB 3.28Å; N128-D132 PolarHBondContact O-N 3.09Å; N128-D132 VanDerWaalsContact O-N 3.09Å; N128-C159 VanDerWaalsContact OD1-CA 3.3Å; N128-C159 WeakPolarHBondContact OD1-CA 3.46Å; N128-C159 VanDerWaalsContact OD1-CB 3.29Å; N128-C159 WeakPolarHBondContact OD1-CB 3.3Å; N128-C159 PolarHBondContact OD1-O 3.19Å; N128-C159 PolarHBondContact OD1-SG 3.17Å; N128-C163 HydrophobicContact CB-CB 4.04Å; N128-Y173 HydrophobicContact CB-CE1 4.09Å; N128-Y173 PolarHBondContact ND2-OH 3.41Å
129F97.2Very high89.2Confident1 Ų125 Ų250%0.00413%0.129CC..Hα-helixtrans-72.8-42.7178.2-82.8-74.4000114V91 V125 A126 R127 L131 D132 V133 C163 V167 Y173 V176 N177 I180V91-F129 HydrophobicContact CG1-CB 3.56Å; V125-F129 HydrophobicContact CG1-CD2 3.86Å; V125-F129 HydrophobicContact CG1-CE2 3.94Å; V125-F129 WeakPolarHBondContact O-CD2 3.5Å; V125-F129 PolarHBondContact O-N 3.24Å; V125-F129 VanDerWaalsContact O-N 3.11Å; A126-F129 PolarHBondContact O-N 3.39Å; R127-F129 VanDerWaalsContact C-N 3.31Å; R127-F129 PolarHBondContact O-N 2.93Å; F129-L131 VanDerWaalsContact C-N 3.34Å; F129-L131 PolarHBondContact O-N 3.45Å; F129-D132 PolarHBondContact O-N 2.86Å; F129-V133 WeakPolarHBondContact O-CB 3.45Å; F129-V133 VanDerWaalsContact O-CG2 3.3Å; F129-V133 WeakPolarHBondContact O-CG2 3.49Å; F129-V133 PolarHBondContact O-N 3.37Å; F129-C163 WeakPolarHBondContact CD1-SG 3.31Å; F129-C163 VanDerWaalsContact CE1-SG 3.51Å; F129-V167 HydrophobicContact CE1-CG2 4.03Å; F129-V167 HydrophobicContact CZ-CG2 3.69Å; F129-Y173 HydrophobicContact CD2-CD1 4.34Å; F129-Y173 HydrophobicContact CD2-CE1 4.45Å; F129-Y173 AromaticContact CE2-CD1 3.45Å; F129-Y173 HydrophobicContact CE2-CD1 3.45Å; F129-Y173 VanDerWaalsContact CE2-CD1 3.45Å; F129-Y173 AromaticContact CE2-CE1 3.96Å; F129-Y173 HydrophobicContact CE2-CE1 3.96Å; F129-Y173 HydrophobicContact CE2-CG 4.07Å; F129-Y173 AromaticContact CZ-CD1 3.9Å; F129-Y173 HydrophobicContact CZ-CD1 3.9Å; F129-Y173 HydrophobicContact CZ-CG 4.48Å; F129-Y173 WeakPolarHBondContact CZ-O 3.34Å; F129-V176 HydrophobicContact CD1-CG1 4.27Å; F129-V176 HydrophobicContact CD2-CB 4.32Å; F129-V176 HydrophobicContact CD2-CG1 3.49Å; F129-V176 VanDerWaalsContact CD2-CG1 3.49Å; F129-V176 HydrophobicContact CE1-CG1 4.21Å; F129-V176 HydrophobicContact CE2-CB 3.77Å; F129-V176 HydrophobicContact CE2-CG1 3.42Å; F129-V176 VanDerWaalsContact CE2-CG1 3.42Å; F129-V176 HydrophobicContact CG-CG1 3.93Å; F129-V176 HydrophobicContact CZ-CB 4.02Å; F129-V176 HydrophobicContact CZ-CG1 3.81Å; F129-N177 HydrophobicContact CE1-CB 3.77Å; F129-N177 HydrophobicContact CZ-CB 3.93Å; F129-I180 HydrophobicContact CB-CD1 3.69Å; F129-I180 HydrophobicContact CD1-CD1 3.43Å; F129-I180 VanDerWaalsContact CD1-CD1 3.43Å; F129-I180 HydrophobicContact CD2-CD1 4.42Å; F129-I180 HydrophobicContact CE1-CD1 4.15Å; F129-I180 HydrophobicContact CG-CD1 3.59Å
130V95.8Very high88.5Confident0 Ų023.1 Ų23.10%012%0.119CC..Hα-helixtrans-57.7-51177168.20000109.8E88 V91 L112 Y113 A126 D132 V133 L134E88-V130 HydrophobicContact CG-CG1 3.68Å; E88-V130 HydrophobicContact CG-CG2 4.37Å; V91-V130 HydrophobicContact CB-CG2 3.58Å; V91-V130 HydrophobicContact CG1-CG2 3.6Å; V91-V130 HydrophobicContact CG2-CG2 4.03Å; L112-V130 HydrophobicContact CD2-CB 4.22Å; L112-V130 HydrophobicContact CD2-CG1 4.2Å; L112-V130 HydrophobicContact CD2-CG2 3.8Å; Y113-V130 WeakPolarHBondContact OH-CG1 3.29Å; A126-V130 WeakPolarHBondContact O-CB 3.38Å; A126-V130 WeakPolarHBondContact O-CG2 3.46Å; A126-V130 PolarHBondContact O-N 3.47Å; V130-D132 VanDerWaalsContact C-N 3.28Å; V130-D132 PolarHBondContact O-N 3.22Å; V130-V133 PolarHBondContact O-N 3.08Å; V130-L134 HydrophobicContact CG1-CD1 3.74Å; V130-L134 HydrophobicContact CG1-CG 4.21Å; V130-L134 WeakPolarHBondContact O-CB 3.38Å; V130-L134 VanDerWaalsContact O-CG 3.24Å; V130-L134 WeakPolarHBondContact O-CG 3.41Å; V130-L134 PolarHBondContact O-N 3.27Å
131L92.7Very high87.7Confident2 Ų222.3 Ų22.31%0.0112%0.115CC..Hα-helixtrans-63.4-37.5-178.9-84.951.6000111.6Y113 R127 F129 H135 I145 I151 A156 C159 V160Y113-L131 HydrophobicContact CE1-CD1 4Å; R127-L131 WeakPolarHBondContact O-CB 3.33Å; R127-L131 VanDerWaalsContact O-CD1 3.31Å; R127-L131 WeakPolarHBondContact O-CD1 3.36Å; R127-L131 PolarHBondContact O-N 3.32Å; F129-L131 VanDerWaalsContact C-N 3.34Å; F129-L131 PolarHBondContact O-N 3.45Å; L131-H135 VanDerWaalsContact O-CB 3.31Å; L131-H135 WeakPolarHBondContact O-CB 3.47Å; L131-H135 PolarHBondContact O-N 2.62Å; L131-I145 HydrophobicContact CB-CG2 4.39Å; L131-I145 HydrophobicContact CD1-CG2 4.15Å; L131-I145 HydrophobicContact CD2-CG2 4.31Å; L131-I145 HydrophobicContact CG-CG2 3.59Å; L131-I151 HydrophobicContact CD2-CD1 4.08Å; L131-A156 HydrophobicContact CD2-CB 4.17Å; L131-C159 HydrophobicContact CB-CB 4.49Å; L131-C159 HydrophobicContact CD2-CB 3.5Å; L131-V160 HydrophobicContact CB-CG2 3.93Å
132D89.7Confident87.2Confident15 Ų1520.9 Ų20.98%0.0811%0.108CC..Hα-helixtrans-63.7-49.6175178.159.8000112.1N128 F129 V130 H135 N136 C163 H164N128-D132 VanDerWaalsContact O-CB 3.25Å; N128-D132 WeakPolarHBondContact O-CB 3.28Å; N128-D132 PolarHBondContact O-N 3.09Å; N128-D132 VanDerWaalsContact O-N 3.09Å; F129-D132 PolarHBondContact O-N 2.86Å; V130-D132 VanDerWaalsContact C-N 3.28Å; V130-D132 PolarHBondContact O-N 3.22Å; D132-H135 PolarHBondContact O-N 3.39Å; D132-N136 WeakPolarHBondContact O-CB 3.45Å; D132-N136 PolarHBondContact O-N 2.89Å; D132-N136 PolarHBondContact OD1-ND2 3.41Å; D132-C163 HydrophobicContact CB-CB 4Å; D132-H164 IonicContact OD1-CD2 3.58Å; D132-H164 IonicContact OD1-CE1 3.79Å; D132-H164 IonicContact OD1-NE2 2.67Å; D132-H164 PolarHBondContact OD1-NE2 2.82Å
133V86.9Confident86.5Confident2 Ų222.7 Ų22.71%0.01212%0.122CC..Iπ-helixtrans-62.8-47.2179173.20000110.4V87 V91 F129 V130 H135 R137 Y138 I180 L184V87-V133 HydrophobicContact CG1-CB 3.95Å; V87-V133 HydrophobicContact CG1-CG1 3.59Å; V87-V133 HydrophobicContact CG2-CG1 4.26Å; V91-V133 HydrophobicContact CG2-CG2 4.3Å; F129-V133 WeakPolarHBondContact O-CB 3.45Å; F129-V133 VanDerWaalsContact O-CG2 3.3Å; F129-V133 WeakPolarHBondContact O-CG2 3.49Å; F129-V133 PolarHBondContact O-N 3.37Å; V130-V133 PolarHBondContact O-N 3.08Å; V133-H135 VanDerWaalsContact C-N 3.3Å; V133-H135 PolarHBondContact O-N 2.92Å; V133-R137 HydrophobicContact CB-CG 4.43Å; V133-R137 HydrophobicContact CG1-CB 3.99Å; V133-R137 HydrophobicContact CG1-CG 4.14Å; V133-R137 VanDerWaalsContact O-CA 3.29Å; V133-R137 WeakPolarHBondContact O-CA 3.25Å; V133-R137 WeakPolarHBondContact O-CB 3.31Å; V133-R137 PolarHBondContact O-N 2.81Å; V133-Y138 HydrophobicContact CG1-CD2 3.91Å; V133-Y138 HydrophobicContact CG1-CE2 3.77Å; V133-Y138 PolarHBondContact O-N 3.11Å; V133-Y138 VanDerWaalsContact O-N 3.14Å; V133-I180 HydrophobicContact CG2-CG2 3.91Å; V133-L184 HydrophobicContact CG1-CD1 4.36Å; V133-L184 HydrophobicContact CG2-CD1 4.43Å
134L85.3Confident85.6Confident0 Ų020.9 Ų20.90%012%0.117CC..Iπ-helixtrans-56.9-46.1177.1-69.3176.8000111.3M84 V87 V130 Y138 G139 F140 I145M84-L134 HydrophobicContact CB-CD2 4.35Å; M84-L134 HydrophobicContact CG-CD1 4.19Å; M84-L134 HydrophobicContact CG-CD2 3.8Å; V87-L134 HydrophobicContact CB-CD2 3.89Å; V87-L134 HydrophobicContact CG1-CD2 3.85Å; V87-L134 HydrophobicContact CG1-CG 4.03Å; V87-L134 HydrophobicContact CG2-CD2 4.06Å; V130-L134 HydrophobicContact CG1-CD1 3.74Å; V130-L134 HydrophobicContact CG1-CG 4.21Å; V130-L134 WeakPolarHBondContact O-CB 3.38Å; V130-L134 VanDerWaalsContact O-CG 3.24Å; V130-L134 WeakPolarHBondContact O-CG 3.41Å; V130-L134 PolarHBondContact O-N 3.27Å; L134-Y138 CarbonylContact O-C 3.58Å; L134-Y138 WeakPolarHBondContact O-CB 3.18Å; L134-Y138 PolarHBondContact O-N 3.38Å; L134-G139 PolarHBondContact O-N 3.13Å; L134-F140 HydrophobicContact CB-CB 4.34Å; L134-F140 HydrophobicContact CB-CD2 3.84Å; L134-F140 HydrophobicContact CB-CG 4.48Å; L134-F140 HydrophobicContact CD2-CD2 3.62Å; L134-F140 HydrophobicContact CD2-CE2 3.63Å; L134-F140 HydrophobicContact CG-CD2 4.32Å; L134-F140 WeakPolarHBondContact O-CD2 3.24Å; L134-F140 PolarHBondContact O-N 3.16Å; L134-I145 HydrophobicContact CB-CD1 3.83Å; L134-I145 HydrophobicContact CB-CG1 4.09Å; L134-I145 HydrophobicContact CD1-CG1 4.39Å
135H82.8Confident85.1Confident38 Ų3819.7 Ų19.718%0.17611%0.107CC..Iπ-helixtrans-74.4-55.5-178.1-17458.8000113.1L131 D132 V133 G139 F140 Y142 I145 V160L131-H135 VanDerWaalsContact O-CB 3.31Å; L131-H135 WeakPolarHBondContact O-CB 3.47Å; L131-H135 PolarHBondContact O-N 2.62Å; D132-H135 PolarHBondContact O-N 3.39Å; V133-H135 VanDerWaalsContact C-N 3.3Å; V133-H135 PolarHBondContact O-N 2.92Å; H135-G139 WeakPolarHBondContact O-CA 3.34Å; H135-G139 PolarHBondContact O-N 3.19Å; H135-G139 VanDerWaalsContact O-N 3.11Å; H135-F140 PolarHBondContact ND1-O 2.94Å; H135-Y142 AromaticContact CD2-CZ 3.55Å; H135-Y142 PolarHBondContact CD2-OH 2.77Å; H135-Y142 AromaticContact CE1-CE2 3.53Å; H135-Y142 AromaticContact CE1-CZ 3.71Å; H135-Y142 AromaticContact CG-CZ 3.86Å; H135-Y142 AromaticContact ND1-CZ 3.97Å; H135-Y142 AromaticContact NE2-CE2 3.53Å; H135-Y142 AromaticContact NE2-CZ 3.43Å; H135-Y142 PolarHBondContact NE2-OH 3.23Å; H135-I145 HydrophobicContact CB-CD1 3.79Å; H135-V160 HydrophobicContact CB-CG2 4.47Å
136N79.9Confident84.5Confident26 Ų2620 Ų2014%0.13911%0.109CC..Iπ-helixtrans-87.4-22.8-169.5-72.4-49.9000113.8R9 D132 H164R9-N136 WeakPolarHBondContact CD-O 3Å; R9-N136 PolarHBondContact NE-O 2.85Å; D132-N136 WeakPolarHBondContact O-CB 3.45Å; D132-N136 PolarHBondContact O-N 2.89Å; D132-N136 PolarHBondContact OD1-ND2 3.41Å; N136-H164 PolarHBondContact ND2-CE1 3.29Å; N136-H164 PolarHBondContact ND2-NE2 3.39Å
137R76.8Confident83.9Confident54 Ų5426.1 Ų26.120%0.20414%0.138CC..Iπ-helixtrans-104.3-28.8179.4-57.4-69.6-170.9173.9-6.3113.9K8 D10 I14 V133 N181 L184K8-R137 PolarHBondContact O-NH1 3.44Å; D10-R137 IonicContact OD2-CZ 3.36Å; D10-R137 IonicContact OD2-NH1 2.86Å; D10-R137 PolarHBondContact OD2-NH1 3.27Å; I14-R137 WeakPolarHBondContact CD1-O 3.25Å; V133-R137 HydrophobicContact CB-CG 4.43Å; V133-R137 HydrophobicContact CG1-CB 3.99Å; V133-R137 HydrophobicContact CG1-CG 4.14Å; V133-R137 VanDerWaalsContact O-CA 3.29Å; V133-R137 WeakPolarHBondContact O-CA 3.25Å; V133-R137 WeakPolarHBondContact O-CB 3.31Å; V133-R137 PolarHBondContact O-N 2.81Å; R137-N181 PolarHBondContact NH2-OD1 3.14Å; R137-L184 HydrophobicContact CG-CD1 4.01Å
138Y74Confident83.5Confident58 Ų5829.2 Ų29.223%0.22715%0.15CC..Iπ-helixtrans-112.4-15.5178.5-71.2-91.7000114.1T83 V87 V133 L134 F140T83-Y138 HydrophobicContact CG2-CD1 3.61Å; T83-Y138 HydrophobicContact CG2-CE1 3.62Å; T83-Y138 HydrophobicContact CG2-CG 4.3Å; V87-Y138 HydrophobicContact CG2-CD2 3.87Å; V87-Y138 HydrophobicContact CG2-CE2 3.36Å; V133-Y138 HydrophobicContact CG1-CD2 3.91Å; V133-Y138 HydrophobicContact CG1-CE2 3.77Å; V133-Y138 PolarHBondContact O-N 3.11Å; V133-Y138 VanDerWaalsContact O-N 3.14Å; L134-Y138 CarbonylContact O-C 3.58Å; L134-Y138 WeakPolarHBondContact O-CB 3.18Å; L134-Y138 PolarHBondContact O-N 3.38Å; Y138-F140 HydrophobicContact CD1-CE2 4.43Å; Y138-F140 HydrophobicContact CG-CD2 4.49Å; Y138-F140 HydrophobicContact CG-CE2 4.02Å
139G68.1Low83.1Confident23 Ų2328.9 Ų28.924%0.23715%0.148CC..  trans82.114.5176.300000114.5L134 H135 S141L134-G139 PolarHBondContact O-N 3.13Å; H135-G139 WeakPolarHBondContact O-CA 3.34Å; H135-G139 PolarHBondContact O-N 3.19Å; H135-G139 VanDerWaalsContact O-N 3.11Å; G139-S141 PolarHBondContact O-N 3.13Å
140F74.9Confident82.6Confident2 Ų235.5 Ų35.51%0.00918%0.183CC..  trans-61.8135.3174.5-66.7-78.5000110.4G66 L68 T83 M84 L134 H135 Y138 V144 I145G66-F140 WeakPolarHBondContact O-CZ 3.4Å; L68-F140 HydrophobicContact CD1-CD1 3.58Å; L68-F140 HydrophobicContact CD1-CE1 3.29Å; L68-F140 HydrophobicContact CG-CD1 4.03Å; L68-F140 HydrophobicContact CG-CE1 3.56Å; L68-F140 HydrophobicContact CG-CZ 4.5Å; T83-F140 HydrophobicContact CG2-CE2 4.01Å; T83-F140 HydrophobicContact CG2-CZ 3.96Å; M84-F140 HydrophobicContact CE-CD1 3.44Å; M84-F140 VanDerWaalsContact CE-CD1 3.44Å; M84-F140 HydrophobicContact CE-CE1 3.56Å; M84-F140 HydrophobicContact CE-CG 4Å; M84-F140 HydrophobicContact CE-CZ 4.21Å; M84-F140 HydrophobicContact CG-CE1 4.48Å; M84-F140 HydrophobicContact CG-CE2 4.42Å; M84-F140 HydrophobicContact CG-CZ 4.25Å; L134-F140 HydrophobicContact CB-CB 4.34Å; L134-F140 HydrophobicContact CB-CD2 3.84Å; L134-F140 HydrophobicContact CB-CG 4.48Å; L134-F140 HydrophobicContact CD2-CD2 3.62Å; L134-F140 HydrophobicContact CD2-CE2 3.63Å; L134-F140 HydrophobicContact CG-CD2 4.32Å; L134-F140 WeakPolarHBondContact O-CD2 3.24Å; L134-F140 PolarHBondContact O-N 3.16Å; H135-F140 PolarHBondContact ND1-O 2.94Å; Y138-F140 HydrophobicContact CD1-CE2 4.43Å; Y138-F140 HydrophobicContact CG-CD2 4.49Å; Y138-F140 HydrophobicContact CG-CE2 4.02Å; F140-V144 HydrophobicContact CD1-CG1 4.11Å; F140-I145 HydrophobicContact CB-CD1 3.94Å; F140-I145 HydrophobicContact CB-CG1 3.78Å
141S76.5Confident82.3Confident53 Ų5337 Ų3737%0.37119%0.191SC..  trans-72.3155.5178.275.90000111.1G139 A143 V144 I145G139-S141 PolarHBondContact O-N 3.13Å; S141-A143 PolarHBondContact O-N 3.44Å; S141-V144 PolarHBondContact O-N 3.4Å; S141-V144 VanDerWaalsContact O-N 3.13Å; S141-V144 VanDerWaalsContact OG-CG2 3.28Å; S141-V144 WeakPolarHBondContact OG-CG2 3.4Å; S141-V144 PolarHBondContact OG-N 3.24Å; S141-I145 WeakPolarHBondContact O-CG1 3.39Å; S141-I145 PolarHBondContact O-N 3.17Å
142Y82.4Confident82.1Confident55 Ų5542.8 Ų42.822%0.21622%0.222CC..Hα-helixtrans-59.7-34.9177.3-69.8-65.1000112.7H135 V144 I145 A146 A156 M157 V160H135-Y142 AromaticContact CD2-CZ 3.55Å; H135-Y142 PolarHBondContact CD2-OH 2.77Å; H135-Y142 AromaticContact CE1-CE2 3.53Å; H135-Y142 AromaticContact CE1-CZ 3.71Å; H135-Y142 AromaticContact CG-CZ 3.86Å; H135-Y142 AromaticContact ND1-CZ 3.97Å; H135-Y142 AromaticContact NE2-CE2 3.53Å; H135-Y142 AromaticContact NE2-CZ 3.43Å; H135-Y142 PolarHBondContact NE2-OH 3.23Å; Y142-V144 VanDerWaalsContact C-N 3.33Å; Y142-V144 PolarHBondContact O-N 3.49Å; Y142-I145 PolarHBondContact O-N 3.08Å; Y142-A146 WeakPolarHBondContact O-CB 3.29Å; Y142-A146 PolarHBondContact O-N 3.44Å; Y142-A156 HydrophobicContact CD1-CB 4.2Å; Y142-M157 HydrophobicContact CD1-CB 4.45Å; Y142-M157 HydrophobicContact CD1-CG 3.66Å; Y142-M157 HydrophobicContact CD2-CE 4.48Å; Y142-M157 HydrophobicContact CD2-CG 3.69Å; Y142-M157 HydrophobicContact CD2-SD 4.42Å; Y142-M157 HydrophobicContact CE1-CB 4.23Å; Y142-M157 HydrophobicContact CE1-CG 3.74Å; Y142-M157 HydrophobicContact CE2-CG 3.8Å; Y142-M157 HydrophobicContact CG-CG 3.63Å; Y142-V160 HydrophobicContact CE1-CB 4.37Å; Y142-V160 HydrophobicContact CE1-CG2 3.88Å
143A79.5Confident81.9Confident43 Ų4346.4 Ų46.436%0.35524%0.239SC..Hα-helixtrans-59-45175.300000111.9S141 A146 Q147 E153S141-A143 PolarHBondContact O-N 3.44Å; A143-A146 PolarHBondContact O-N 3.45Å; A143-Q147 WeakPolarHBondContact O-CB 3.46Å; A143-Q147 PolarHBondContact O-N 3.13Å; A143-E153 HydrophobicContact CB-CG 4.45Å; A143-E153 WeakPolarHBondContact CB-OE1 3.3Å
144V76.9Confident82.1Confident11 Ų1154.3 Ų54.37%0.06727%0.273CS..Hα-helixtrans-69.7-44.9-178.8170.70000111.4P75 M84 F140 S141 Y142 A146 Q147 R148P75-V144 HydrophobicContact CB-CG1 4.39Å; P75-V144 HydrophobicContact CB-CG2 3.86Å; P75-V144 HydrophobicContact CG-CB 4.4Å; P75-V144 HydrophobicContact CG-CG1 4.33Å; P75-V144 HydrophobicContact CG-CG2 3.22Å; M84-V144 HydrophobicContact CE-CG1 3.4Å; F140-V144 HydrophobicContact CD1-CG1 4.11Å; S141-V144 PolarHBondContact O-N 3.4Å; S141-V144 VanDerWaalsContact O-N 3.13Å; S141-V144 VanDerWaalsContact OG-CG2 3.28Å; S141-V144 WeakPolarHBondContact OG-CG2 3.4Å; S141-V144 PolarHBondContact OG-N 3.24Å; Y142-V144 VanDerWaalsContact C-N 3.33Å; Y142-V144 PolarHBondContact O-N 3.49Å; V144-A146 VanDerWaalsContact C-N 3.33Å; V144-A146 PolarHBondContact O-N 3.3Å; V144-Q147 PolarHBondContact O-N 2.99Å; V144-R148 PolarHBondContact O-N 3.13Å
145I84.2Confident82.3Confident2 Ų256.4 Ų56.41%0.0129%0.287CS..Hα-helixtrans-62.2-42.6175.5-68.4171.5000111L131 L134 H135 F140 S141 Y142 Q147 R148 A149 A156L131-I145 HydrophobicContact CB-CG2 4.39Å; L131-I145 HydrophobicContact CD1-CG2 4.15Å; L131-I145 HydrophobicContact CD2-CG2 4.31Å; L131-I145 HydrophobicContact CG-CG2 3.59Å; L134-I145 HydrophobicContact CB-CD1 3.83Å; L134-I145 HydrophobicContact CB-CG1 4.09Å; L134-I145 HydrophobicContact CD1-CG1 4.39Å; H135-I145 HydrophobicContact CB-CD1 3.79Å; F140-I145 HydrophobicContact CB-CD1 3.94Å; F140-I145 HydrophobicContact CB-CG1 3.78Å; S141-I145 WeakPolarHBondContact O-CG1 3.39Å; S141-I145 PolarHBondContact O-N 3.17Å; Y142-I145 PolarHBondContact O-N 3.08Å; I145-Q147 VanDerWaalsContact C-N 3.35Å; I145-R148 PolarHBondContact O-N 3Å; I145-A149 WeakPolarHBondContact O-CB 3.27Å; I145-A149 PolarHBondContact O-N 3.31Å; I145-A156 HydrophobicContact CG2-CB 4.25Å
146A83.4Confident82.6Confident6 Ų654.6 Ų54.65%0.0528%0.279CS..Hα-helixtrans-61.8-42.9178.400000111.7Y142 A143 V144 A149 D150 I151 E153Y142-A146 WeakPolarHBondContact O-CB 3.29Å; Y142-A146 PolarHBondContact O-N 3.44Å; A143-A146 PolarHBondContact O-N 3.45Å; V144-A146 VanDerWaalsContact C-N 3.33Å; V144-A146 PolarHBondContact O-N 3.3Å; A146-A149 PolarHBondContact O-N 3.41Å; A146-D150 PolarHBondContact O-N 2.85Å; A146-I151 CarbonylContact C-O 3.44Å; A146-I151 VanDerWaalsContact CB-O 3.25Å; A146-I151 WeakPolarHBondContact CB-O 3.44Å; A146-I151 PolarHBondContact O-N 3.18Å; A146-E153 HydrophobicContact CB-CB 4.43Å; A146-E153 HydrophobicContact CB-CG 3.77Å
147Q84.5Confident83.1Confident128 Ų12856.7 Ų56.760%0.59829%0.288SS*.Hα-helixtrans-63.4-45.8175.1-175.3-177.8-1.900111.8A143 V144 I145 A149 D150A143-Q147 WeakPolarHBondContact O-CB 3.46Å; A143-Q147 PolarHBondContact O-N 3.13Å; V144-Q147 PolarHBondContact O-N 2.99Å; I145-Q147 VanDerWaalsContact C-N 3.35Å; Q147-A149 VanDerWaalsContact C-N 3.32Å; Q147-A149 PolarHBondContact O-N 2.87Å; Q147-D150 PolarHBondContact O-N 3.37Å
148R85.9Confident83.9Confident85 Ų8560.4 Ų60.432%0.32130%0.303SS..Hα-helixtrans-58.6-43.5176.9171.564.1-176157.8-1.8112.1M84 D85 E88 Y113 V144 I145M84-R148 HydrophobicContact SD-CB 3.83Å; M84-R148 HydrophobicContact SD-CG 3.62Å; D85-R148 IonicContact OD1-CZ 3.62Å; D85-R148 IonicContact OD1-NH1 2.72Å; D85-R148 IonicContact OD1-NH2 3.34Å; D85-R148 PolarHBondContact OD1-NH2 3.35Å; E88-R148 IonicContact OE1-CZ 2.94Å; E88-R148 IonicContact OE1-NE 3.84Å; E88-R148 PolarHBondContact OE1-NE 3.38Å; E88-R148 IonicContact OE1-NH2 3.93Å; E88-R148 PolarHBondContact OE1-NH2 3.43Å; E88-R148 IonicContact OE2-CZ 2.83Å; E88-R148 IonicContact OE2-NE 2.82Å; E88-R148 IonicContact OE2-NH2 2.7Å; E88-R148 PolarHBondContact OE2-NH2 3Å; Y113-R148 HydrophobicContact CE2-CG 4.22Å; V144-R148 PolarHBondContact O-N 3.13Å; I145-R148 PolarHBondContact O-N 3Å
149A88.4Confident84.8Confident2 Ų258.9 Ų58.92%0.01730%0.3CS..THydrogen-bonded Turntrans-88.5-0.9-174.900000114.3Y113 I145 A146 Q147 I151Y113-A149 HydrophobicContact CD1-CB 3.44Å; Y113-A149 VanDerWaalsContact CD1-CB 3.44Å; Y113-A149 HydrophobicContact CD2-CB 4.34Å; Y113-A149 HydrophobicContact CE1-CB 3.38Å; Y113-A149 HydrophobicContact CE2-CB 4.28Å; Y113-A149 HydrophobicContact CG-CB 3.95Å; I145-A149 WeakPolarHBondContact O-CB 3.27Å; I145-A149 PolarHBondContact O-N 3.31Å; A146-A149 PolarHBondContact O-N 3.41Å; Q147-A149 VanDerWaalsContact C-N 3.32Å; Q147-A149 PolarHBondContact O-N 2.87Å; A149-I151 VanDerWaalsContact C-N 3.31Å; A149-I151 HydrophobicContact CB-CD1 3.98Å; A149-I151 HydrophobicContact CB-CG1 3.88Å; A149-I151 WeakPolarHBondContact O-CG2 3.15Å; A149-I151 PolarHBondContact O-N 2.92Å
150D86.7Confident85.8Confident140 Ų14058 Ų5875%0.74929%0.29SS*.THydrogen-bonded Turntrans4948.3-172.3-165.835.9000113.2A146 Q147A146-D150 PolarHBondContact O-N 2.85Å; Q147-D150 PolarHBondContact O-N 3.37Å
151I88.7Confident86.7Confident32 Ų3265.2 Ų65.216%0.16432%0.317CS..SBendtrans-131.3167.1178.163.1178.7000111.5L131 A146 A149 A156L131-I151 HydrophobicContact CD2-CD1 4.08Å; A146-I151 CarbonylContact C-O 3.44Å; A146-I151 VanDerWaalsContact CB-O 3.25Å; A146-I151 WeakPolarHBondContact CB-O 3.44Å; A146-I151 PolarHBondContact O-N 3.18Å; A149-I151 VanDerWaalsContact C-N 3.31Å; A149-I151 HydrophobicContact CB-CD1 3.98Å; A149-I151 HydrophobicContact CB-CG1 3.88Å; A149-I151 WeakPolarHBondContact O-CG2 3.15Å; A149-I151 PolarHBondContact O-N 2.92Å; I151-A156 HydrophobicContact CD1-CB 3.95Å; I151-A156 HydrophobicContact CG1-CB 4.48Å
152N88.7Confident87.5Confident124 Ų12467.2 Ų67.266%0.66332%0.319SS*.  trans-73144.6171.8-63.4-25.6000111.4K154 S155 A156N152-K154 PolarHBondContact O-N 3.38Å; N152-K154 VanDerWaalsContact O-N 3.16Å; N152-S155 WeakPolarHBondContact O-CA 3.27Å; N152-S155 VanDerWaalsContact O-CB 3.27Å; N152-S155 WeakPolarHBondContact O-CB 3.26Å; N152-S155 PolarHBondContact O-N 2.85Å; N152-A156 PolarHBondContact O-N 3.39Å; N152-A156 VanDerWaalsContact O-N 3.08Å
153E86.1Confident88Confident91 Ų9164.7 Ų64.743%0.42531%0.309SS..Hα-helixtrans-53-40.1176.3-69.3-171.5-142.100113.2A143 A146 S155 A156 M157A143-E153 HydrophobicContact CB-CG 4.45Å; A143-E153 WeakPolarHBondContact CB-OE1 3.3Å; A146-E153 HydrophobicContact CB-CB 4.43Å; A146-E153 HydrophobicContact CB-CG 3.77Å; E153-S155 PolarHBondContact O-N 3.43Å; E153-A156 WeakPolarHBondContact O-CB 3.39Å; E153-A156 PolarHBondContact O-N 3.12Å; E153-A156 VanDerWaalsContact O-N 3.11Å; E153-M157 HydrophobicContact CB-CE 3.81Å; E153-M157 WeakPolarHBondContact O-CG 3.11Å; E153-M157 PolarHBondContact O-N 3.39Å
154K90.2Very high88.6Confident168 Ų16867.8 Ų67.873%0.7332%0.316SS*.Hα-helixtrans-60.7-32.9176.5-69.7-177179.4176.70112.5N152 R158N152-K154 PolarHBondContact O-N 3.38Å; N152-K154 VanDerWaalsContact O-N 3.16Å; K154-R158 WeakPolarHBondContact O-CB 3.48Å; K154-R158 PolarHBondContact O-N 3.06Å
155S89.8Confident89.3Confident43 Ų4372.2 Ų72.230%0.30134%0.336SS..Hα-helixtrans-73.2-41.6174.9-62.60000110.6N152 E153 M157 R158 C159N152-S155 WeakPolarHBondContact O-CA 3.27Å; N152-S155 VanDerWaalsContact O-CB 3.27Å; N152-S155 WeakPolarHBondContact O-CB 3.26Å; N152-S155 PolarHBondContact O-N 2.85Å; E153-S155 PolarHBondContact O-N 3.43Å; S155-M157 PolarHBondContact O-N 3.28Å; S155-R158 WeakPolarHBondContact O-CB 3.46Å; S155-R158 PolarHBondContact O-N 3.12Å; S155-R158 VanDerWaalsContact O-N 3.13Å; S155-C159 PolarHBondContact O-N 3.26Å
156A88.4Confident89.9Confident0 Ų074.5 Ų74.50%035%0.348CS..Hα-helixtrans-58.6-49174.800000111.6L131 Y142 I145 I151 N152 E153 R158 C159 V160L131-A156 HydrophobicContact CD2-CB 4.17Å; Y142-A156 HydrophobicContact CD1-CB 4.2Å; I145-A156 HydrophobicContact CG2-CB 4.25Å; I151-A156 HydrophobicContact CD1-CB 3.95Å; I151-A156 HydrophobicContact CG1-CB 4.48Å; N152-A156 PolarHBondContact O-N 3.39Å; N152-A156 VanDerWaalsContact O-N 3.08Å; E153-A156 WeakPolarHBondContact O-CB 3.39Å; E153-A156 PolarHBondContact O-N 3.12Å; E153-A156 VanDerWaalsContact O-N 3.11Å; A156-R158 VanDerWaalsContact C-N 3.26Å; A156-R158 PolarHBondContact O-N 3.27Å; A156-C159 WeakPolarHBondContact O-CB 3.49Å; A156-C159 PolarHBondContact O-N 3.4Å; A156-C159 VanDerWaalsContact O-N 3.13Å; A156-V160 PolarHBondContact O-N 3.36Å; A156-V160 VanDerWaalsContact O-N 3.11Å
157M90.6Very high90.4Very high70 Ų7075.9 Ų75.935%0.34536%0.356SS..Hα-helixtrans-57.2-39174.5-67.3177-131.300112.5Y142 E153 S155 V160 R161Y142-M157 HydrophobicContact CD1-CB 4.45Å; Y142-M157 HydrophobicContact CD1-CG 3.66Å; Y142-M157 HydrophobicContact CD2-CE 4.48Å; Y142-M157 HydrophobicContact CD2-CG 3.69Å; Y142-M157 HydrophobicContact CD2-SD 4.42Å; Y142-M157 HydrophobicContact CE1-CB 4.23Å; Y142-M157 HydrophobicContact CE1-CG 3.74Å; Y142-M157 HydrophobicContact CE2-CG 3.8Å; Y142-M157 HydrophobicContact CG-CG 3.63Å; E153-M157 HydrophobicContact CB-CE 3.81Å; E153-M157 WeakPolarHBondContact O-CG 3.11Å; E153-M157 PolarHBondContact O-N 3.39Å; S155-M157 PolarHBondContact O-N 3.28Å; M157-V160 PolarHBondContact O-N 2.96Å; M157-R161 PolarHBondContact O-N 3.2Å
158R93.2Very high90.6Very high133 Ų13372.8 Ų72.850%0.50236%0.359SS..Hα-helixtrans-66.2-40178.2-173.4-174.3-61168.4-1.2111.6K154 S155 A156 R161 K162K154-R158 WeakPolarHBondContact O-CB 3.48Å; K154-R158 PolarHBondContact O-N 3.06Å; S155-R158 WeakPolarHBondContact O-CB 3.46Å; S155-R158 PolarHBondContact O-N 3.12Å; S155-R158 VanDerWaalsContact O-N 3.13Å; A156-R158 VanDerWaalsContact C-N 3.26Å; A156-R158 PolarHBondContact O-N 3.27Å; R158-R161 PolarHBondContact O-N 3.04Å; R158-K162 WeakPolarHBondContact O-CB 3.49Å; R158-K162 WeakPolarHBondContact O-CG 3.44Å; R158-K162 PolarHBondContact O-N 3.37Å
159C93Very high90.8Very high26 Ų2678.1 Ų78.118%0.17638%0.38CS..Hα-helixtrans-62.1-46.7175.8-78.70000111.8N128 L131 S155 A156 R161 K162 C163N128-C159 VanDerWaalsContact OD1-CA 3.3Å; N128-C159 WeakPolarHBondContact OD1-CA 3.46Å; N128-C159 VanDerWaalsContact OD1-CB 3.29Å; N128-C159 WeakPolarHBondContact OD1-CB 3.3Å; N128-C159 PolarHBondContact OD1-O 3.19Å; N128-C159 PolarHBondContact OD1-SG 3.17Å; L131-C159 HydrophobicContact CB-CB 4.49Å; L131-C159 HydrophobicContact CD2-CB 3.5Å; S155-C159 PolarHBondContact O-N 3.26Å; A156-C159 WeakPolarHBondContact O-CB 3.49Å; A156-C159 PolarHBondContact O-N 3.4Å; A156-C159 VanDerWaalsContact O-N 3.13Å; C159-R161 PolarHBondContact O-N 3.25Å; C159-K162 PolarHBondContact O-N 3.1Å; C159-C163 PolarHBondContact O-N 2.83Å
160V90.7Very high91.1Very high4 Ų480.5 Ų80.52%0.02439%0.393CS..Hα-helixtrans-59.6-46.5175.61770000111.1L131 H135 Y142 A156 M157 K162 C163 H164L131-V160 HydrophobicContact CB-CG2 3.93Å; H135-V160 HydrophobicContact CB-CG2 4.47Å; Y142-V160 HydrophobicContact CE1-CB 4.37Å; Y142-V160 HydrophobicContact CE1-CG2 3.88Å; A156-V160 PolarHBondContact O-N 3.36Å; A156-V160 VanDerWaalsContact O-N 3.11Å; M157-V160 PolarHBondContact O-N 2.96Å; V160-K162 VanDerWaalsContact C-N 3.35Å; V160-K162 PolarHBondContact O-N 3.37Å; V160-C163 VanDerWaalsContact O-CB 3.24Å; V160-C163 WeakPolarHBondContact O-CB 3.36Å; V160-C163 PolarHBondContact O-N 3.4Å; V160-C163 VanDerWaalsContact O-N 3.16Å; V160-H164 PolarHBondContact O-N 3.36Å
161R92.6Very high91.4Very high153 Ų15382.7 Ų82.758%0.57740%0.396SS*.Hα-helixtrans-60.2-43.6176.7-173.9176.967.3-133.15.6112.5M157 R158 C159 C163 H164 E165M157-R161 PolarHBondContact O-N 3.2Å; R158-R161 PolarHBondContact O-N 3.04Å; C159-R161 PolarHBondContact O-N 3.25Å; R161-C163 VanDerWaalsContact C-N 3.28Å; R161-C163 PolarHBondContact O-N 3.47Å; R161-H164 PolarHBondContact O-N 2.97Å; R161-E165 WeakPolarHBondContact O-CB 3.32Å; R161-E165 PolarHBondContact O-N 3.22Å
162K93.7Very high91.7Very high96 Ų9681.6 Ų81.642%0.41739%0.39SS..Hα-helixtrans-61.3-37.8176.5-81.2-175173-1680112R158 C159 V160 E165 L166R158-K162 WeakPolarHBondContact O-CB 3.49Å; R158-K162 WeakPolarHBondContact O-CG 3.44Å; R158-K162 PolarHBondContact O-N 3.37Å; C159-K162 PolarHBondContact O-N 3.1Å; V160-K162 VanDerWaalsContact C-N 3.35Å; V160-K162 PolarHBondContact O-N 3.37Å; K162-E165 PolarHBondContact O-N 2.67Å; K162-L166 HydrophobicContact CB-CD1 4.42Å; K162-L166 VanDerWaalsContact O-CB 3.26Å; K162-L166 WeakPolarHBondContact O-CB 3.42Å; K162-L166 VanDerWaalsContact O-CG 3.27Å; K162-L166 WeakPolarHBondContact O-CG 3.36Å; K162-L166 PolarHBondContact O-N 2.86Å
163C93.1Very high92Very high1 Ų176 Ų761%0.00736%0.36CS..Hα-helixtrans-54.8-56.2174.5-166.50000110.2N128 F129 D132 C159 V160 R161 E165 L166 V167N128-C163 HydrophobicContact CB-CB 4.04Å; F129-C163 WeakPolarHBondContact CD1-SG 3.31Å; F129-C163 VanDerWaalsContact CE1-SG 3.51Å; D132-C163 HydrophobicContact CB-CB 4Å; C159-C163 PolarHBondContact O-N 2.83Å; V160-C163 VanDerWaalsContact O-CB 3.24Å; V160-C163 WeakPolarHBondContact O-CB 3.36Å; V160-C163 PolarHBondContact O-N 3.4Å; V160-C163 VanDerWaalsContact O-N 3.16Å; R161-C163 VanDerWaalsContact C-N 3.28Å; R161-C163 PolarHBondContact O-N 3.47Å; C163-E165 PolarHBondContact O-N 2.77Å; C163-L166 PolarHBondContact O-N 2.83Å; C163-V167 WeakPolarHBondContact O-CB 3.49Å; C163-V167 WeakPolarHBondContact O-CG2 3.46Å; C163-V167 PolarHBondContact O-N 3.25Å
164H91.4Very high92.5Very high108 Ų10873.5 Ų73.550%0.536%0.355SS..Hα-helixtrans-60.6-42.2-179.9-63.5167000113.6D132 N136 V160 R161D132-H164 IonicContact OD1-CD2 3.58Å; D132-H164 IonicContact OD1-CE1 3.79Å; D132-H164 IonicContact OD1-NE2 2.67Å; D132-H164 PolarHBondContact OD1-NE2 2.82Å; N136-H164 PolarHBondContact ND2-CE1 3.29Å; N136-H164 PolarHBondContact ND2-NE2 3.39Å; V160-H164 PolarHBondContact O-N 3.36Å; R161-H164 PolarHBondContact O-N 2.97Å
165E92.9Very high92.8Very high104 Ų10470.1 Ų70.149%0.48634%0.338SS..Hα-helixtrans-63.8-54.2178.7-174.6178.1175.100110.6R161 K162 C163 V167 G168 Y169R161-E165 WeakPolarHBondContact O-CB 3.32Å; R161-E165 PolarHBondContact O-N 3.22Å; K162-E165 PolarHBondContact O-N 2.67Å; C163-E165 PolarHBondContact O-N 2.77Å; E165-V167 VanDerWaalsContact C-N 3.34Å; E165-V167 PolarHBondContact O-N 3.02Å; E165-G168 PolarHBondContact O-N 3.46Å; E165-G168 VanDerWaalsContact O-N 3.13Å; E165-Y169 HydrophobicContact CG-CD2 4.23Å; E165-Y169 HydrophobicContact CG-CE2 4.26Å; E165-Y169 WeakPolarHBondContact O-CD2 3.47Å
166L95.3Very high93.2Very high51 Ų5168 Ų6827%0.26732%0.324SS..Hα-helixtrans-71.2-26.5-173.1-65.6173.6000113.1K162 C163 G168 Y169 D170 Y173K162-L166 HydrophobicContact CB-CD1 4.42Å; K162-L166 VanDerWaalsContact O-CB 3.26Å; K162-L166 WeakPolarHBondContact O-CB 3.42Å; K162-L166 VanDerWaalsContact O-CG 3.27Å; K162-L166 WeakPolarHBondContact O-CG 3.36Å; K162-L166 PolarHBondContact O-N 2.86Å; C163-L166 PolarHBondContact O-N 2.83Å; L166-G168 PolarHBondContact O-N 2.9Å; L166-Y169 PolarHBondContact O-N 3.37Å; L166-Y169 VanDerWaalsContact O-N 3.09Å; L166-D170 HydrophobicContact CB-CB 4.38Å; L166-D170 WeakPolarHBondContact O-CB 3.39Å; L166-D170 PolarHBondContact O-N 2.92Å; L166-Y173 HydrophobicContact CB-CD1 3.59Å; L166-Y173 HydrophobicContact CB-CD2 3.84Å; L166-Y173 HydrophobicContact CB-CE1 3.88Å; L166-Y173 HydrophobicContact CB-CE2 4.1Å; L166-Y173 HydrophobicContact CB-CG 3.57Å; L166-Y173 HydrophobicContact CD1-CD1 4.41Å; L166-Y173 HydrophobicContact CD1-CD2 4.27Å; L166-Y173 HydrophobicContact CD1-CE1 3.84Å; L166-Y173 HydrophobicContact CD1-CE2 3.67Å; L166-Y173 VanDerWaalsContact CD1-CZ 3.44Å; L166-Y173 HydrophobicContact CG-CE2 4.5Å; L166-Y173 WeakPolarHBondContact O-CB 3.33Å
167V93.9Very high93.5Very high34 Ų3470.1 Ų70.121%0.20634%0.335CS..Hα-helixtrans-57.2-30171.7166.30000112.2F129 C163 E165 Y173 N177F129-V167 HydrophobicContact CE1-CG2 4.03Å; F129-V167 HydrophobicContact CZ-CG2 3.69Å; C163-V167 WeakPolarHBondContact O-CB 3.49Å; C163-V167 WeakPolarHBondContact O-CG2 3.46Å; C163-V167 PolarHBondContact O-N 3.25Å; E165-V167 VanDerWaalsContact C-N 3.34Å; E165-V167 PolarHBondContact O-N 3.02Å; V167-Y173 HydrophobicContact CG2-CD1 4.46Å; V167-N177 HydrophobicContact CG1-CB 4.05Å; V167-N177 HydrophobicContact CG2-CB 3.85Å
168G88.5Confident93.7Very high64 Ų6470 Ų7066%0.6634%0.338SS*.Hα-helixtrans-84.2-17.4177.300000115.3E165 L166E165-G168 PolarHBondContact O-N 3.46Å; E165-G168 VanDerWaalsContact O-N 3.13Å; L166-G168 PolarHBondContact O-N 2.9Å
169Y91.9Very high93.8Very high197 Ų19765 Ų6577%0.77332%0.321SS*.Hα-helixtrans-121.5-31.6-170.1-66.8-70.3000114.3E165 L166E165-Y169 HydrophobicContact CG-CD2 4.23Å; E165-Y169 HydrophobicContact CG-CE2 4.26Å; E165-Y169 WeakPolarHBondContact O-CD2 3.47Å; L166-Y169 PolarHBondContact O-N 3.37Å; L166-Y169 VanDerWaalsContact O-N 3.09Å
170D93.2Very high93.8Very high51 Ų5163.9 Ų63.927%0.27331%0.313SS..  trans-106.2126-174.5-171.6-68.7000110.5L166 T172 Y173 A174L166-D170 HydrophobicContact CB-CB 4.38Å; L166-D170 WeakPolarHBondContact O-CB 3.39Å; L166-D170 PolarHBondContact O-N 2.92Å; D170-T172 VanDerWaalsContact C-N 3.28Å; D170-T172 PolarHBondContact O-N 3.45Å; D170-T172 WeakPolarHBondContact OD1-CA 3.48Å; D170-T172 WeakPolarHBondContact OD1-CB 3.45Å; D170-T172 PolarHBondContact OD1-N 2.92Å; D170-T172 PolarHBondContact OD1-OG1 3.39Å; D170-Y173 HydrophobicContact CB-CD2 3.93Å; D170-Y173 HydrophobicContact CB-CG 4.43Å; D170-Y173 PolarHBondContact O-N 2.92Å; D170-Y173 PolarHBondContact OD1-N 3.33Å; D170-A174 PolarHBondContact O-N 3.28Å
171K93.7Very high93.7Very high187 Ų18764.9 Ų64.981%0.81332%0.319SS*.Hα-helixtrans-62.3-35.7-177-65.7-178.8-179.8178.70112.4A174 Y175K171-A174 PolarHBondContact O-N 2.97Å; K171-Y175 WeakPolarHBondContact O-CB 3.33Å; K171-Y175 PolarHBondContact O-N 3.46Å
172T93.9Very high93.5Very high8 Ų861.7 Ų61.75%0.04931%0.313CS..Hα-helixtrans-64.5-48.3177.6-29.10000109.8M99 E102 F121 D170 A174 Y175 V176M99-T172 HydrophobicContact CE-CG2 3.82Å; E102-T172 PolarHBondContact OE1-OG1 3.48Å; F121-T172 HydrophobicContact CE1-CG2 4.15Å; D170-T172 VanDerWaalsContact C-N 3.28Å; D170-T172 PolarHBondContact O-N 3.45Å; D170-T172 WeakPolarHBondContact OD1-CA 3.48Å; D170-T172 WeakPolarHBondContact OD1-CB 3.45Å; D170-T172 PolarHBondContact OD1-N 2.92Å; D170-T172 PolarHBondContact OD1-OG1 3.39Å; T172-A174 PolarHBondContact O-N 3.5Å; T172-Y175 PolarHBondContact O-N 2.93Å; T172-V176 VanDerWaalsContact O-CG2 3.32Å; T172-V176 WeakPolarHBondContact O-CG2 3.37Å; T172-V176 PolarHBondContact O-N 2.84Å
173Y96.7Very high93.1Very high6 Ų662.1 Ų62.12%0.02431%0.312CS..Hα-helixtrans-63.7-42.7178.3-84-105.8000111.4F121 V125 N128 F129 L166 V167 D170 Y175 V176 N177F121-Y173 HydrophobicContact CE2-CE2 4.37Å; F121-Y173 HydrophobicContact CZ-CE2 4.36Å; V125-Y173 WeakPolarHBondContact CA-OH 3.43Å; V125-Y173 HydrophobicContact CB-CE2 4.36Å; V125-Y173 HydrophobicContact CG1-CE1 4.44Å; V125-Y173 HydrophobicContact CG1-CE2 4.31Å; V125-Y173 HydrophobicContact CG2-CD2 4.36Å; V125-Y173 HydrophobicContact CG2-CE2 3.56Å; N128-Y173 HydrophobicContact CB-CE1 4.09Å; N128-Y173 PolarHBondContact ND2-OH 3.41Å; F129-Y173 HydrophobicContact CD2-CD1 4.34Å; F129-Y173 HydrophobicContact CD2-CE1 4.45Å; F129-Y173 AromaticContact CE2-CD1 3.45Å; F129-Y173 HydrophobicContact CE2-CD1 3.45Å; F129-Y173 VanDerWaalsContact CE2-CD1 3.45Å; F129-Y173 AromaticContact CE2-CE1 3.96Å; F129-Y173 HydrophobicContact CE2-CE1 3.96Å; F129-Y173 HydrophobicContact CE2-CG 4.07Å; F129-Y173 AromaticContact CZ-CD1 3.9Å; F129-Y173 HydrophobicContact CZ-CD1 3.9Å; F129-Y173 HydrophobicContact CZ-CG 4.48Å; F129-Y173 WeakPolarHBondContact CZ-O 3.34Å; L166-Y173 HydrophobicContact CB-CD1 3.59Å; L166-Y173 HydrophobicContact CB-CD2 3.84Å; L166-Y173 HydrophobicContact CB-CE1 3.88Å; L166-Y173 HydrophobicContact CB-CE2 4.1Å; L166-Y173 HydrophobicContact CB-CG 3.57Å; L166-Y173 HydrophobicContact CD1-CD1 4.41Å; L166-Y173 HydrophobicContact CD1-CD2 4.27Å; L166-Y173 HydrophobicContact CD1-CE1 3.84Å; L166-Y173 HydrophobicContact CD1-CE2 3.67Å; L166-Y173 VanDerWaalsContact CD1-CZ 3.44Å; L166-Y173 HydrophobicContact CG-CE2 4.5Å; L166-Y173 WeakPolarHBondContact O-CB 3.33Å; V167-Y173 HydrophobicContact CG2-CD1 4.46Å; D170-Y173 HydrophobicContact CB-CD2 3.93Å; D170-Y173 HydrophobicContact CB-CG 4.43Å; D170-Y173 PolarHBondContact O-N 2.92Å; D170-Y173 PolarHBondContact OD1-N 3.33Å; Y173-Y175 VanDerWaalsContact C-N 3.31Å; Y173-Y175 PolarHBondContact O-N 3.24Å; Y173-V176 PolarHBondContact O-N 2.78Å; Y173-N177 VanDerWaalsContact O-CB 3.25Å; Y173-N177 WeakPolarHBondContact O-CB 3.11Å; Y173-N177 PolarHBondContact O-N 2.74Å
174A95.8Very high92.5Very high39 Ų3963.7 Ų63.732%0.32232%0.32SS..Hα-helixtrans-58-45.317600000111.4D170 K171 T172 N177 T178D170-A174 PolarHBondContact O-N 3.28Å; K171-A174 PolarHBondContact O-N 2.97Å; T172-A174 PolarHBondContact O-N 3.5Å; A174-N177 PolarHBondContact O-N 3Å; A174-T178 PolarHBondContact O-N 3.2Å; A174-T178 VanDerWaalsContact O-N 3.13Å
175Y97Very high91.6Very high97 Ų9767.1 Ų67.138%0.3833%0.329SS..Hα-helixtrans-67.9-47179.6-175-136.7000112.6A98 K171 T172 Y173 N177 T178 L179A98-Y175 HydrophobicContact CB-CD1 3.82Å; A98-Y175 HydrophobicContact CB-CE1 4.23Å; K171-Y175 WeakPolarHBondContact O-CB 3.33Å; K171-Y175 PolarHBondContact O-N 3.46Å; T172-Y175 PolarHBondContact O-N 2.93Å; Y173-Y175 VanDerWaalsContact C-N 3.31Å; Y173-Y175 PolarHBondContact O-N 3.24Å; Y175-N177 VanDerWaalsContact C-N 3.25Å; Y175-N177 PolarHBondContact O-N 3.31Å; Y175-T178 PolarHBondContact O-N 3.29Å; Y175-T178 PolarHBondContact O-OG1 3.47Å; Y175-L179 HydrophobicContact CD1-CD1 4.31Å; Y175-L179 HydrophobicContact CD2-CG 4.41Å; Y175-L179 HydrophobicContact CE1-CD1 3.96Å; Y175-L179 HydrophobicContact CE2-CD1 4.3Å; Y175-L179 HydrophobicContact CE2-CD2 4.09Å; Y175-L179 HydrophobicContact CE2-CG 4.07Å; Y175-L179 PolarHBondContact O-N 3.37Å; Y175-L179 VanDerWaalsContact O-N 3.08Å
176V97Very high90.2Very high0 Ų071.2 Ų71.20%035%0.348CS..Hα-helixtrans-56.8-41.7174.7171.50000111.2V95 A98 V125 F129 T172 Y173 T178 L179 I180V95-V176 HydrophobicContact CG2-CG1 3.74Å; V95-V176 HydrophobicContact CG2-CG2 4.28Å; A98-V176 HydrophobicContact CB-CG2 3.42Å; A98-V176 VanDerWaalsContact CB-CG2 3.42Å; V125-V176 HydrophobicContact CG1-CG2 4.33Å; F129-V176 HydrophobicContact CD1-CG1 4.27Å; F129-V176 HydrophobicContact CD2-CB 4.32Å; F129-V176 HydrophobicContact CD2-CG1 3.49Å; F129-V176 VanDerWaalsContact CD2-CG1 3.49Å; F129-V176 HydrophobicContact CE1-CG1 4.21Å; F129-V176 HydrophobicContact CE2-CB 3.77Å; F129-V176 HydrophobicContact CE2-CG1 3.42Å; F129-V176 VanDerWaalsContact CE2-CG1 3.42Å; F129-V176 HydrophobicContact CG-CG1 3.93Å; F129-V176 HydrophobicContact CZ-CB 4.02Å; F129-V176 HydrophobicContact CZ-CG1 3.81Å; T172-V176 VanDerWaalsContact O-CG2 3.32Å; T172-V176 WeakPolarHBondContact O-CG2 3.37Å; T172-V176 PolarHBondContact O-N 2.84Å; Y173-V176 PolarHBondContact O-N 2.78Å; V176-T178 VanDerWaalsContact C-N 3.31Å; V176-T178 PolarHBondContact O-N 3.09Å; V176-L179 PolarHBondContact O-N 3.3Å; V176-I180 HydrophobicContact CG1-CD1 3.55Å; V176-I180 HydrophobicContact CG1-CG1 4.21Å; V176-I180 WeakPolarHBondContact O-CG1 3.47Å; V176-I180 PolarHBondContact O-N 2.85Å
177N95.6Very high89.9Confident44 Ų4472.2 Ų72.224%0.23535%0.352CS..Hα-helixtrans-61.2-38.3176.3-178.860.7000112.2F129 V167 Y173 A174 Y175 N181F129-N177 HydrophobicContact CE1-CB 3.77Å; F129-N177 HydrophobicContact CZ-CB 3.93Å; V167-N177 HydrophobicContact CG1-CB 4.05Å; V167-N177 HydrophobicContact CG2-CB 3.85Å; Y173-N177 VanDerWaalsContact O-CB 3.25Å; Y173-N177 WeakPolarHBondContact O-CB 3.11Å; Y173-N177 PolarHBondContact O-N 2.74Å; A174-N177 PolarHBondContact O-N 3Å; Y175-N177 VanDerWaalsContact C-N 3.25Å; Y175-N177 PolarHBondContact O-N 3.31Å; N177-N181 VanDerWaalsContact CG-ND2 3.3Å; N177-N181 PolarHBondContact ND2-ND2 2.99Å; N177-N181 WeakPolarHBondContact O-CB 3.4Å; N177-N181 VanDerWaalsContact O-CG 3.25Å; N177-N181 PolarHBondContact O-N 3.41Å; N177-N181 PolarHBondContact O-ND2 3.35Å; N177-N181 PolarHBondContact OD1-ND2 3.37Å
178T94.3Very high89.7Confident66 Ų6674.2 Ų74.241%0.40536%0.359SS..Hα-helixtrans-63.5-49.1174.358.40000111.7A174 Y175 V176 I180 N181 D182A174-T178 PolarHBondContact O-N 3.2Å; A174-T178 VanDerWaalsContact O-N 3.13Å; Y175-T178 PolarHBondContact O-N 3.29Å; Y175-T178 PolarHBondContact O-OG1 3.47Å; V176-T178 VanDerWaalsContact C-N 3.31Å; V176-T178 PolarHBondContact O-N 3.09Å; T178-I180 PolarHBondContact O-N 2.86Å; T178-N181 PolarHBondContact O-N 3.06Å; T178-D182 PolarHBondContact O-N 3.38Å
179L95.8Very high89.8Confident29 Ų2974.8 Ų74.815%0.15234%0.343CS..Hα-helixtrans-58.2-45.8179.3-67176.3000112.4Q94 T97 A98 Y175 V176 D182 R183Q94-L179 HydrophobicContact CB-CB 4.01Å; Q94-L179 HydrophobicContact CG-CB 4.23Å; Q94-L179 WeakPolarHBondContact O-CD1 3.41Å; T97-L179 HydrophobicContact CG2-CD1 4.03Å; A98-L179 HydrophobicContact CB-CD1 4.45Å; Y175-L179 HydrophobicContact CD1-CD1 4.31Å; Y175-L179 HydrophobicContact CD2-CG 4.41Å; Y175-L179 HydrophobicContact CE1-CD1 3.96Å; Y175-L179 HydrophobicContact CE2-CD1 4.3Å; Y175-L179 HydrophobicContact CE2-CD2 4.09Å; Y175-L179 HydrophobicContact CE2-CG 4.07Å; Y175-L179 PolarHBondContact O-N 3.37Å; Y175-L179 VanDerWaalsContact O-N 3.08Å; V176-L179 PolarHBondContact O-N 3.3Å; L179-D182 PolarHBondContact O-N 3.14Å; L179-R183 WeakPolarHBondContact O-CB 3.24Å; L179-R183 PolarHBondContact O-N 2.83Å
180I93Very high89.7Confident2 Ų267.6 Ų67.61%0.0132%0.317CS..Hα-helixtrans-65.1-44.6178.1-69.5170.3000111.1M90 V91 Q94 F129 V133 V176 T178 D182 R183 L184M90-I180 HydrophobicContact CE-CG2 4.37Å; M90-I180 HydrophobicContact SD-CG1 4.48Å; M90-I180 HydrophobicContact SD-CG2 4.46Å; V91-I180 HydrophobicContact CB-CD1 4.5Å; V91-I180 HydrophobicContact CG1-CD1 4.03Å; V91-I180 HydrophobicContact CG2-CD1 4.1Å; Q94-I180 HydrophobicContact CB-CG1 3.83Å; Q94-I180 HydrophobicContact CG-CG1 3.97Å; F129-I180 HydrophobicContact CB-CD1 3.69Å; F129-I180 HydrophobicContact CD1-CD1 3.43Å; F129-I180 VanDerWaalsContact CD1-CD1 3.43Å; F129-I180 HydrophobicContact CD2-CD1 4.42Å; F129-I180 HydrophobicContact CE1-CD1 4.15Å; F129-I180 HydrophobicContact CG-CD1 3.59Å; V133-I180 HydrophobicContact CG2-CG2 3.91Å; V176-I180 HydrophobicContact CG1-CD1 3.55Å; V176-I180 HydrophobicContact CG1-CG1 4.21Å; V176-I180 WeakPolarHBondContact O-CG1 3.47Å; V176-I180 PolarHBondContact O-N 2.85Å; T178-I180 PolarHBondContact O-N 2.86Å; I180-D182 VanDerWaalsContact C-N 3.31Å; I180-D182 PolarHBondContact O-N 2.83Å; I180-R183 PolarHBondContact O-N 3.43Å; I180-L184 HydrophobicContact CG2-CD1 3.75Å; I180-L184 HydrophobicContact CG2-CG 4.22Å; I180-L184 WeakPolarHBondContact O-CB 3.42Å; I180-L184 VanDerWaalsContact O-CG 3.29Å; I180-L184 WeakPolarHBondContact O-CG 3.11Å; I180-L184 PolarHBondContact O-N 3.33Å
181N88.7Confident89.4Confident26 Ų2668.6 Ų68.614%0.13932%0.32CS..Hα-helixtrans-66.5-34.2-179.4-75.4-49.9000112.3R137 N177 T178 R185R137-N181 PolarHBondContact NH2-OD1 3.14Å; N177-N181 VanDerWaalsContact CG-ND2 3.3Å; N177-N181 PolarHBondContact ND2-ND2 2.99Å; N177-N181 WeakPolarHBondContact O-CB 3.4Å; N177-N181 VanDerWaalsContact O-CG 3.25Å; N177-N181 PolarHBondContact O-N 3.41Å; N177-N181 PolarHBondContact O-ND2 3.35Å; N177-N181 PolarHBondContact OD1-ND2 3.37Å; T178-N181 PolarHBondContact O-N 3.06Å; N181-R185 WeakPolarHBondContact O-CD 3.31Å; N181-R185 VanDerWaalsContact O-CG 3.23Å; N181-R185 WeakPolarHBondContact O-CG 3.38Å; N181-R185 PolarHBondContact O-N 2.91Å
182D88.2Confident89.2Confident85 Ų8560.7 Ų60.746%0.45529%0.287SS..Hα-helixtrans-69.7-43.4174.4-69.5-20.6000110.6T178 L179 I180 L184 R185T178-D182 PolarHBondContact O-N 3.38Å; L179-D182 PolarHBondContact O-N 3.14Å; I180-D182 VanDerWaalsContact C-N 3.31Å; I180-D182 PolarHBondContact O-N 2.83Å; D182-L184 VanDerWaalsContact C-N 3.31Å; D182-L184 PolarHBondContact O-N 3.34Å; D182-R185 PolarHBondContact O-N 3.25Å; D182-R185 VanDerWaalsContact O-N 3.1Å; D182-R185 IonicContact OD1-NH1 3.42Å; D182-R185 PolarHBondContact OD1-NH1 3.04Å
183R85.9Confident88.8Confident106 Ų10664.5 Ų64.540%0.430%0.304SS..Hα-helixtrans-62.8-34.2176.5-171.357.9169.3178.57.3113.8M90 Q94 L179 I180 R185 E186M90-R183 HydrophobicContact CG-CG 3.6Å; M90-R183 HydrophobicContact SD-CB 4.28Å; M90-R183 HydrophobicContact SD-CG 3.91Å; Q94-R183 HydrophobicContact CG-CB 4.48Å; L179-R183 WeakPolarHBondContact O-CB 3.24Å; L179-R183 PolarHBondContact O-N 2.83Å; I180-R183 PolarHBondContact O-N 3.43Å; R183-R185 VanDerWaalsContact C-N 3.28Å; R183-R185 PolarHBondContact O-N 3.15Å; R183-E186 IonicContact CZ-OE2 2.81Å; R183-E186 IonicContact NE-OE2 2.98Å; R183-E186 IonicContact NH1-OE1 2.94Å; R183-E186 IonicContact NH1-OE2 3.74Å; R183-E186 PolarHBondContact NH1-OE2 2.65Å
184L79.1Confident88.2Confident33 Ų3369 Ų6917%0.17333%0.326CS..THydrogen-bonded Turntrans-76.3-12.3177-73.7174.1000113.7M90 V133 R137 I180 D182M90-L184 HydrophobicContact CE-CD2 3.77Å; M90-L184 HydrophobicContact CE-CG 4.13Å; V133-L184 HydrophobicContact CG1-CD1 4.36Å; V133-L184 HydrophobicContact CG2-CD1 4.43Å; R137-L184 HydrophobicContact CG-CD1 4.01Å; I180-L184 HydrophobicContact CG2-CD1 3.75Å; I180-L184 HydrophobicContact CG2-CG 4.22Å; I180-L184 WeakPolarHBondContact O-CB 3.42Å; I180-L184 VanDerWaalsContact O-CG 3.29Å; I180-L184 WeakPolarHBondContact O-CG 3.11Å; I180-L184 PolarHBondContact O-N 3.33Å; D182-L184 VanDerWaalsContact C-N 3.31Å; D182-L184 PolarHBondContact O-N 3.34Å
185R73.5Confident87.6Confident180 Ų18071.5 Ų71.568%0.67933%0.326SS*.THydrogen-bonded Turntrans-92-16.5177.4-73.2167.4-175.6160.8-0.1113.5N181 D182 R183N181-R185 WeakPolarHBondContact O-CD 3.31Å; N181-R185 VanDerWaalsContact O-CG 3.23Å; N181-R185 WeakPolarHBondContact O-CG 3.38Å; N181-R185 PolarHBondContact O-N 2.91Å; D182-R185 PolarHBondContact O-N 3.25Å; D182-R185 VanDerWaalsContact O-N 3.1Å; D182-R185 IonicContact OD1-NH1 3.42Å; D182-R185 PolarHBondContact OD1-NH1 3.04Å; R183-R185 VanDerWaalsContact C-N 3.28Å; R183-R185 PolarHBondContact O-N 3.15Å
186E62.8Low86.7Confident190 Ų19069.2 Ų69.289%0.88832%0.321SS*.  trans-66.20173-67177.6-168.600111.5R183R183-E186 IonicContact CZ-OE2 2.81Å; R183-E186 IonicContact NE-OE2 2.98Å; R183-E186 IonicContact NH1-OE1 2.94Å; R183-E186 IonicContact NH1-OE2 3.74Å; R183-E186 PolarHBondContact NH1-OE2 2.65Å

Retrieved 186 of 186 residues in 422.6 ms (Link to these results)

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