A0A077Z4P7_TRITR Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z4P7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 226 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
1M31.1Very low64.8Low239 Ų239110.6 Ų110.6100%1.17757%0.567SS**  0117.60-76.5170.582.400106.5T3M1-T3 PolarHBondContact O-N 3.16Å
2G39.7Very low66.8Low67 Ų67102.8 Ų102.869%0.69153%0.528SS*.  trans-57.2130-178.400000109.2E4G2-E4 PolarHBondContact O-N 3.43Å
3T45.4Very low68.3Low136 Ų136100.8 Ų100.883%0.83455%0.548SS*.  trans-65.979.5154.750.90000105.1M1 R5M1-T3 PolarHBondContact O-N 3.16Å; T3-R5 VanDerWaalsContact C-N 3.33Å; T3-R5 PolarHBondContact O-N 2.95Å
4E47.8Very low69.4Low178 Ų17894.8 Ų94.883%0.83252%0.518SS*.  trans-51.8107.1169.9-85.9176.9147.200105.5G2 T6G2-E4 PolarHBondContact O-N 3.43Å; E4-T6 PolarHBondContact O-N 2.7Å
5R54.2Low70.6Confident203 Ų20389.2 Ų89.277%0.76649%0.488SS*.  trans-54.4112.8176.6-64.4179.4-175.6-173.82.4105.2T3 K7 D53T3-R5 VanDerWaalsContact C-N 3.33Å; T3-R5 PolarHBondContact O-N 2.95Å; R5-K7 PolarHBondContact O-N 2.9Å; R5-D53 IonicContact NH1-OD1 2.84Å
6T62.7Low71.6Confident68 Ų6884.4 Ų84.442%0.41746%0.461SS..  trans-77.978.8162.834.90000104.7E4 R8 L9E4-T6 PolarHBondContact O-N 2.7Å; T6-R8 PolarHBondContact O-N 3.26Å; T6-L9 HydrophobicContact CG2-CD1 3.96Å; T6-L9 PolarHBondContact O-N 3.44Å
7K71.9Confident72.4Confident81 Ų8186 Ų8635%0.35248%0.476SS..THydrogen-bonded Turntrans-55.98.1-179175.5160.1171.9145.50113.6R5 L34 E49 Q52 D53R5-K7 PolarHBondContact O-N 2.9Å; K7-L34 VanDerWaalsContact O-CD1 3.28Å; K7-L34 WeakPolarHBondContact O-CD1 3.39Å; K7-E49 HydrophobicContact CG-CG 4.38Å; K7-Q52 VanDerWaalsContact CA-OE1 3.25Å; K7-Q52 PolarHBondContact O-OE1 2.88Å; K7-D53 IonicContact NZ-OD2 2.77Å; K7-D53 PolarHBondContact NZ-OD2 3.26Å
8R87.9Confident73.1Confident137 Ų13784.8 Ų84.852%0.51747%0.471SS..THydrogen-bonded Turntrans-138.36.3-176.4-62.1-174.1175.3-176.4-1.2113.4T6 S33 L34 E35 E49T6-R8 PolarHBondContact O-N 3.26Å; R8-S33 CarbonylContact O-C 3.47Å; R8-S33 VanDerWaalsContact O-CA 3.23Å; R8-S33 WeakPolarHBondContact O-CA 3.46Å; R8-L34 PolarHBondContact O-N 3.29Å; R8-E35 WeakPolarHBondContact CD-OE1 3.33Å; R8-E49 IonicContact CZ-OE1 3.4Å; R8-E49 IonicContact NE-OE1 2.77Å; R8-E49 PolarHBondContact NE-OE1 2.78Å; R8-E49 IonicContact NH2-OE1 3.2Å; R8-E49 PolarHBondContact NH2-OE1 2.97Å
9L92.1Very high73.7Confident56 Ų5680.3 Ų80.329%0.29345%0.447SS..EExtended strand (participates in β ladder)trans-128.7137.3177.9-60.2175.8000110.6T6 K31 I32 Q52T6-L9 HydrophobicContact CG2-CD1 3.96Å; T6-L9 PolarHBondContact O-N 3.44Å; L9-K31 HydrophobicContact CB-CB 4.37Å; L9-K31 HydrophobicContact CB-CD 4Å; L9-K31 HydrophobicContact CD1-CD 3.76Å; L9-K31 HydrophobicContact CG-CD 4.46Å; L9-I32 CarbonylContact C-O 3.57Å; L9-I32 WeakPolarHBondContact CA-O 3.2Å; L9-Q52 PolarHBondContact O-NE2 3.4Å
10I90.8Very high74.5Confident1 Ų179 Ų791%0.00544%0.438CS..EExtended strand (participates in β ladder)trans-111128.8171.6-58.8-67.3000107.8L15 K31 I32 L34 M37 Q52 Y56 F119I10-L15 HydrophobicContact CG2-CD1 4.13Å; I10-L15 HydrophobicContact CG2-CD2 3.91Å; I10-L15 HydrophobicContact CG2-CG 4.04Å; I10-K31 CarbonylContact O-C 3.42Å; I10-K31 WeakPolarHBondContact O-CA 3.28Å; I10-K31 WeakPolarHBondContact O-CB 3.4Å; I10-I32 HydrophobicContact CB-CG2 3.91Å; I10-I32 PolarHBondContact N-O 3.15Å; I10-I32 PolarHBondContact O-N 2.94Å; I10-L34 HydrophobicContact CD1-CD2 4.14Å; I10-L34 HydrophobicContact CG1-CD2 3.7Å; I10-M37 HydrophobicContact CG1-CE 4.21Å; I10-Q52 HydrophobicContact CD1-CG 4Å; I10-Q52 VanDerWaalsContact CD1-NE2 3.28Å; I10-Y56 HydrophobicContact CD1-CE2 4.04Å; I10-F119 HydrophobicContact CB-CD1 4.46Å; I10-F119 HydrophobicContact CD1-CD1 3.34Å; I10-F119 HydrophobicContact CD1-CE1 3.47Å; I10-F119 VanDerWaalsContact CD1-CE1 3.47Å; I10-F119 HydrophobicContact CD1-CG 3.95Å; I10-F119 HydrophobicContact CD1-CZ 4.23Å; I10-F119 HydrophobicContact CG1-CD1 3.5Å; I10-F119 HydrophobicContact CG1-CE1 3.69Å; I10-F119 HydrophobicContact CG1-CG 4.46Å; I10-F119 HydrophobicContact CG2-CB 4.38Å; I10-F119 HydrophobicContact CG2-CD1 4.22Å
11S89.3Confident75Confident51 Ų5180 Ų8036%0.35745%0.448SS..EExtended strand (participates in β ladder)trans-71132.6174.5-173.60000109.8G13 A14S11-G13 PolarHBondContact O-N 3.01Å; S11-G13 PolarHBondContact OG-N 2.75Å; S11-A14 WeakPolarHBondContact O-CB 3.46Å; S11-A14 PolarHBondContact O-N 3.3Å
12L89Confident77.6Confident17 Ų1771.1 Ų71.19%0.08941%0.413CS..G310 helixtrans-62.9-24.4174.9-61.7-172.6000112.2A14 L15 V25 E29 K30 I32L12-A14 PolarHBondContact O-N 3.12Å; L12-L15 HydrophobicContact CD2-CD1 3.8Å; L12-L15 WeakPolarHBondContact O-CB 3.33Å; L12-L15 PolarHBondContact O-N 3.03Å; L12-L15 VanDerWaalsContact O-N 3.11Å; L12-V25 HydrophobicContact CD1-CB 4.33Å; L12-V25 HydrophobicContact CD1-CG2 3.88Å; L12-V25 HydrophobicContact CD2-CG1 4.32Å; L12-V25 HydrophobicContact CD2-CG2 4.3Å; L12-E29 HydrophobicContact CD1-CB 4.21Å; L12-E29 VanDerWaalsContact CD1-O 3.26Å; L12-E29 WeakPolarHBondContact CD1-O 3.37Å; L12-K30 PolarHBondContact N-O 2.87Å; L12-I32 HydrophobicContact CD2-CB 4.19Å; L12-I32 HydrophobicContact CD2-CG2 4.1Å
13G85.4Confident80Confident77 Ų7767.9 Ų67.979%0.79438%0.38SS*.G310 helixtrans-71.7-11.7172.500000114.6S11S11-G13 PolarHBondContact O-N 3.01Å; S11-G13 PolarHBondContact OG-N 2.75Å
14A84.1Confident82Confident16 Ų1664.3 Ų64.313%0.13237%0.369CS..G310 helixtrans-89.8-6.8170.400000112.4S11 L12 G63S11-A14 WeakPolarHBondContact O-CB 3.46Å; S11-A14 PolarHBondContact O-N 3.3Å; L12-A14 PolarHBondContact O-N 3.12Å; A14-G63 WeakPolarHBondContact CB-O 3.44Å
15L88.1Confident84Confident11 Ų1157 Ų576%0.05834%0.337CS..SBendtrans-100.6150.5178.6-56.7175.6000109.7I10 L12 I20 L23 I32 D118 F119I10-L15 HydrophobicContact CG2-CD1 4.13Å; I10-L15 HydrophobicContact CG2-CD2 3.91Å; I10-L15 HydrophobicContact CG2-CG 4.04Å; L12-L15 HydrophobicContact CD2-CD1 3.8Å; L12-L15 WeakPolarHBondContact O-CB 3.33Å; L12-L15 PolarHBondContact O-N 3.03Å; L12-L15 VanDerWaalsContact O-N 3.11Å; L15-I20 HydrophobicContact CB-CG1 4.4Å; L15-L23 HydrophobicContact CD1-CD1 3.36Å; L15-I32 HydrophobicContact CD1-CG2 4.35Å; L15-D118 WeakPolarHBondContact CA-OD2 3.39Å; L15-D118 HydrophobicContact CD2-CB 4.07Å; L15-F119 HydrophobicContact CD2-CB 3.99Å
16K86.4Confident85.5Confident13 Ų1353.7 Ų53.76%0.05733%0.33CS..  trans-70.7146.8172.7-66-177.8-177.8177.10109.9T18 S19 I20 S95 D97 T116 D118 E121K16-T18 PolarHBondContact O-N 3.28Å; K16-T18 VanDerWaalsContact O-N 3.12Å; K16-S19 PolarHBondContact O-N 2.81Å; K16-I20 PolarHBondContact O-N 2.8Å; K16-S95 PolarHBondContact NZ-OG 3.13Å; K16-D97 VanDerWaalsContact CD-OD2 3.28Å; K16-D97 WeakPolarHBondContact CD-OD2 2.91Å; K16-D97 WeakPolarHBondContact CE-OD2 3.42Å; K16-D97 IonicContact NZ-OD2 3.99Å; K16-D97 PolarHBondContact NZ-OD2 3.4Å; K16-T116 WeakPolarHBondContact CE-O 3.48Å; K16-T116 PolarHBondContact NZ-O 2.89Å; K16-D118 HydrophobicContact CG-CB 4.16Å; K16-D118 PolarHBondContact N-OD2 3.5Å; K16-E121 VanDerWaalsContact CD-OE2 3.27Å; K16-E121 WeakPolarHBondContact CD-OE2 3.48Å; K16-E121 WeakPolarHBondContact CE-OE2 3.38Å; K16-E121 IonicContact NZ-OE1 3.8Å; K16-E121 PolarHBondContact NZ-OE1 2.98Å; K16-E121 IonicContact NZ-OE2 2.76Å; K16-E121 PolarHBondContact NZ-OE2 3.19Å
17P85.3Confident86.4Confident111 Ų11155.9 Ų55.972%0.72136%0.355SS*.THydrogen-bonded Turntrans-55.4-29.8173.4-26.135.2000113.6P21P17-P21 VanDerWaalsContact O-CD 3.28Å; P17-P21 WeakPolarHBondContact O-CD 3.47Å
18T84.1Confident87.2Confident64 Ų6457.9 Ų57.939%0.39337%0.37SS..THydrogen-bonded Turntrans-72-28.1178.1440000113.3K16 D97K16-T18 PolarHBondContact O-N 3.28Å; K16-T18 VanDerWaalsContact O-N 3.12Å; T18-D97 PolarHBondContact OG1-OD1 3.4Å; T18-D97 VanDerWaalsContact OG1-OD1 3.05Å
19S85.7Confident87.3Confident0 Ų055 Ų550%036%0.362CS..THydrogen-bonded Turntrans-80.8-30177.5-52.40000113.2K16 A22 D118K16-S19 PolarHBondContact O-N 2.81Å; S19-A22 WeakPolarHBondContact O-CB 3.37Å; S19-A22 PolarHBondContact O-N 3.41Å; S19-A22 VanDerWaalsContact O-N 3.14Å; S19-D118 WeakPolarHBondContact CB-OD2 3.39Å; S19-D118 PolarHBondContact OG-OD2 3.1Å
20I88.1Confident87.3Confident53 Ų5360.6 Ų60.627%0.27238%0.384SS..G310 helixtrans-55.5-44.3-173.4-67.5174.1000113.4L15 K16 A22 L23 V25L15-I20 HydrophobicContact CB-CG1 4.4Å; K16-I20 PolarHBondContact O-N 2.8Å; I20-A22 PolarHBondContact O-N 2.81Å; I20-L23 WeakPolarHBondContact O-CB 3.14Å; I20-L23 PolarHBondContact O-N 3.09Å; I20-V25 HydrophobicContact CG2-CG2 3.6Å
21P86.1Confident87.4Confident101 Ų10165.1 Ų65.166%0.65640%0.404SS*.G310 helixtrans-57.9-33.9178.9-2735.9000114.1P17 L23 G24P17-P21 VanDerWaalsContact O-CD 3.28Å; P17-P21 WeakPolarHBondContact O-CD 3.47Å; P21-L23 PolarHBondContact O-N 3.13Å; P21-G24 PolarHBondContact O-N 2.89Å
22A86Confident87.6Confident52 Ų5262.8 Ų62.843%0.4339%0.387SS..G310 helixtrans-69.6-17.2179.200000112.9S19 I20 Y120S19-A22 WeakPolarHBondContact O-CB 3.37Å; S19-A22 PolarHBondContact O-N 3.41Å; S19-A22 VanDerWaalsContact O-N 3.14Å; I20-A22 PolarHBondContact O-N 2.81Å; A22-Y120 HydrophobicContact CB-CE1 4.25Å
23L89.2Confident87.8Confident0 Ų063.7 Ų63.70%040%0.395CS..G310 helixtrans-89-6.7-177.1-62.4174.6000113.9L15 I20 P21 V25 I32 H36 M37 L40 Y120L15-L23 HydrophobicContact CD1-CD1 3.36Å; I20-L23 WeakPolarHBondContact O-CB 3.14Å; I20-L23 PolarHBondContact O-N 3.09Å; P21-L23 PolarHBondContact O-N 3.13Å; L23-V25 HydrophobicContact CB-CG1 4.01Å; L23-V25 HydrophobicContact CB-CG2 4.44Å; L23-V25 PolarHBondContact O-N 3.23Å; L23-V25 VanDerWaalsContact O-N 3.08Å; L23-I32 HydrophobicContact CB-CD1 3.9Å; L23-I32 HydrophobicContact CD1-CD1 4.37Å; L23-I32 HydrophobicContact CD2-CD1 4.07Å; L23-I32 HydrophobicContact CG-CD1 4.34Å; L23-H36 PolarHBondContact O-CE1 3.17Å; L23-M37 HydrophobicContact CD2-CG 4.09Å; L23-M37 HydrophobicContact CD2-SD 3.96Å; L23-L40 HydrophobicContact CB-CD1 4.46Å; L23-L40 HydrophobicContact CD2-CD1 4.2Å; L23-L40 WeakPolarHBondContact O-CD1 3.31Å; L23-Y120 HydrophobicContact CD2-CD2 3.56Å; L23-Y120 HydrophobicContact CD2-CE2 3.88Å; L23-Y120 HydrophobicContact CD2-CG 4.35Å; L23-Y120 HydrophobicContact CG-CD2 4.43Å
24G87.9Confident88.3Confident60 Ų6060 Ų6062%0.61936%0.357SS*.THydrogen-bonded Turntrans57.725.5178.800000114.1P21P21-G24 PolarHBondContact O-N 2.89Å
25V89Confident88.8Confident25 Ų2562.4 Ų62.415%0.15237%0.366CS..  trans-79.1148.6-179.9-66.30000111.4L12 I20 L23 E29 I32L12-V25 HydrophobicContact CD1-CB 4.33Å; L12-V25 HydrophobicContact CD1-CG2 3.88Å; L12-V25 HydrophobicContact CD2-CG1 4.32Å; L12-V25 HydrophobicContact CD2-CG2 4.3Å; I20-V25 HydrophobicContact CG2-CG2 3.6Å; L23-V25 HydrophobicContact CB-CG1 4.01Å; L23-V25 HydrophobicContact CB-CG2 4.44Å; L23-V25 PolarHBondContact O-N 3.23Å; L23-V25 VanDerWaalsContact O-N 3.08Å; V25-E29 WeakPolarHBondContact CA-OE2 3.24Å; V25-E29 WeakPolarHBondContact CB-OE2 3.39Å; V25-I32 HydrophobicContact CG1-CB 4.13Å; V25-I32 HydrophobicContact CG1-CD1 3.83Å; V25-I32 HydrophobicContact CG1-CG1 4.2Å
26Q85.6Confident89Confident133 Ų13365 Ų6562%0.62138%0.377SS*.  trans-75.5153.6175.8-54.1-173.72.600110.7D28 E29Q26-D28 WeakPolarHBondContact CB-OD1 3.47Å; Q26-D28 PolarHBondContact O-N 2.61Å; Q26-D28 VanDerWaalsContact O-N 3.14Å; Q26-E29 HydrophobicContact CB-CG 4.13Å; Q26-E29 PolarHBondContact N-OE2 2.8Å; Q26-E29 WeakPolarHBondContact O-CB 3.41Å; Q26-E29 PolarHBondContact O-N 3.13Å; Q26-E29 VanDerWaalsContact O-N 3.11Å
27A81.9Confident89.4Confident114 Ų11464.3 Ų64.394%0.94237%0.374SS*.THydrogen-bonded Turntrans-63.4-21.7-173.600000114.4
28D88.5Confident89.7Confident124 Ų12459.2 Ų59.266%0.66334%0.342SS*.THydrogen-bonded Turntrans-94.7-9.3178.966-50000113.7Q26Q26-D28 WeakPolarHBondContact CB-OD1 3.47Å; Q26-D28 PolarHBondContact O-N 2.61Å; Q26-D28 VanDerWaalsContact O-N 3.14Å
29E91.4Very high90Very high76 Ų7664.1 Ų64.136%0.35536%0.357SS..  trans-65.5143.4175.7-70.9-173.8115.100110.8L12 V25 Q26L12-E29 HydrophobicContact CD1-CB 4.21Å; L12-E29 VanDerWaalsContact CD1-O 3.26Å; L12-E29 WeakPolarHBondContact CD1-O 3.37Å; V25-E29 WeakPolarHBondContact CA-OE2 3.24Å; V25-E29 WeakPolarHBondContact CB-OE2 3.39Å; Q26-E29 HydrophobicContact CB-CG 4.13Å; Q26-E29 PolarHBondContact N-OE2 2.8Å; Q26-E29 WeakPolarHBondContact O-CB 3.41Å; Q26-E29 PolarHBondContact O-N 3.13Å; Q26-E29 VanDerWaalsContact O-N 3.11Å
30K91.9Very high90.2Very high173 Ų17367.5 Ų67.575%0.75238%0.375SS*.  trans-112.3-14.6177.1-65.3-176.5-179.4178.20113.1L12L12-K30 PolarHBondContact N-O 2.87Å
31K92.6Very high90.2Very high96 Ų9665.9 Ų65.942%0.41737%0.367SS..EExtended strand (participates in β ladder)trans-146.3149.8-176.9-60-175.2176.8-174.60109L9 I10L9-K31 HydrophobicContact CB-CB 4.37Å; L9-K31 HydrophobicContact CB-CD 4Å; L9-K31 HydrophobicContact CD1-CD 3.76Å; L9-K31 HydrophobicContact CG-CD 4.46Å; I10-K31 CarbonylContact O-C 3.42Å; I10-K31 WeakPolarHBondContact O-CA 3.28Å; I10-K31 WeakPolarHBondContact O-CB 3.4Å
32I93.4Very high90.2Very high2 Ų271.5 Ų71.51%0.0138%0.375CS..EExtended strand (participates in β ladder)trans-112.3144.7168-175.9167.3000109.3L9 I10 L12 L15 L23 V25 H36 M37L9-I32 CarbonylContact C-O 3.57Å; L9-I32 WeakPolarHBondContact CA-O 3.2Å; I10-I32 HydrophobicContact CB-CG2 3.91Å; I10-I32 PolarHBondContact N-O 3.15Å; I10-I32 PolarHBondContact O-N 2.94Å; L12-I32 HydrophobicContact CD2-CB 4.19Å; L12-I32 HydrophobicContact CD2-CG2 4.1Å; L15-I32 HydrophobicContact CD1-CG2 4.35Å; L23-I32 HydrophobicContact CB-CD1 3.9Å; L23-I32 HydrophobicContact CD1-CD1 4.37Å; L23-I32 HydrophobicContact CD2-CD1 4.07Å; L23-I32 HydrophobicContact CG-CD1 4.34Å; V25-I32 HydrophobicContact CG1-CB 4.13Å; V25-I32 HydrophobicContact CG1-CD1 3.83Å; V25-I32 HydrophobicContact CG1-CG1 4.2Å; I32-H36 HydrophobicContact CD1-CB 4.29Å; I32-H36 HydrophobicContact CG1-CB 4.01Å; I32-M37 HydrophobicContact CD1-CB 4.23Å
33S94.3Very high90.2Very high36 Ų3670 Ų7025%0.25236%0.361SS..EExtended strand (participates in β ladder)trans-82.1148175.3100.90000112R8 E35 H36 M37R8-S33 CarbonylContact O-C 3.47Å; R8-S33 VanDerWaalsContact O-CA 3.23Å; R8-S33 WeakPolarHBondContact O-CA 3.46Å; S33-E35 WeakPolarHBondContact CB-OE2 3.3Å; S33-E35 PolarHBondContact O-N 3.23Å; S33-E35 PolarHBondContact OG-N 2.9Å; S33-E35 PolarHBondContact OG-OE2 3.39Å; S33-H36 PolarHBondContact O-N 3.47Å; S33-H36 VanDerWaalsContact O-N 3.14Å; S33-H36 PolarHBondContact OG-N 3.49Å; S33-M37 PolarHBondContact O-N 2.75Å
34L94.5Very high90.2Very high0 Ų075.1 Ų75.10%038%0.383CS..Hα-helixtrans-63.2-29.7174-67-171.7000111K7 R8 I10 M37 A38 V45 L48 E49 Q52 F119K7-L34 VanDerWaalsContact O-CD1 3.28Å; K7-L34 WeakPolarHBondContact O-CD1 3.39Å; R8-L34 PolarHBondContact O-N 3.29Å; I10-L34 HydrophobicContact CD1-CD2 4.14Å; I10-L34 HydrophobicContact CG1-CD2 3.7Å; L34-M37 HydrophobicContact CD2-CE 3.92Å; L34-M37 PolarHBondContact O-N 3.15Å; L34-A38 WeakPolarHBondContact O-CB 3.48Å; L34-A38 PolarHBondContact O-N 3.48Å; L34-V45 HydrophobicContact CB-CG1 4.14Å; L34-L48 HydrophobicContact CB-CB 4.44Å; L34-L48 HydrophobicContact CD1-CB 4.23Å; L34-L48 HydrophobicContact CD2-CB 4.22Å; L34-L48 HydrophobicContact CD2-CD1 4.4Å; L34-E49 HydrophobicContact CD1-CG 3.85Å; L34-Q52 HydrophobicContact CD1-CB 4.41Å; L34-F119 HydrophobicContact CD2-CE1 3.75Å; L34-F119 HydrophobicContact CD2-CZ 4.39Å
35E94.4Very high90.4Very high67 Ų6774.3 Ų74.331%0.31337%0.366SS..Hα-helixtrans-63.5-40.7172.8-5780.4-17800112.5R8 S33 K39 V45R8-E35 WeakPolarHBondContact CD-OE1 3.33Å; S33-E35 WeakPolarHBondContact CB-OE2 3.3Å; S33-E35 PolarHBondContact O-N 3.23Å; S33-E35 PolarHBondContact OG-N 2.9Å; S33-E35 PolarHBondContact OG-OE2 3.39Å; E35-K39 WeakPolarHBondContact O-CG 3.34Å; E35-K39 PolarHBondContact O-N 2.96Å; E35-V45 HydrophobicContact CB-CG2 4.35Å; E35-V45 HydrophobicContact CG-CG1 4.34Å; E35-V45 HydrophobicContact CG-CG2 4.1Å
36H93.8Very high90.5Very high64 Ų6474.8 Ų74.830%0.29638%0.376SS..Hα-helixtrans-67.1-49.6175.4-173.8-174.7000110L23 I32 S33 A38 K39 L40L23-H36 PolarHBondContact O-CE1 3.17Å; I32-H36 HydrophobicContact CD1-CB 4.29Å; I32-H36 HydrophobicContact CG1-CB 4.01Å; S33-H36 PolarHBondContact O-N 3.47Å; S33-H36 VanDerWaalsContact O-N 3.14Å; S33-H36 PolarHBondContact OG-N 3.49Å; H36-A38 VanDerWaalsContact C-N 3.33Å; H36-A38 PolarHBondContact O-N 3.32Å; H36-K39 WeakPolarHBondContact O-CB 3.46Å; H36-K39 PolarHBondContact O-N 3.1Å; H36-L40 PolarHBondContact O-N 2.93Å
37M93.6Very high90.7Very high0 Ų071.1 Ų71.10%036%0.359CS..Hα-helixtrans-65.9-35.5-177.5-164.2159.570.400112.8I10 L23 I32 S33 L34 K39 L40 M41 L48 F119 Y120I10-M37 HydrophobicContact CG1-CE 4.21Å; L23-M37 HydrophobicContact CD2-CG 4.09Å; L23-M37 HydrophobicContact CD2-SD 3.96Å; I32-M37 HydrophobicContact CD1-CB 4.23Å; S33-M37 PolarHBondContact O-N 2.75Å; L34-M37 HydrophobicContact CD2-CE 3.92Å; L34-M37 PolarHBondContact O-N 3.15Å; M37-K39 VanDerWaalsContact C-N 3.29Å; M37-K39 PolarHBondContact O-N 2.93Å; M37-L40 PolarHBondContact O-N 2.93Å; M37-M41 HydrophobicContact CG-CG 3.98Å; M37-M41 WeakPolarHBondContact O-CB 3.16Å; M37-M41 VanDerWaalsContact O-CG 3.28Å; M37-M41 WeakPolarHBondContact O-CG 3.23Å; M37-M41 PolarHBondContact O-N 2.87Å; M37-L48 HydrophobicContact CB-CD1 4.09Å; M37-L48 HydrophobicContact CE-CD1 4.12Å; M37-L48 HydrophobicContact CG-CD1 4.34Å; M37-F119 HydrophobicContact CE-CD1 3.25Å; M37-F119 HydrophobicContact CE-CE1 3.1Å; M37-F119 HydrophobicContact CE-CZ 4.3Å; M37-F119 HydrophobicContact SD-CD1 4.43Å; M37-Y120 HydrophobicContact SD-CD2 4.5Å
38A92.3Very high91.2Very high4 Ų465.7 Ų65.73%0.03331%0.314CS..Hα-helixtrans-59.9-38.1175.300000112.3L34 H36 M41 R42 C43 V45 L48L34-A38 WeakPolarHBondContact O-CB 3.48Å; L34-A38 PolarHBondContact O-N 3.48Å; H36-A38 VanDerWaalsContact C-N 3.33Å; H36-A38 PolarHBondContact O-N 3.32Å; A38-M41 CarbonylContact O-C 3.48Å; A38-R42 WeakPolarHBondContact O-CA 3.32Å; A38-R42 PolarHBondContact O-N 3.03Å; A38-C43 WeakPolarHBondContact CB-O 3.18Å; A38-C43 PolarHBondContact O-N 3.17Å; A38-V45 HydrophobicContact CB-CG2 3.81Å; A38-L48 HydrophobicContact CB-CD1 3.77Å; A38-L48 HydrophobicContact CB-CG 4.37Å
39K91Very high91.4Very high166 Ų16661.3 Ų61.372%0.72229%0.29SS*.Hα-helixtrans-64.9-44.1174.9-69.9172.4-177.6179.60111.8E35 H36 M37 R42E35-K39 WeakPolarHBondContact O-CG 3.34Å; E35-K39 PolarHBondContact O-N 2.96Å; H36-K39 WeakPolarHBondContact O-CB 3.46Å; H36-K39 PolarHBondContact O-N 3.1Å; M37-K39 VanDerWaalsContact C-N 3.29Å; M37-K39 PolarHBondContact O-N 2.93Å; K39-R42 PolarHBondContact O-N 3.17Å
40L89.8Confident91.4Very high71 Ų7162.8 Ų62.837%0.37230%0.3SS..Hα-helixtrans-66.3-43.5178.9-64.8173.3000111.6L23 H36 M37 R42L23-L40 HydrophobicContact CB-CD1 4.46Å; L23-L40 HydrophobicContact CD2-CD1 4.2Å; L23-L40 WeakPolarHBondContact O-CD1 3.31Å; H36-L40 PolarHBondContact O-N 2.93Å; M37-L40 PolarHBondContact O-N 2.93Å; L40-R42 PolarHBondContact O-N 3.44Å
41M87.3Confident91.4Very high19 Ų1956 Ų569%0.09427%0.272CS..THydrogen-bonded Turntrans-83.53.6-179.6-61.8-58.6-76.100113.5M37 A38 C43 Y120 V123 A124 Q127M37-M41 HydrophobicContact CG-CG 3.98Å; M37-M41 WeakPolarHBondContact O-CB 3.16Å; M37-M41 VanDerWaalsContact O-CG 3.28Å; M37-M41 WeakPolarHBondContact O-CG 3.23Å; M37-M41 PolarHBondContact O-N 2.87Å; A38-M41 CarbonylContact O-C 3.48Å; M41-C43 VanDerWaalsContact C-N 3.29Å; M41-C43 PolarHBondContact O-N 3.42Å; M41-Y120 HydrophobicContact CE-CD2 4.44Å; M41-Y120 HydrophobicContact CE-CE2 4.18Å; M41-Y120 HydrophobicContact CG-CE2 4.39Å; M41-Y120 HydrophobicContact SD-CD2 3.81Å; M41-Y120 HydrophobicContact SD-CE2 3.24Å; M41-Y120 WeakPolarHBondContact SD-CE2 3.28Å; M41-V123 HydrophobicContact CE-CB 4.15Å; M41-V123 HydrophobicContact CE-CG1 3.65Å; M41-V123 HydrophobicContact CG-CG1 4.36Å; M41-A124 HydrophobicContact CE-CB 4.02Å; M41-Q127 PolarHBondContact O-NE2 2.97Å
42R85.7Confident91.4Very high219 Ų21951.8 Ų51.883%0.82625%0.254SS*.THydrogen-bonded Turntrans47.148179.2-55.1-178.7-170.1-983113.2A38 K39 L40A38-R42 WeakPolarHBondContact O-CA 3.32Å; A38-R42 PolarHBondContact O-N 3.03Å; K39-R42 PolarHBondContact O-N 3.17Å; L40-R42 PolarHBondContact O-N 3.44Å
43C85.4Confident91.3Very high22 Ų2254.1 Ų54.115%0.14927%0.266CS..SBendtrans-135175.4-18057.70000111.4A38 M41 E47 L48A38-C43 WeakPolarHBondContact CB-O 3.18Å; A38-C43 PolarHBondContact O-N 3.17Å; M41-C43 VanDerWaalsContact C-N 3.29Å; M41-C43 PolarHBondContact O-N 3.42Å; C43-E47 VanDerWaalsContact CB-OE2 3.31Å; C43-E47 WeakPolarHBondContact CB-OE2 3.38Å; C43-L48 VanDerWaalsContact SG-CD2 3.6Å
44K90.4Very high91.2Very high107 Ų10754.8 Ų54.847%0.46527%0.269SS..  trans-83.3146.9177.7-63.6177.2-170.4160.40110.7G46 E47 L48 Q134K44-G46 PolarHBondContact O-N 2.76Å; K44-E47 HydrophobicContact CB-CG 4.09Å; K44-E47 WeakPolarHBondContact CD-OE1 3.46Å; K44-E47 PolarHBondContact N-OE2 2.79Å; K44-E47 WeakPolarHBondContact O-CB 3.41Å; K44-E47 PolarHBondContact O-N 3.31Å; K44-L48 PolarHBondContact O-N 3.34Å; K44-Q134 VanDerWaalsContact CE-OE1 3.22Å
45V92.6Very high91Very high43 Ų4354.8 Ų54.826%0.26127%0.269SS..Hα-helixtrans-58.7-38.3175.6-175.90000111.4L34 E35 A38 E47 L48 E49L34-V45 HydrophobicContact CB-CG1 4.14Å; E35-V45 HydrophobicContact CB-CG2 4.35Å; E35-V45 HydrophobicContact CG-CG1 4.34Å; E35-V45 HydrophobicContact CG-CG2 4.1Å; A38-V45 HydrophobicContact CB-CG2 3.81Å; V45-E47 VanDerWaalsContact C-N 3.32Å; V45-E47 PolarHBondContact O-N 2.87Å; V45-L48 PolarHBondContact O-N 2.97Å; V45-L48 VanDerWaalsContact O-N 3.16Å; V45-E49 HydrophobicContact CG1-CG 4.44Å; V45-E49 WeakPolarHBondContact O-CG 3.44Å; V45-E49 PolarHBondContact O-N 3.4Å
46G90.9Very high90.8Very high35 Ų3555.1 Ų55.136%0.36127%0.268SS..Hα-helixtrans-60.8-37.717600000113.3K44 L48 E49 D50K44-G46 PolarHBondContact O-N 2.76Å; G46-L48 VanDerWaalsContact C-N 3.33Å; G46-L48 PolarHBondContact O-N 2.87Å; G46-E49 WeakPolarHBondContact O-CB 3.46Å; G46-E49 PolarHBondContact O-N 3.38Å; G46-D50 PolarHBondContact O-N 2.94Å; G46-D50 VanDerWaalsContact O-N 3.07Å
47E89.2Confident90.6Very high55 Ų5556.3 Ų56.326%0.25728%0.283SS..Hα-helixtrans-64.6-40.2175.3-66.4161.5-161.500110.7C43 K44 V45 D50 L51C43-E47 VanDerWaalsContact CB-OE2 3.31Å; C43-E47 WeakPolarHBondContact CB-OE2 3.38Å; K44-E47 HydrophobicContact CB-CG 4.09Å; K44-E47 WeakPolarHBondContact CD-OE1 3.46Å; K44-E47 PolarHBondContact N-OE2 2.79Å; K44-E47 WeakPolarHBondContact O-CB 3.41Å; K44-E47 PolarHBondContact O-N 3.31Å; V45-E47 VanDerWaalsContact C-N 3.32Å; V45-E47 PolarHBondContact O-N 2.87Å; E47-D50 PolarHBondContact O-N 2.82Å; E47-L51 WeakPolarHBondContact O-CB 3.14Å; E47-L51 VanDerWaalsContact O-CG 3.31Å; E47-L51 WeakPolarHBondContact O-CG 3.27Å; E47-L51 PolarHBondContact O-N 2.87Å
48L92.7Very high90.4Very high1 Ų157.2 Ų57.21%0.00529%0.288CS..Hα-helixtrans-69.3-33.5174.5-65.4-165.5000113.2L34 M37 A38 C43 K44 V45 G46 L51 Q52 V123L34-L48 HydrophobicContact CB-CB 4.44Å; L34-L48 HydrophobicContact CD1-CB 4.23Å; L34-L48 HydrophobicContact CD2-CB 4.22Å; L34-L48 HydrophobicContact CD2-CD1 4.4Å; M37-L48 HydrophobicContact CB-CD1 4.09Å; M37-L48 HydrophobicContact CE-CD1 4.12Å; M37-L48 HydrophobicContact CG-CD1 4.34Å; A38-L48 HydrophobicContact CB-CD1 3.77Å; A38-L48 HydrophobicContact CB-CG 4.37Å; C43-L48 VanDerWaalsContact SG-CD2 3.6Å; K44-L48 PolarHBondContact O-N 3.34Å; V45-L48 PolarHBondContact O-N 2.97Å; V45-L48 VanDerWaalsContact O-N 3.16Å; G46-L48 VanDerWaalsContact C-N 3.33Å; G46-L48 PolarHBondContact O-N 2.87Å; L48-L51 HydrophobicContact CD2-CD1 4.42Å; L48-Q52 WeakPolarHBondContact O-CB 3.27Å; L48-Q52 PolarHBondContact O-N 2.85Å; L48-V123 HydrophobicContact CD2-CB 4.37Å; L48-V123 HydrophobicContact CD2-CG1 3.57Å; L48-V123 HydrophobicContact CD2-CG2 3.79Å
49E93.2Very high90Very high31 Ų3157.1 Ų57.115%0.14529%0.288CS..Hα-helixtrans-62.6-43.7175-76.3-177.815900110.8K7 R8 L34 V45 G46 Q52 D53K7-E49 HydrophobicContact CG-CG 4.38Å; R8-E49 IonicContact CZ-OE1 3.4Å; R8-E49 IonicContact NE-OE1 2.77Å; R8-E49 PolarHBondContact NE-OE1 2.78Å; R8-E49 IonicContact NH2-OE1 3.2Å; R8-E49 PolarHBondContact NH2-OE1 2.97Å; L34-E49 HydrophobicContact CD1-CG 3.85Å; V45-E49 HydrophobicContact CG1-CG 4.44Å; V45-E49 WeakPolarHBondContact O-CG 3.44Å; V45-E49 PolarHBondContact O-N 3.4Å; G46-E49 WeakPolarHBondContact O-CB 3.46Å; G46-E49 PolarHBondContact O-N 3.38Å; E49-Q52 WeakPolarHBondContact O-CB 3.05Å; E49-Q52 PolarHBondContact O-N 2.89Å; E49-D53 PolarHBondContact O-N 3.35Å; E49-D53 VanDerWaalsContact O-N 3.08Å
50D91.1Very high89.6Confident107 Ų10756.3 Ų56.357%0.57228%0.284SS*.Hα-helixtrans-66.4-45.3176.8-67.5-28.2000111.5G46 E47 Q52 D53 V54G46-D50 PolarHBondContact O-N 2.94Å; G46-D50 VanDerWaalsContact O-N 3.07Å; E47-D50 PolarHBondContact O-N 2.82Å; D50-Q52 VanDerWaalsContact C-N 3.3Å; D50-Q52 PolarHBondContact O-N 2.83Å; D50-D53 PolarHBondContact O-N 2.63Å; D50-V54 WeakPolarHBondContact O-CG2 3.32Å; D50-V54 PolarHBondContact O-N 2.88Å; D50-V54 VanDerWaalsContact O-N 3.08Å
51L92Very high89.4Confident30 Ų3057.6 Ų57.616%0.15730%0.297CS..Hα-helixtrans-63.7-35.2175.2-70.5179.5000112.2E47 L48 V54 F55 F119 F122 V123 M126E47-L51 WeakPolarHBondContact O-CB 3.14Å; E47-L51 VanDerWaalsContact O-CG 3.31Å; E47-L51 WeakPolarHBondContact O-CG 3.27Å; E47-L51 PolarHBondContact O-N 2.87Å; L48-L51 HydrophobicContact CD2-CD1 4.42Å; L51-V54 PolarHBondContact O-N 2.86Å; L51-F55 VanDerWaalsContact O-CB 3.29Å; L51-F55 WeakPolarHBondContact O-CB 3.24Å; L51-F55 PolarHBondContact O-N 2.96Å; L51-F119 HydrophobicContact CB-CE2 4.38Å; L51-F122 HydrophobicContact CB-CE1 4.18Å; L51-F122 HydrophobicContact CD2-CE1 4.11Å; L51-F122 HydrophobicContact CD2-CZ 4.46Å; L51-V123 HydrophobicContact CD1-CB 4.48Å; L51-V123 HydrophobicContact CD1-CG1 4.26Å; L51-V123 HydrophobicContact CD1-CG2 4.09Å; L51-M126 HydrophobicContact CD1-CB 4.22Å; L51-M126 HydrophobicContact CD2-CB 3.93Å; L51-M126 HydrophobicContact CD2-CE 4.26Å; L51-M126 HydrophobicContact CD2-CG 3.91Å
52Q92.6Very high89.2Confident8 Ų861.3 Ų61.34%0.03732%0.322CS..Hα-helixtrans-62.5-47.3174.9-173.7-17245.500110.6K7 L9 I10 L34 L48 E49 D50 V54 F55 Y56 F119K7-Q52 VanDerWaalsContact CA-OE1 3.25Å; K7-Q52 PolarHBondContact O-OE1 2.88Å; L9-Q52 PolarHBondContact O-NE2 3.4Å; I10-Q52 HydrophobicContact CD1-CG 4Å; I10-Q52 VanDerWaalsContact CD1-NE2 3.28Å; L34-Q52 HydrophobicContact CD1-CB 4.41Å; L48-Q52 WeakPolarHBondContact O-CB 3.27Å; L48-Q52 PolarHBondContact O-N 2.85Å; E49-Q52 WeakPolarHBondContact O-CB 3.05Å; E49-Q52 PolarHBondContact O-N 2.89Å; D50-Q52 VanDerWaalsContact C-N 3.3Å; D50-Q52 PolarHBondContact O-N 2.83Å; Q52-V54 VanDerWaalsContact C-N 3.3Å; Q52-V54 PolarHBondContact O-N 2.94Å; Q52-F55 PolarHBondContact O-N 2.92Å; Q52-Y56 HydrophobicContact CG-CD2 3.63Å; Q52-Y56 HydrophobicContact CG-CE2 3.66Å; Q52-Y56 WeakPolarHBondContact O-CB 3.48Å; Q52-Y56 VanDerWaalsContact O-CD2 3.26Å; Q52-Y56 WeakPolarHBondContact O-CD2 3.2Å; Q52-Y56 PolarHBondContact O-N 3.4Å; Q52-F119 VanDerWaalsContact CA-CE2 3.5Å; Q52-F119 HydrophobicContact CB-CE2 4.1Å; Q52-F119 HydrophobicContact CB-CZ 3.75Å; Q52-F119 HydrophobicContact CG-CZ 4.35Å
53D91.2Very high89Confident52 Ų5251.1 Ų51.128%0.27829%0.285SS..Hα-helixtrans-60.7-41.6178.8-80.3-37.3000110.9R5 K7 E49 D50 S57R5-D53 IonicContact NH1-OD1 2.84Å; K7-D53 IonicContact NZ-OD2 2.77Å; K7-D53 PolarHBondContact NZ-OD2 3.26Å; E49-D53 PolarHBondContact O-N 3.35Å; E49-D53 VanDerWaalsContact O-N 3.08Å; D50-D53 PolarHBondContact O-N 2.63Å; D53-S57 WeakPolarHBondContact O-CB 3.36Å; D53-S57 PolarHBondContact O-N 2.79Å; D53-S57 VanDerWaalsContact O-N 3.08Å
54V90.9Very high89Confident49 Ų4951.1 Ų51.130%0.29729%0.287SS..Hα-helixtrans-62.2-53.2174.1174.60000111.2D50 L51 Q52 Y56 S57 L58 L74 F122D50-V54 WeakPolarHBondContact O-CG2 3.32Å; D50-V54 PolarHBondContact O-N 2.88Å; D50-V54 VanDerWaalsContact O-N 3.08Å; L51-V54 PolarHBondContact O-N 2.86Å; Q52-V54 VanDerWaalsContact C-N 3.3Å; Q52-V54 PolarHBondContact O-N 2.94Å; V54-Y56 VanDerWaalsContact C-N 3.35Å; V54-Y56 PolarHBondContact O-N 3.44Å; V54-S57 WeakPolarHBondContact O-CB 3.39Å; V54-S57 PolarHBondContact O-N 3.13Å; V54-S57 VanDerWaalsContact O-N 3.08Å; V54-S57 PolarHBondContact O-OG 2.94Å; V54-L58 HydrophobicContact CG1-CD1 3.77Å; V54-L58 HydrophobicContact CG1-CG 4.43Å; V54-L58 WeakPolarHBondContact O-CG 3.49Å; V54-L58 PolarHBondContact O-N 2.73Å; V54-L58 VanDerWaalsContact O-N 3.08Å; V54-L74 HydrophobicContact CG1-CD1 3.8Å; V54-L74 HydrophobicContact CG1-CD2 4.2Å; V54-F122 HydrophobicContact CG1-CZ 3.96Å
55F91.1Very high88.9Confident1 Ų148 Ų480%0.00428%0.278CS..Hα-helixtrans-57.5-46.6-178.4-178.6-93.9000112L51 Q52 S57 L58 G59 G63 L66 D118 F119 F122L51-F55 VanDerWaalsContact O-CB 3.29Å; L51-F55 WeakPolarHBondContact O-CB 3.24Å; L51-F55 PolarHBondContact O-N 2.96Å; Q52-F55 PolarHBondContact O-N 2.92Å; F55-S57 VanDerWaalsContact C-N 3.27Å; F55-S57 PolarHBondContact O-N 3.25Å; F55-L58 PolarHBondContact O-N 3.49Å; F55-G59 PolarHBondContact O-N 2.89Å; F55-G63 WeakPolarHBondContact CE1-O 3.27Å; F55-L66 HydrophobicContact CD2-CD1 3.56Å; F55-L66 HydrophobicContact CD2-CD2 4.23Å; F55-L66 HydrophobicContact CD2-CG 3.67Å; F55-L66 HydrophobicContact CE2-CD1 3.9Å; F55-L66 HydrophobicContact CE2-CD2 4.23Å; F55-L66 HydrophobicContact CE2-CG 3.52Å; F55-L66 HydrophobicContact CG-CD1 4.48Å; F55-L66 HydrophobicContact CZ-CG 4.3Å; F55-D118 WeakPolarHBondContact CE2-O 3.49Å; F55-F119 HydrophobicContact CB-CD2 3.67Å; F55-F119 HydrophobicContact CB-CE2 3.87Å; F55-F119 HydrophobicContact CD1-CB 4.23Å; F55-F119 AromaticContact CD1-CD2 3.78Å; F55-F119 HydrophobicContact CD1-CD2 3.78Å; F55-F119 HydrophobicContact CD1-CG 4.37Å; F55-F119 HydrophobicContact CD2-CB 4.5Å; F55-F119 AromaticContact CD2-CD2 3.88Å; F55-F119 HydrophobicContact CD2-CD2 3.88Å; F55-F119 HydrophobicContact CE1-CB 3.96Å; F55-F119 HydrophobicContact CE1-CD2 4.36Å; F55-F119 HydrophobicContact CE2-CB 4.22Å; F55-F119 HydrophobicContact CE2-CD2 4.43Å; F55-F119 HydrophobicContact CG-CB 4.5Å; F55-F119 AromaticContact CG-CD2 3.51Å; F55-F119 HydrophobicContact CG-CD2 3.51Å; F55-F119 HydrophobicContact CG-CE2 4.24Å; F55-F119 HydrophobicContact CG-CG 4.44Å; F55-F119 HydrophobicContact CZ-CB 3.97Å; F55-F122 HydrophobicContact CB-CD1 3.89Å; F55-F122 HydrophobicContact CB-CE1 3.87Å; F55-F122 HydrophobicContact CD2-CB 3.72Å; F55-F122 AromaticContact CD2-CD1 3.64Å; F55-F122 HydrophobicContact CD2-CD1 3.64Å; F55-F122 HydrophobicContact CD2-CD2 4.29Å; F55-F122 HydrophobicContact CD2-CE1 4.32Å; F55-F122 AromaticContact CD2-CG 3.61Å; F55-F122 HydrophobicContact CD2-CG 3.61Å; F55-F122 HydrophobicContact CE2-CB 3.9Å; F55-F122 HydrophobicContact CE2-CG 4.28Å; F55-F122 HydrophobicContact CG-CD1 4.2Å
56Y90.6Very high88.7Confident73 Ų7346 Ų4629%0.28627%0.265SS..Hα-helixtrans-66.4-29.5178.8-87.6-107.3000112.7I10 Q52 V54 P62I10-Y56 HydrophobicContact CD1-CE2 4.04Å; Q52-Y56 HydrophobicContact CG-CD2 3.63Å; Q52-Y56 HydrophobicContact CG-CE2 3.66Å; Q52-Y56 WeakPolarHBondContact O-CB 3.48Å; Q52-Y56 VanDerWaalsContact O-CD2 3.26Å; Q52-Y56 WeakPolarHBondContact O-CD2 3.2Å; Q52-Y56 PolarHBondContact O-N 3.4Å; V54-Y56 VanDerWaalsContact C-N 3.35Å; V54-Y56 PolarHBondContact O-N 3.44Å; Y56-P62 HydrophobicContact CD1-CB 4.15Å; Y56-P62 WeakPolarHBondContact O-CA 3.37Å; Y56-P62 WeakPolarHBondContact O-CB 3.4Å
57S88.5Confident88.6Confident89 Ų8947.2 Ų47.262%0.62227%0.266SS*.Hα-helixtrans-72.7-32.2175.379.50000113.1D53 V54 F55D53-S57 WeakPolarHBondContact O-CB 3.36Å; D53-S57 PolarHBondContact O-N 2.79Å; D53-S57 VanDerWaalsContact O-N 3.08Å; V54-S57 WeakPolarHBondContact O-CB 3.39Å; V54-S57 PolarHBondContact O-N 3.13Å; V54-S57 VanDerWaalsContact O-N 3.08Å; V54-S57 PolarHBondContact O-OG 2.94Å; F55-S57 VanDerWaalsContact C-N 3.27Å; F55-S57 PolarHBondContact O-N 3.25Å
58L89.4Confident88.4Confident19 Ų1945.9 Ų45.910%0.09926%0.258CS..Hα-helixtrans-82.2-38.4-178.9-68.4169.9000112.2V54 F55 L66 R70 L74V54-L58 HydrophobicContact CG1-CD1 3.77Å; V54-L58 HydrophobicContact CG1-CG 4.43Å; V54-L58 WeakPolarHBondContact O-CG 3.49Å; V54-L58 PolarHBondContact O-N 2.73Å; V54-L58 VanDerWaalsContact O-N 3.08Å; F55-L58 PolarHBondContact O-N 3.49Å; L58-L66 HydrophobicContact CB-CD1 4.2Å; L58-L66 HydrophobicContact CB-CD2 3.58Å; L58-L66 HydrophobicContact CD1-CD1 3.97Å; L58-R70 HydrophobicContact CB-CB 4.46Å; L58-R70 WeakPolarHBondContact O-CD 3.43Å; L58-R70 PolarHBondContact O-NE 3.48Å; L58-L74 HydrophobicContact CD1-CB 3.85Å; L58-L74 HydrophobicContact CD1-CD1 4.25Å; L58-L74 HydrophobicContact CD1-CD2 3.95Å; L58-L74 HydrophobicContact CD1-CG 4.23Å; L58-L74 HydrophobicContact CD2-CB 4.3Å
59G85.3Confident88.1Confident3 Ų350.1 Ų50.13%0.03128%0.284CS..SBendtrans-64.1138.8-178.900000112.6F55 P61 P62 L66F55-G59 PolarHBondContact O-N 2.89Å; G59-P61 VanDerWaalsContact C-C 3.5Å; G59-P61 CarbonylContact C-O 3.26Å; G59-P61 CarbonylContact O-C 3.19Å; G59-P61 VanDerWaalsContact O-C 3.26Å; G59-P62 WeakPolarHBondContact O-CA 3.32Å; G59-L66 VanDerWaalsContact N-CD2 3.34Å
60K82.5Confident87.9Confident149 Ų14951.4 Ų51.465%0.64829%0.288SS*.SBendtrans-128.5109.2171.5-61.5-156.9-171.9-178.40110.4R70K60-R70 VanDerWaalsContact CE-CZ 3.49Å; K60-R70 VanDerWaalsContact CE-NH2 3.25Å
61P84.7Confident87.7Confident98 Ų9846.3 Ų46.364%0.63626%0.261SS*.SBendcis-63.3164.9-2.929.6-36.6000112.7G59 G63 A64G59-P61 VanDerWaalsContact C-C 3.5Å; G59-P61 CarbonylContact C-O 3.26Å; G59-P61 CarbonylContact O-C 3.19Å; G59-P61 VanDerWaalsContact O-C 3.26Å; P61-G63 PolarHBondContact O-N 2.74Å; P61-A64 HydrophobicContact CG-CB 4.22Å; P61-A64 WeakPolarHBondContact O-CB 3.41Å; P61-A64 PolarHBondContact O-N 2.74Å
62P83.2Confident87.5Confident97 Ų9747.1 Ų47.163%0.6326%0.264SS*.THydrogen-bonded Turntrans-50.3129.6178.1-29.336.3000112.4Y56 G59 A64Y56-P62 HydrophobicContact CD1-CB 4.15Å; Y56-P62 WeakPolarHBondContact O-CA 3.37Å; Y56-P62 WeakPolarHBondContact O-CB 3.4Å; G59-P62 WeakPolarHBondContact O-CA 3.32Å; P62-A64 VanDerWaalsContact C-N 3.29Å
63G80.9Confident87.2Confident5 Ų550.7 Ų50.75%0.05228%0.281CS..THydrogen-bonded Turntrans811.1-17700000114.9A14 F55 P61A14-G63 WeakPolarHBondContact CB-O 3.44Å; F55-G63 WeakPolarHBondContact CE1-O 3.27Å; P61-G63 PolarHBondContact O-N 2.74Å
64A85.1Confident87.1Confident21 Ų2148.8 Ų48.817%0.17427%0.271CS..SBendtrans-67.3149.9167.900000110.8P61 P62 L66P61-A64 HydrophobicContact CG-CB 4.22Å; P61-A64 WeakPolarHBondContact O-CB 3.41Å; P61-A64 PolarHBondContact O-N 2.74Å; P62-A64 VanDerWaalsContact C-N 3.29Å; A64-L66 PolarHBondContact O-N 3.42Å
65P88Confident86.9Confident43 Ų4347 Ų4728%0.27926%0.258SS..PPolyproline II helixtrans-49.6137.8171.6-29.336.6000112.5T116 I117P65-T116 VanDerWaalsContact CB-CB 3.46Å; P65-T116 HydrophobicContact CB-CG2 4.06Å; P65-T116 WeakPolarHBondContact CB-OG1 3.27Å; P65-I117 CarbonylContact C-O 3.6Å; P65-I117 VanDerWaalsContact CA-O 3.28Å; P65-I117 WeakPolarHBondContact CA-O 3.34Å
66L89.3Confident86.5Confident0 Ų054.4 Ų54.40%029%0.293CS..EExtended strand (participates in β ladder)trans-82.5135-175.4-57.3-176.2000110.7F55 L58 G59 A64 R70 T116 I117 F122F55-L66 HydrophobicContact CD2-CD1 3.56Å; F55-L66 HydrophobicContact CD2-CD2 4.23Å; F55-L66 HydrophobicContact CD2-CG 3.67Å; F55-L66 HydrophobicContact CE2-CD1 3.9Å; F55-L66 HydrophobicContact CE2-CD2 4.23Å; F55-L66 HydrophobicContact CE2-CG 3.52Å; F55-L66 HydrophobicContact CG-CD1 4.48Å; F55-L66 HydrophobicContact CZ-CG 4.3Å; L58-L66 HydrophobicContact CB-CD1 4.2Å; L58-L66 HydrophobicContact CB-CD2 3.58Å; L58-L66 HydrophobicContact CD1-CD1 3.97Å; G59-L66 VanDerWaalsContact N-CD2 3.34Å; A64-L66 PolarHBondContact O-N 3.42Å; L66-R70 HydrophobicContact CB-CB 4.25Å; L66-R70 HydrophobicContact CD2-CB 4.3Å; L66-T116 CarbonylContact O-C 3.58Å; L66-T116 WeakPolarHBondContact O-CA 3.3Å; L66-I117 HydrophobicContact CB-CG1 3.94Å; L66-I117 PolarHBondContact N-O 3.01Å; L66-I117 PolarHBondContact O-N 3.23Å; L66-F122 HydrophobicContact CD1-CD2 3.7Å; L66-F122 HydrophobicContact CD1-CE2 3.94Å; L66-F122 HydrophobicContact CD1-CG 4.27Å
67T88.2Confident86.3Confident60 Ų6056.4 Ų56.437%0.36831%0.313SS..EExtended strand (participates in β ladder)trans-85164.4169.565.10000110.9T69 R70 L71 F91 T116T67-T69 PolarHBondContact O-N 2.97Å; T67-T69 VanDerWaalsContact O-N 3.16Å; T67-R70 WeakPolarHBondContact O-CA 3.2Å; T67-R70 WeakPolarHBondContact O-CB 3.45Å; T67-R70 PolarHBondContact O-N 3.11Å; T67-L71 PolarHBondContact O-N 2.9Å; T67-L71 VanDerWaalsContact O-N 3.13Å; T67-F91 VanDerWaalsContact C-CZ 3.49Å; T67-T116 HydrophobicContact CG2-CG2 4.1Å
68R85.3Confident86.1Confident28 Ų2856.4 Ų56.411%0.10631%0.305CS..Hα-helixtrans-49.9-39.9172.9-70.1-178.5171.8159.35.7113.4R70 L71 M72 V87 F91 E115R68-R70 VanDerWaalsContact C-N 3.28Å; R68-R70 PolarHBondContact O-N 2.86Å; R68-L71 PolarHBondContact O-N 3.07Å; R68-M72 WeakPolarHBondContact O-CB 3.31Å; R68-M72 PolarHBondContact O-N 3.31Å; R68-V87 HydrophobicContact CB-CG1 4.07Å; R68-V87 HydrophobicContact CG-CG1 4.24Å; R68-F91 HydrophobicContact CB-CE2 4.4Å; R68-F91 HydrophobicContact CB-CZ 4.45Å; R68-F91 HydrophobicContact CG-CD1 4.06Å; R68-F91 HydrophobicContact CG-CD2 3.97Å; R68-F91 HydrophobicContact CG-CE1 4.04Å; R68-F91 HydrophobicContact CG-CE2 3.92Å; R68-F91 HydrophobicContact CG-CG 4.04Å; R68-F91 HydrophobicContact CG-CZ 3.99Å; R68-E115 IonicContact CZ-OE1 3.36Å; R68-E115 IonicContact CZ-OE2 2.82Å; R68-E115 IonicContact NE-OE1 2.79Å; R68-E115 IonicContact NE-OE2 2.65Å; R68-E115 PolarHBondContact NE-OE2 2.99Å; R68-E115 IonicContact NH1-OE1 2.67Å; R68-E115 PolarHBondContact NH1-OE1 3.13Å; R68-E115 IonicContact NH1-OE2 3.41Å; R68-E115 PolarHBondContact NH1-OE2 3.38Å; R68-E115 IonicContact NH2-OE1 2.96Å; R68-E115 PolarHBondContact NH2-OE1 3.46Å; R68-E115 IonicContact NH2-OE2 2.88Å; R68-E115 PolarHBondContact NH2-OE2 2.85Å
69T86Confident85.8Confident90 Ų9058.8 Ų58.855%0.55234%0.335SS*.Hα-helixtrans-61.2-36.9177-47.40000112.3T67 Q73T67-T69 PolarHBondContact O-N 2.97Å; T67-T69 VanDerWaalsContact O-N 3.16Å; T69-Q73 VanDerWaalsContact O-CG 3.31Å; T69-Q73 WeakPolarHBondContact O-CG 3.38Å; T69-Q73 PolarHBondContact O-N 3.42Å; T69-Q73 VanDerWaalsContact O-N 3.09Å
70R89.4Confident85.6Confident58 Ų5861.3 Ų61.322%0.21935%0.347CS..Hα-helixtrans-72.6-40.5178-65.8-57.8-177.2-158.6-14.8112L58 K60 L66 T67 R68 M72 Q73 L74L58-R70 HydrophobicContact CB-CB 4.46Å; L58-R70 WeakPolarHBondContact O-CD 3.43Å; L58-R70 PolarHBondContact O-NE 3.48Å; K60-R70 VanDerWaalsContact CE-CZ 3.49Å; K60-R70 VanDerWaalsContact CE-NH2 3.25Å; L66-R70 HydrophobicContact CB-CB 4.25Å; L66-R70 HydrophobicContact CD2-CB 4.3Å; T67-R70 WeakPolarHBondContact O-CA 3.2Å; T67-R70 WeakPolarHBondContact O-CB 3.45Å; T67-R70 PolarHBondContact O-N 3.11Å; R68-R70 VanDerWaalsContact C-N 3.28Å; R68-R70 PolarHBondContact O-N 2.86Å; R70-M72 VanDerWaalsContact C-N 3.35Å; R70-Q73 WeakPolarHBondContact O-CB 3.36Å; R70-Q73 PolarHBondContact O-N 2.96Å; R70-L74 PolarHBondContact O-N 3.11Å
71L87.6Confident85.4Confident0 Ų063.4 Ų63.40%036%0.359CS..Hα-helixtrans-64.9-41.4173.9-173.570.4000111.5T67 R68 Q73 L74 Y75 V87 F91 F122 L125T67-L71 PolarHBondContact O-N 2.9Å; T67-L71 VanDerWaalsContact O-N 3.13Å; R68-L71 PolarHBondContact O-N 3.07Å; L71-Q73 VanDerWaalsContact C-N 3.26Å; L71-Q73 PolarHBondContact O-N 3.34Å; L71-L74 HydrophobicContact CD1-CD2 4.19Å; L71-L74 WeakPolarHBondContact O-CA 3.29Å; L71-L74 WeakPolarHBondContact O-CB 3.46Å; L71-L74 PolarHBondContact O-N 2.89Å; L71-Y75 HydrophobicContact CD1-CE1 4.06Å; L71-Y75 HydrophobicContact CD2-CE2 4.01Å; L71-Y75 HydrophobicContact CG-CD2 4.46Å; L71-Y75 HydrophobicContact CG-CE1 4.24Å; L71-Y75 HydrophobicContact CG-CE2 4.09Å; L71-Y75 PolarHBondContact O-N 3.4Å; L71-V87 HydrophobicContact CD2-CG1 4.26Å; L71-F91 HydrophobicContact CB-CE2 3.69Å; L71-F91 HydrophobicContact CB-CZ 4.29Å; L71-F91 HydrophobicContact CD2-CD2 3.76Å; L71-F91 HydrophobicContact CD2-CE2 3.39Å; L71-F91 HydrophobicContact CG-CE2 4.16Å; L71-F122 HydrophobicContact CD1-CE2 4.5Å; L71-L125 HydrophobicContact CD1-CD2 3.72Å; L71-L125 HydrophobicContact CD2-CD2 3.43Å; L71-L125 VanDerWaalsContact CD2-CD2 3.43Å; L71-L125 HydrophobicContact CG-CD2 4.24Å
72M86.7Confident85.2Confident47 Ų4759.7 Ų59.723%0.23234%0.337CS..Hα-helixtrans-58.8-39.7175.1-174.562.481.900111.8R68 R70 L74 Y75 H76 M84 V87R68-M72 WeakPolarHBondContact O-CB 3.31Å; R68-M72 PolarHBondContact O-N 3.31Å; R70-M72 VanDerWaalsContact C-N 3.35Å; M72-L74 VanDerWaalsContact C-N 3.34Å; M72-Y75 PolarHBondContact O-N 2.93Å; M72-H76 PolarHBondContact O-N 3.12Å; M72-M84 HydrophobicContact CE-CG 3.91Å; M72-M84 HydrophobicContact CE-SD 3.54Å; M72-M84 VanDerWaalsContact CE-SD 3.54Å; M72-V87 HydrophobicContact CE-CB 4.07Å; M72-V87 HydrophobicContact CE-CG2 3.44Å; M72-V87 VanDerWaalsContact CE-CG2 3.44Å; M72-V87 HydrophobicContact SD-CG2 3.96Å
73Q87.7Confident85Confident82 Ų8257.5 Ų57.538%0.38332%0.324SS..Hα-helixtrans-63.2-39.3173.6-75.8170.4-400112.4T69 R70 L71 H76 T77T69-Q73 VanDerWaalsContact O-CG 3.31Å; T69-Q73 WeakPolarHBondContact O-CG 3.38Å; T69-Q73 PolarHBondContact O-N 3.42Å; T69-Q73 VanDerWaalsContact O-N 3.09Å; R70-Q73 WeakPolarHBondContact O-CB 3.36Å; R70-Q73 PolarHBondContact O-N 2.96Å; L71-Q73 VanDerWaalsContact C-N 3.26Å; L71-Q73 PolarHBondContact O-N 3.34Å; Q73-H76 PolarHBondContact O-N 3.35Å; Q73-T77 WeakPolarHBondContact O-CB 2.95Å; Q73-T77 PolarHBondContact O-N 3.47Å; Q73-T77 PolarHBondContact O-OG1 2.93Å
74L88.6Confident84.8Confident12 Ų1262.3 Ų62.36%0.06335%0.346CS..Hα-helixtrans-60.9-50.1173.9177.561.5000110.9V54 L58 R70 L71 M72 H76 T77 L78 F122 M126V54-L74 HydrophobicContact CG1-CD1 3.8Å; V54-L74 HydrophobicContact CG1-CD2 4.2Å; L58-L74 HydrophobicContact CD1-CB 3.85Å; L58-L74 HydrophobicContact CD1-CD1 4.25Å; L58-L74 HydrophobicContact CD1-CD2 3.95Å; L58-L74 HydrophobicContact CD1-CG 4.23Å; L58-L74 HydrophobicContact CD2-CB 4.3Å; R70-L74 PolarHBondContact O-N 3.11Å; L71-L74 HydrophobicContact CD1-CD2 4.19Å; L71-L74 WeakPolarHBondContact O-CA 3.29Å; L71-L74 WeakPolarHBondContact O-CB 3.46Å; L71-L74 PolarHBondContact O-N 2.89Å; M72-L74 VanDerWaalsContact C-N 3.34Å; L74-H76 VanDerWaalsContact C-N 3.33Å; L74-H76 PolarHBondContact O-N 3.32Å; L74-T77 WeakPolarHBondContact O-CB 3.01Å; L74-T77 PolarHBondContact O-N 3.49Å; L74-L78 HydrophobicContact CD1-CD1 3.93Å; L74-L78 HydrophobicContact CD1-CG 4.05Å; L74-L78 HydrophobicContact CG-CD1 3.94Å; L74-L78 HydrophobicContact CG-CG 4.41Å; L74-L78 WeakPolarHBondContact O-CG 3.49Å; L74-L78 PolarHBondContact O-N 3.49Å; L74-F122 HydrophobicContact CD2-CE2 3.79Å; L74-F122 HydrophobicContact CD2-CZ 4.04Å; L74-M126 HydrophobicContact CD2-CE 4.24Å; L74-M126 HydrophobicContact CD2-SD 3.92Å
75Y86.4Confident84.5Confident11 Ų1165 Ų654%0.04336%0.362CS..Hα-helixtrans-57.6-45.2178.2-70.1-14.4000112.2L71 M72 T77 L78 G79 I80 A82 V87 F130L71-Y75 HydrophobicContact CD1-CE1 4.06Å; L71-Y75 HydrophobicContact CD2-CE2 4.01Å; L71-Y75 HydrophobicContact CG-CD2 4.46Å; L71-Y75 HydrophobicContact CG-CE1 4.24Å; L71-Y75 HydrophobicContact CG-CE2 4.09Å; L71-Y75 PolarHBondContact O-N 3.4Å; M72-Y75 PolarHBondContact O-N 2.93Å; Y75-T77 VanDerWaalsContact C-N 3.31Å; Y75-T77 PolarHBondContact O-N 3.1Å; Y75-L78 CarbonylContact O-C 3.54Å; Y75-L78 PolarHBondContact O-N 2.99Å; Y75-G79 PolarHBondContact O-N 3.13Å; Y75-I80 CarbonylContact C-O 3.6Å; Y75-I80 HydrophobicContact CD1-CD1 4.2Å; Y75-I80 WeakPolarHBondContact O-CB 3.42Å; Y75-I80 PolarHBondContact O-N 2.81Å; Y75-A82 HydrophobicContact CD2-CB 3.28Å; Y75-A82 HydrophobicContact CE2-CB 3.93Å; Y75-A82 HydrophobicContact CG-CB 4.03Å; Y75-V87 HydrophobicContact CD2-CG2 3.62Å; Y75-V87 HydrophobicContact CE2-CG2 3.68Å; Y75-F130 HydrophobicContact CD1-CE2 4.42Å; Y75-F130 HydrophobicContact CD1-CZ 4.26Å; Y75-F130 AromaticContact CE1-CE2 3.74Å; Y75-F130 HydrophobicContact CE1-CE2 3.74Å; Y75-F130 AromaticContact CE1-CZ 3.86Å; Y75-F130 HydrophobicContact CE1-CZ 3.86Å
76H83.7Confident83.9Confident158 Ų15868.1 Ų68.173%0.73137%0.373SS*.Hα-helixtrans-60.4-40.9174.6-172.264000112.7M72 Q73 L74 L78 G79M72-H76 PolarHBondContact O-N 3.12Å; Q73-H76 PolarHBondContact O-N 3.35Å; L74-H76 VanDerWaalsContact C-N 3.33Å; L74-H76 PolarHBondContact O-N 3.32Å; H76-L78 VanDerWaalsContact C-N 3.29Å; H76-L78 PolarHBondContact O-N 3.26Å; H76-G79 PolarHBondContact O-N 2.93Å; H76-G79 VanDerWaalsContact O-N 3.07Å
77T86Confident83.6Confident114 Ų11468.1 Ų68.170%0.69937%0.373SS*.Hα-helixtrans-64.9-34.3178.2-56.40000112Q73 L74 Y75 G79Q73-T77 WeakPolarHBondContact O-CB 2.95Å; Q73-T77 PolarHBondContact O-N 3.47Å; Q73-T77 PolarHBondContact O-OG1 2.93Å; L74-T77 WeakPolarHBondContact O-CB 3.01Å; L74-T77 PolarHBondContact O-N 3.49Å; Y75-T77 VanDerWaalsContact C-N 3.31Å; Y75-T77 PolarHBondContact O-N 3.1Å; T77-G79 PolarHBondContact O-N 3.42Å
78L84.3Confident83.3Confident89 Ų8970.3 Ų70.347%0.46637%0.374SS..THydrogen-bonded Turntrans-80.90.5175.6-63.7176000113.1L74 Y75 H76 I80L74-L78 HydrophobicContact CD1-CD1 3.93Å; L74-L78 HydrophobicContact CD1-CG 4.05Å; L74-L78 HydrophobicContact CG-CD1 3.94Å; L74-L78 HydrophobicContact CG-CG 4.41Å; L74-L78 WeakPolarHBondContact O-CG 3.49Å; L74-L78 PolarHBondContact O-N 3.49Å; Y75-L78 CarbonylContact O-C 3.54Å; Y75-L78 PolarHBondContact O-N 2.99Å; H76-L78 VanDerWaalsContact C-N 3.29Å; H76-L78 PolarHBondContact O-N 3.26Å; L78-I80 VanDerWaalsContact C-N 3.26Å; L78-I80 HydrophobicContact CB-CD1 3.64Å; L78-I80 HydrophobicContact CB-CG1 3.85Å; L78-I80 HydrophobicContact CD1-CD1 3.92Å; L78-I80 HydrophobicContact CG-CD1 4.45Å; L78-I80 PolarHBondContact O-N 3.33Å
79G82.6Confident83Confident70 Ų7070.7 Ų70.772%0.72238%0.383SS*.THydrogen-bonded Turntrans73.516.6-176.500000114Y75 H76 T77Y75-G79 PolarHBondContact O-N 3.13Å; H76-G79 PolarHBondContact O-N 2.93Å; H76-G79 VanDerWaalsContact O-N 3.07Å; T77-G79 PolarHBondContact O-N 3.42Å
80I82.2Confident82.6Confident56 Ų5666.4 Ų66.429%0.28736%0.357SS..  trans-89.4118.5-177.7-56.9169.1000108.5Y75 L78 A82 F130Y75-I80 CarbonylContact C-O 3.6Å; Y75-I80 HydrophobicContact CD1-CD1 4.2Å; Y75-I80 WeakPolarHBondContact O-CB 3.42Å; Y75-I80 PolarHBondContact O-N 2.81Å; L78-I80 VanDerWaalsContact C-N 3.26Å; L78-I80 HydrophobicContact CB-CD1 3.64Å; L78-I80 HydrophobicContact CB-CG1 3.85Å; L78-I80 HydrophobicContact CD1-CD1 3.92Å; L78-I80 HydrophobicContact CG-CD1 4.45Å; L78-I80 PolarHBondContact O-N 3.33Å; I80-A82 VanDerWaalsContact C-N 3.29Å; I80-A82 HydrophobicContact CG2-CB 4.38Å; I80-A82 PolarHBondContact O-N 2.85Å; I80-F130 HydrophobicContact CD1-CD1 4.28Å; I80-F130 HydrophobicContact CD1-CE1 3.15Å; I80-F130 HydrophobicContact CD1-CE2 4.26Å; I80-F130 HydrophobicContact CD1-CZ 3.14Å; I80-F130 HydrophobicContact CG1-CE1 4.35Å
81Q78.2Confident82.2Confident192 Ų19263.8 Ų63.890%0.89735%0.347SS*.  trans-80.579.7173.8-171.5175.7-16.100109.7
82A79.7Confident81.8Confident20 Ų2067.9 Ų67.917%0.16537%0.366CS..  trans-93.2135.717300000111.1Y75 I80 V87Y75-A82 HydrophobicContact CD2-CB 3.28Å; Y75-A82 HydrophobicContact CE2-CB 3.93Å; Y75-A82 HydrophobicContact CG-CB 4.03Å; I80-A82 VanDerWaalsContact C-N 3.29Å; I80-A82 HydrophobicContact CG2-CB 4.38Å; I80-A82 PolarHBondContact O-N 2.85Å; A82-V87 HydrophobicContact CB-CG2 4.11Å
83S80.1Confident81.3Confident52 Ų5270.9 Ų70.936%0.36438%0.379SS..  trans-84.4158.4170.768.60000111.1P85 E86 V87S83-P85 VanDerWaalsContact C-N 3.33Å; S83-E86 WeakPolarHBondContact CB-OE2 3.3Å; S83-E86 PolarHBondContact N-OE2 3.44Å; S83-E86 PolarHBondContact O-N 3.33Å; S83-E86 VanDerWaalsContact O-N 3.11Å; S83-E86 VanDerWaalsContact OG-CD 3.31Å; S83-E86 WeakPolarHBondContact OG-CG 3.29Å; S83-E86 PolarHBondContact OG-N 3.1Å; S83-E86 PolarHBondContact OG-OE2 2.99Å; S83-V87 PolarHBondContact O-N 3.38Å
84M76.7Confident80.9Confident106 Ų10668 Ų6852%0.52237%0.367SS..Hα-helixtrans-56.6-39.5174.4-80.5-64.9-6500113.4M72 E86 V87 R88M72-M84 HydrophobicContact CE-CG 3.91Å; M72-M84 HydrophobicContact CE-SD 3.54Å; M72-M84 VanDerWaalsContact CE-SD 3.54Å; M84-E86 PolarHBondContact O-N 3.32Å; M84-V87 PolarHBondContact O-N 3.41Å; M84-R88 VanDerWaalsContact O-CB 3.3Å; M84-R88 WeakPolarHBondContact O-CB 3.39Å; M84-R88 PolarHBondContact O-N 3.46Å
85P77.1Confident80.4Confident76 Ų7668.6 Ų68.649%0.49437%0.373SS..Hα-helixtrans-58.5-40.4171.8-28.136.7000114.2S83 R88 A89S83-P85 VanDerWaalsContact C-N 3.33Å; P85-R88 PolarHBondContact O-N 2.99Å; P85-A89 WeakPolarHBondContact O-CB 3.46Å; P85-A89 PolarHBondContact O-N 2.92Å
86E77Confident79.6Confident110 Ų11070.6 Ų70.651%0.51439%0.389SS..Hα-helixtrans-70.1-41177.9-71163139.700112S83 M84 R88 A89 G90S83-E86 WeakPolarHBondContact CB-OE2 3.3Å; S83-E86 PolarHBondContact N-OE2 3.44Å; S83-E86 PolarHBondContact O-N 3.33Å; S83-E86 VanDerWaalsContact O-N 3.11Å; S83-E86 VanDerWaalsContact OG-CD 3.31Å; S83-E86 WeakPolarHBondContact OG-CG 3.29Å; S83-E86 PolarHBondContact OG-N 3.1Å; S83-E86 PolarHBondContact OG-OE2 2.99Å; M84-E86 PolarHBondContact O-N 3.32Å; E86-R88 VanDerWaalsContact C-N 3.32Å; E86-R88 PolarHBondContact O-N 3.1Å; E86-A89 PolarHBondContact O-N 2.9Å; E86-G90 PolarHBondContact O-N 2.87Å
87V82.5Confident78.7Confident0 Ų066 Ų660%037%0.369CS..Hα-helixtrans-61-43.5172.8165.50000110.9R68 L71 M72 Y75 A82 S83 M84 G90 F91R68-V87 HydrophobicContact CB-CG1 4.07Å; R68-V87 HydrophobicContact CG-CG1 4.24Å; L71-V87 HydrophobicContact CD2-CG1 4.26Å; M72-V87 HydrophobicContact CE-CB 4.07Å; M72-V87 HydrophobicContact CE-CG2 3.44Å; M72-V87 VanDerWaalsContact CE-CG2 3.44Å; M72-V87 HydrophobicContact SD-CG2 3.96Å; Y75-V87 HydrophobicContact CD2-CG2 3.62Å; Y75-V87 HydrophobicContact CE2-CG2 3.68Å; A82-V87 HydrophobicContact CB-CG2 4.11Å; S83-V87 PolarHBondContact O-N 3.38Å; M84-V87 PolarHBondContact O-N 3.41Å; V87-G90 PolarHBondContact O-N 3.5Å; V87-F91 HydrophobicContact CG1-CD2 4.32Å; V87-F91 HydrophobicContact CG1-CE2 4.39Å; V87-F91 WeakPolarHBondContact O-CD2 3.45Å; V87-F91 PolarHBondContact O-N 3.44Å; V87-F91 VanDerWaalsContact O-N 3.07Å
88R81.1Confident77.2Confident106 Ų10663.7 Ų63.740%0.437%0.368SS..Hα-helixtrans-61.6-49.3176.2171.917473174.85.4111.4M84 P85 E86 G90 F91 E92M84-R88 VanDerWaalsContact O-CB 3.3Å; M84-R88 WeakPolarHBondContact O-CB 3.39Å; M84-R88 PolarHBondContact O-N 3.46Å; P85-R88 PolarHBondContact O-N 2.99Å; E86-R88 VanDerWaalsContact C-N 3.32Å; E86-R88 PolarHBondContact O-N 3.1Å; R88-G90 VanDerWaalsContact C-N 3.3Å; R88-G90 PolarHBondContact O-N 2.93Å; R88-F91 WeakPolarHBondContact O-CB 3.34Å; R88-F91 PolarHBondContact O-N 3.01Å; R88-F91 VanDerWaalsContact O-N 3.13Å; R88-E92 VanDerWaalsContact CD-OE1 3.31Å; R88-E92 WeakPolarHBondContact CD-OE1 3.09Å; R88-E92 HydrophobicContact CG-CG 4.35Å; R88-E92 WeakPolarHBondContact CG-OE1 3.34Å; R88-E92 IonicContact NE-OE1 2.63Å; R88-E92 WeakPolarHBondContact O-CG 3.23Å; R88-E92 PolarHBondContact O-N 2.82Å
89A78.5Confident75.7Confident35 Ų3569.3 Ų69.329%0.28939%0.389SS..Hα-helixtrans-57.9-44178.100000111.1P85 E86 F91 E92 E93P85-A89 WeakPolarHBondContact O-CB 3.46Å; P85-A89 PolarHBondContact O-N 2.92Å; E86-A89 PolarHBondContact O-N 2.9Å; A89-F91 VanDerWaalsContact C-N 3.34Å; A89-F91 PolarHBondContact O-N 3.41Å; A89-E92 PolarHBondContact O-N 3.36Å; A89-E92 VanDerWaalsContact O-N 3.14Å; A89-E93 WeakPolarHBondContact O-CB 3.44Å; A89-E93 VanDerWaalsContact O-CG 3.24Å; A89-E93 WeakPolarHBondContact O-CG 3.45Å; A89-E93 PolarHBondContact O-N 2.66Å
90G78Confident74.1Confident0 Ų071 Ų710%038%0.381CS..Hα-helixtrans-59.4-40.3175.200000113.5E86 V87 R88 V94E86-G90 PolarHBondContact O-N 2.87Å; V87-G90 PolarHBondContact O-N 3.5Å; R88-G90 VanDerWaalsContact C-N 3.3Å; R88-G90 PolarHBondContact O-N 2.93Å; G90-V94 WeakPolarHBondContact O-CG2 3.43Å; G90-V94 PolarHBondContact O-N 2.8Å
91F81.2Confident72.4Confident4 Ų472.6 Ų72.62%0.01839%0.394CS..Hα-helixtrans-64.1-45.4172.9-94.4-112.2000111.9T67 R68 L71 V87 R88 A89 E93 V94 S95 E115 I117T67-F91 VanDerWaalsContact C-CZ 3.49Å; R68-F91 HydrophobicContact CB-CE2 4.4Å; R68-F91 HydrophobicContact CB-CZ 4.45Å; R68-F91 HydrophobicContact CG-CD1 4.06Å; R68-F91 HydrophobicContact CG-CD2 3.97Å; R68-F91 HydrophobicContact CG-CE1 4.04Å; R68-F91 HydrophobicContact CG-CE2 3.92Å; R68-F91 HydrophobicContact CG-CG 4.04Å; R68-F91 HydrophobicContact CG-CZ 3.99Å; L71-F91 HydrophobicContact CB-CE2 3.69Å; L71-F91 HydrophobicContact CB-CZ 4.29Å; L71-F91 HydrophobicContact CD2-CD2 3.76Å; L71-F91 HydrophobicContact CD2-CE2 3.39Å; L71-F91 HydrophobicContact CG-CE2 4.16Å; V87-F91 HydrophobicContact CG1-CD2 4.32Å; V87-F91 HydrophobicContact CG1-CE2 4.39Å; V87-F91 WeakPolarHBondContact O-CD2 3.45Å; V87-F91 PolarHBondContact O-N 3.44Å; V87-F91 VanDerWaalsContact O-N 3.07Å; R88-F91 WeakPolarHBondContact O-CB 3.34Å; R88-F91 PolarHBondContact O-N 3.01Å; R88-F91 VanDerWaalsContact O-N 3.13Å; A89-F91 VanDerWaalsContact C-N 3.34Å; A89-F91 PolarHBondContact O-N 3.41Å; F91-E93 VanDerWaalsContact C-N 3.31Å; F91-E93 PolarHBondContact O-N 2.79Å; F91-V94 PolarHBondContact O-N 2.67Å; F91-S95 WeakPolarHBondContact O-CA 3.39Å; F91-S95 WeakPolarHBondContact O-CB 3.44Å; F91-S95 PolarHBondContact O-N 2.65Å; F91-E115 VanDerWaalsContact CE1-O 3.28Å; F91-E115 WeakPolarHBondContact CE1-O 3.24Å; F91-I117 HydrophobicContact CD1-CG2 3.67Å; F91-I117 HydrophobicContact CE1-CB 4.24Å; F91-I117 HydrophobicContact CE1-CD1 4.49Å; F91-I117 HydrophobicContact CE1-CG1 4.01Å; F91-I117 HydrophobicContact CE1-CG2 3.7Å; F91-I117 HydrophobicContact CE2-CD1 4.13Å; F91-I117 HydrophobicContact CE2-CG1 4.47Å; F91-I117 HydrophobicContact CG-CG2 4.15Å; F91-I117 HydrophobicContact CZ-CD1 3.97Å; F91-I117 HydrophobicContact CZ-CG1 3.82Å; F91-I117 HydrophobicContact CZ-CG2 4.21Å
92E80Confident71Confident86 Ų8670.1 Ų70.140%0.40239%0.388SS..Hα-helixtrans-65.5-33.5-179.9-71170.4-170.300112.5R88 A89 L100R88-E92 VanDerWaalsContact CD-OE1 3.31Å; R88-E92 WeakPolarHBondContact CD-OE1 3.09Å; R88-E92 HydrophobicContact CG-CG 4.35Å; R88-E92 WeakPolarHBondContact CG-OE1 3.34Å; R88-E92 IonicContact NE-OE1 2.63Å; R88-E92 WeakPolarHBondContact O-CG 3.23Å; R88-E92 PolarHBondContact O-N 2.82Å; A89-E92 PolarHBondContact O-N 3.36Å; A89-E92 VanDerWaalsContact O-N 3.14Å; E92-L100 WeakPolarHBondContact OE1-CD1 3.43Å
93E75.9Confident69.8Low109 Ų10976.2 Ų76.251%0.50941%0.412SS..Hα-helixtrans-64.3-40.8177.5-78163.2-15600112.3A89 F91 K129A89-E93 WeakPolarHBondContact O-CB 3.44Å; A89-E93 VanDerWaalsContact O-CG 3.24Å; A89-E93 WeakPolarHBondContact O-CG 3.45Å; A89-E93 PolarHBondContact O-N 2.66Å; F91-E93 VanDerWaalsContact C-N 3.31Å; F91-E93 PolarHBondContact O-N 2.79Å; E93-K129 IonicContact OE1-NZ 3.99Å; E93-K129 PolarHBondContact OE1-NZ 3.36Å; E93-K129 WeakPolarHBondContact OE2-CE 3.31Å; E93-K129 IonicContact OE2-NZ 3.59Å; E93-K129 PolarHBondContact OE2-NZ 3.32Å
94V79.3Confident68.5Low21 Ų2181.4 Ų81.413%0.12743%0.431CS..Hα-helixtrans-102.6-18.2-174-56.10000113.6G90 F91 S96 I117 E121 A124 L125G90-V94 WeakPolarHBondContact O-CG2 3.43Å; G90-V94 PolarHBondContact O-N 2.8Å; F91-V94 PolarHBondContact O-N 2.67Å; V94-S96 PolarHBondContact O-N 3.29Å; V94-I117 HydrophobicContact CG2-CG2 3.86Å; V94-E121 HydrophobicContact CG2-CB 4.1Å; V94-A124 HydrophobicContact CG1-CB 4.28Å; V94-L125 HydrophobicContact CG1-CB 3.88Å; V94-L125 HydrophobicContact CG1-CD1 4.18Å; V94-L125 HydrophobicContact CG2-CB 4.15Å
95S78.4Confident67.3Low25 Ų2582 Ų8218%0.17543%0.434CS..  trans-74.3126.2-173.5-1630000111.3K16 F91 D97 E121K16-S95 PolarHBondContact NZ-OG 3.13Å; F91-S95 WeakPolarHBondContact O-CA 3.39Å; F91-S95 WeakPolarHBondContact O-CB 3.44Å; F91-S95 PolarHBondContact O-N 2.65Å; S95-D97 PolarHBondContact O-N 2.94Å; S95-D97 PolarHBondContact OG-N 3.07Å; S95-E121 WeakPolarHBondContact CA-OE1 3.49Å; S95-E121 PolarHBondContact OG-OE1 3.37Å
96S68.3Low65.8Low54 Ų5487.3 Ų87.338%0.37844%0.444SS..SBendtrans-77.4-11.8174.9-60.40000112.5V94 G98 E121V94-S96 PolarHBondContact O-N 3.29Å; S96-G98 PolarHBondContact O-N 3.42Å; S96-G98 VanDerWaalsContact O-N 3.14Å; S96-E121 PolarHBondContact N-OE1 3.38Å
97D65.8Low64.6Low62 Ų6289.2 Ų89.233%0.33246%0.456SS..SBendtrans-77.5100.2171.9-58.8-26000106.6K16 T18 S95K16-D97 VanDerWaalsContact CD-OD2 3.28Å; K16-D97 WeakPolarHBondContact CD-OD2 2.91Å; K16-D97 WeakPolarHBondContact CE-OD2 3.42Å; K16-D97 IonicContact NZ-OD2 3.99Å; K16-D97 PolarHBondContact NZ-OD2 3.4Å; T18-D97 PolarHBondContact OG1-OD1 3.4Å; T18-D97 VanDerWaalsContact OG1-OD1 3.05Å; S95-D97 PolarHBondContact O-N 2.94Å; S95-D97 PolarHBondContact OG-N 3.07Å
98G54.4Low62.7Low65 Ų6595 Ų9567%0.6748%0.483SS*.  trans-46161.9-158.800000118.2S96 L100S96-G98 PolarHBondContact O-N 3.42Å; S96-G98 VanDerWaalsContact O-N 3.14Å; G98-L100 PolarHBondContact O-N 2.85Å
99K51.8Low60.8Low207 Ų20794.4 Ų94.490%0.949%0.493SS*.SBendtrans-40.2134.2175.2-65.9-178-179.7-1780111
100L49.8Very low59.2Low106 Ų10697.7 Ų97.756%0.55551%0.509SS*.  trans-34.3133.1177.9-76.3149.1000111.6E92 G98 D102E92-L100 WeakPolarHBondContact OE1-CD1 3.43Å; G98-L100 PolarHBondContact O-N 2.85Å; L100-D102 PolarHBondContact O-N 3.14Å
101P47Very low57.6Low88 Ų88106.6 Ų106.657%0.57155%0.55SS**  trans-56.2144.4166.223.9-30.7000109.1M105P101-M105 HydrophobicContact CB-CB 4.27Å; P101-M105 HydrophobicContact CG-CB 4.4Å
102D47.8Very low56Low141 Ų141111 Ų11175%0.75458%0.582SS**  trans-40.8148.5-175.3-78-53000113L100 H104 M105L100-D102 PolarHBondContact O-N 3.14Å; D102-H104 PolarHBondContact O-N 3.07Å; D102-M105 PolarHBondContact O-N 3.07Å
103E54.9Low54.3Low147 Ų147113.1 Ų113.169%0.68760%0.595SS**G310 helixtrans-40.7-25.2-177.456.9178.917000116M105 R106E103-M105 PolarHBondContact O-N 3.29Å; E103-R106 WeakPolarHBondContact O-CG 3.39Å
104H53.5Low53.4Low162 Ų162110.4 Ų110.475%0.7560%0.597SS**G310 helixtrans-72.3-15.7177.4-721.5000115.5D102D102-H104 PolarHBondContact O-N 3.07Å
105M50.2Low53.1Low119 Ų119112 Ų11259%0.58660%0.603SS**G310 helixtrans-95.616179.5-159.760.67900114P101 D102 E103 I107P101-M105 HydrophobicContact CB-CB 4.27Å; P101-M105 HydrophobicContact CG-CB 4.4Å; D102-M105 PolarHBondContact O-N 3.07Å; E103-M105 PolarHBondContact O-N 3.29Å; M105-I107 PolarHBondContact O-N 3.14Å
106R47.1Very low53.5Low186 Ų186113 Ų11370%0.70261%0.607SS**THydrogen-bonded Turntrans-68.812.8-178.9-78.7-175.7165.1-178.91.2116.3E103 H108E103-R106 WeakPolarHBondContact O-CG 3.39Å; R106-H108 VanDerWaalsContact C-N 3.3Å; R106-H108 PolarHBondContact O-N 3.19Å
107I51.4Low54.5Low151 Ų151110.4 Ų110.477%0.77459%0.589SS**THydrogen-bonded Turntrans-83.9-5.8-177.4-26.8-177.3000112.7M105M105-I107 PolarHBondContact O-N 3.14Å
108H42.7Very low55.8Low121 Ų121107.4 Ų107.456%0.5657%0.574SS**SBendtrans-95.1136.6168.7-69.4-71.9000110.5R106 V110R106-H108 VanDerWaalsContact C-N 3.3Å; R106-H108 PolarHBondContact O-N 3.19Å; H108-V110 PolarHBondContact O-N 3.46Å
109P40.7Very low57.6Low94 Ų94104.4 Ų104.461%0.6154%0.542SS*.  trans-55126.5-178.920.4-30.1000109.9E111 S112P109-E111 PolarHBondContact O-N 3.13Å; P109-S112 PolarHBondContact O-N 2.83Å; P109-S112 VanDerWaalsContact O-N 3.13Å
110V45.5Very low59.5Low104 Ų10496.9 Ų96.963%0.6351%0.508SS*.THydrogen-bonded Turntrans-50.3-15.4-176.8168.90000113.6H108H108-V110 PolarHBondContact O-N 3.46Å
111E43.4Very low61.4Low186 Ų18691.9 Ų91.987%0.86948%0.482SS*.THydrogen-bonded Turntrans-86.8-9.2-176.9-58.8-175.5150.700114.9P109P109-E111 PolarHBondContact O-N 3.13Å
112S47.9Very low63.6Low96 Ų9687.7 Ų87.767%0.67146%0.455SS*.SBendtrans-114.55.8-165.1-166.10000117.7P109P109-S112 PolarHBondContact O-N 2.83Å; P109-S112 VanDerWaalsContact O-N 3.13Å
113L45.5Very low65.6Low132 Ų13281 Ų8169%0.69142%0.419SS*.SBendtrans-122.894.3177.1-75.6165.5000111.4E115L113-E115 WeakPolarHBondContact O-CG 3.32Å; L113-E115 PolarHBondContact O-N 3.14Å
114G55.3Low67.2Low52 Ų5275 Ų7554%0.53640%0.395SS..  trans80.811147.500000119.7T116G114-T116 PolarHBondContact O-N 3.47Å; G114-T116 VanDerWaalsContact O-N 3.11Å
115E74.4Confident68.9Low55 Ų5567.3 Ų67.326%0.25736%0.359SS..  trans-9451.7-168.7-53.1-177.6150.500114.4R68 F91 L113R68-E115 IonicContact CZ-OE1 3.36Å; R68-E115 IonicContact CZ-OE2 2.82Å; R68-E115 IonicContact NE-OE1 2.79Å; R68-E115 IonicContact NE-OE2 2.65Å; R68-E115 PolarHBondContact NE-OE2 2.99Å; R68-E115 IonicContact NH1-OE1 2.67Å; R68-E115 PolarHBondContact NH1-OE1 3.13Å; R68-E115 IonicContact NH1-OE2 3.41Å; R68-E115 PolarHBondContact NH1-OE2 3.38Å; R68-E115 IonicContact NH2-OE1 2.96Å; R68-E115 PolarHBondContact NH2-OE1 3.46Å; R68-E115 IonicContact NH2-OE2 2.88Å; R68-E115 PolarHBondContact NH2-OE2 2.85Å; F91-E115 VanDerWaalsContact CE1-O 3.28Å; F91-E115 WeakPolarHBondContact CE1-O 3.24Å; L113-E115 WeakPolarHBondContact O-CG 3.32Å; L113-E115 PolarHBondContact O-N 3.14Å
116T86.8Confident70.7Confident44 Ų4462.6 Ų62.627%0.2734%0.336SS..EExtended strand (participates in β ladder)trans-102.7159.5164.858.30000110.7K16 P65 L66 T67 G114K16-T116 WeakPolarHBondContact CE-O 3.48Å; K16-T116 PolarHBondContact NZ-O 2.89Å; P65-T116 VanDerWaalsContact CB-CB 3.46Å; P65-T116 HydrophobicContact CB-CG2 4.06Å; P65-T116 WeakPolarHBondContact CB-OG1 3.27Å; L66-T116 CarbonylContact O-C 3.58Å; L66-T116 WeakPolarHBondContact O-CA 3.3Å; T67-T116 HydrophobicContact CG2-CG2 4.1Å; G114-T116 PolarHBondContact O-N 3.47Å; G114-T116 VanDerWaalsContact O-N 3.11Å
117I89.3Confident72.5Confident0 Ų055.9 Ų55.90%031%0.312CS..EExtended strand (participates in β ladder)trans-116130.7162.354.9-179.6000108.7P65 L66 F91 V94 E121 F122 L125P65-I117 CarbonylContact C-O 3.6Å; P65-I117 VanDerWaalsContact CA-O 3.28Å; P65-I117 WeakPolarHBondContact CA-O 3.34Å; L66-I117 HydrophobicContact CB-CG1 3.94Å; L66-I117 PolarHBondContact N-O 3.01Å; L66-I117 PolarHBondContact O-N 3.23Å; F91-I117 HydrophobicContact CD1-CG2 3.67Å; F91-I117 HydrophobicContact CE1-CB 4.24Å; F91-I117 HydrophobicContact CE1-CD1 4.49Å; F91-I117 HydrophobicContact CE1-CG1 4.01Å; F91-I117 HydrophobicContact CE1-CG2 3.7Å; F91-I117 HydrophobicContact CE2-CD1 4.13Å; F91-I117 HydrophobicContact CE2-CG1 4.47Å; F91-I117 HydrophobicContact CG-CG2 4.15Å; F91-I117 HydrophobicContact CZ-CD1 3.97Å; F91-I117 HydrophobicContact CZ-CG1 3.82Å; F91-I117 HydrophobicContact CZ-CG2 4.21Å; V94-I117 HydrophobicContact CG2-CG2 3.86Å; I117-E121 VanDerWaalsContact CA-OE2 3.24Å; I117-E121 WeakPolarHBondContact CA-OE2 3.44Å; I117-E121 HydrophobicContact CB-CB 3.82Å; I117-E121 HydrophobicContact CG2-CB 3.99Å; I117-F122 HydrophobicContact CD1-CB 4.18Å; I117-F122 HydrophobicContact CD1-CD2 4.12Å; I117-F122 HydrophobicContact CG1-CB 4.48Å; I117-L125 HydrophobicContact CD1-CD2 3.75Å
118D91.5Very high73.9Confident0 Ų051.4 Ų51.40%029%0.292CS..  trans-76.6-174.3170.770.621.9000111.8L15 K16 S19 F55 Y120 E121 F122L15-D118 WeakPolarHBondContact CA-OD2 3.39Å; L15-D118 HydrophobicContact CD2-CB 4.07Å; K16-D118 HydrophobicContact CG-CB 4.16Å; K16-D118 PolarHBondContact N-OD2 3.5Å; S19-D118 WeakPolarHBondContact CB-OD2 3.39Å; S19-D118 PolarHBondContact OG-OD2 3.1Å; F55-D118 WeakPolarHBondContact CE2-O 3.49Å; D118-Y120 VanDerWaalsContact C-N 3.33Å; D118-Y120 PolarHBondContact O-N 3.43Å; D118-Y120 WeakPolarHBondContact OD1-CA 3.48Å; D118-Y120 WeakPolarHBondContact OD1-CB 3.39Å; D118-Y120 PolarHBondContact OD1-N 3.07Å; D118-E121 PolarHBondContact N-OE2 2.83Å; D118-E121 PolarHBondContact OD1-N 3.37Å; D118-F122 WeakPolarHBondContact O-CB 3.46Å; D118-F122 PolarHBondContact O-N 3.2Å
119F92.3Very high75.6Confident1 Ų148.6 Ų48.60%0.00428%0.278CS..Hα-helixtrans-66.7-34.2-179.1-173.2-119.1000113.3I10 L15 L34 M37 L51 Q52 F55 F122 V123I10-F119 HydrophobicContact CB-CD1 4.46Å; I10-F119 HydrophobicContact CD1-CD1 3.34Å; I10-F119 HydrophobicContact CD1-CE1 3.47Å; I10-F119 VanDerWaalsContact CD1-CE1 3.47Å; I10-F119 HydrophobicContact CD1-CG 3.95Å; I10-F119 HydrophobicContact CD1-CZ 4.23Å; I10-F119 HydrophobicContact CG1-CD1 3.5Å; I10-F119 HydrophobicContact CG1-CE1 3.69Å; I10-F119 HydrophobicContact CG1-CG 4.46Å; I10-F119 HydrophobicContact CG2-CB 4.38Å; I10-F119 HydrophobicContact CG2-CD1 4.22Å; L15-F119 HydrophobicContact CD2-CB 3.99Å; L34-F119 HydrophobicContact CD2-CE1 3.75Å; L34-F119 HydrophobicContact CD2-CZ 4.39Å; M37-F119 HydrophobicContact CE-CD1 3.25Å; M37-F119 HydrophobicContact CE-CE1 3.1Å; M37-F119 HydrophobicContact CE-CZ 4.3Å; M37-F119 HydrophobicContact SD-CD1 4.43Å; L51-F119 HydrophobicContact CB-CE2 4.38Å; Q52-F119 VanDerWaalsContact CA-CE2 3.5Å; Q52-F119 HydrophobicContact CB-CE2 4.1Å; Q52-F119 HydrophobicContact CB-CZ 3.75Å; Q52-F119 HydrophobicContact CG-CZ 4.35Å; F55-F119 HydrophobicContact CB-CD2 3.67Å; F55-F119 HydrophobicContact CB-CE2 3.87Å; F55-F119 HydrophobicContact CD1-CB 4.23Å; F55-F119 AromaticContact CD1-CD2 3.78Å; F55-F119 HydrophobicContact CD1-CD2 3.78Å; F55-F119 HydrophobicContact CD1-CG 4.37Å; F55-F119 HydrophobicContact CD2-CB 4.5Å; F55-F119 AromaticContact CD2-CD2 3.88Å; F55-F119 HydrophobicContact CD2-CD2 3.88Å; F55-F119 HydrophobicContact CE1-CB 3.96Å; F55-F119 HydrophobicContact CE1-CD2 4.36Å; F55-F119 HydrophobicContact CE2-CB 4.22Å; F55-F119 HydrophobicContact CE2-CD2 4.43Å; F55-F119 HydrophobicContact CG-CB 4.5Å; F55-F119 AromaticContact CG-CD2 3.51Å; F55-F119 HydrophobicContact CG-CD2 3.51Å; F55-F119 HydrophobicContact CG-CE2 4.24Å; F55-F119 HydrophobicContact CG-CG 4.44Å; F55-F119 HydrophobicContact CZ-CB 3.97Å; F119-F122 HydrophobicContact CD2-CD1 4.15Å; F119-F122 HydrophobicContact CE2-CD1 4.23Å; F119-V123 HydrophobicContact CD1-CG2 4.46Å; F119-V123 HydrophobicContact CD2-CG2 4.36Å; F119-V123 HydrophobicContact CE1-CG2 4.12Å; F119-V123 HydrophobicContact CE2-CG2 3.97Å; F119-V123 HydrophobicContact CZ-CG2 3.85Å; F119-V123 VanDerWaalsContact O-CG2 3.26Å; F119-V123 WeakPolarHBondContact O-CG2 3.37Å; F119-V123 PolarHBondContact O-N 2.84Å
120Y91.6Very high77.6Confident50 Ų5047.8 Ų47.820%0.19627%0.266CS..Hα-helixtrans-67.8-49.3178.6172.9-100000110.8A22 L23 M37 M41 D118 F122 V123 A124A22-Y120 HydrophobicContact CB-CE1 4.25Å; L23-Y120 HydrophobicContact CD2-CD2 3.56Å; L23-Y120 HydrophobicContact CD2-CE2 3.88Å; L23-Y120 HydrophobicContact CD2-CG 4.35Å; L23-Y120 HydrophobicContact CG-CD2 4.43Å; M37-Y120 HydrophobicContact SD-CD2 4.5Å; M41-Y120 HydrophobicContact CE-CD2 4.44Å; M41-Y120 HydrophobicContact CE-CE2 4.18Å; M41-Y120 HydrophobicContact CG-CE2 4.39Å; M41-Y120 HydrophobicContact SD-CD2 3.81Å; M41-Y120 HydrophobicContact SD-CE2 3.24Å; M41-Y120 WeakPolarHBondContact SD-CE2 3.28Å; D118-Y120 VanDerWaalsContact C-N 3.33Å; D118-Y120 PolarHBondContact O-N 3.43Å; D118-Y120 WeakPolarHBondContact OD1-CA 3.48Å; D118-Y120 WeakPolarHBondContact OD1-CB 3.39Å; D118-Y120 PolarHBondContact OD1-N 3.07Å; Y120-F122 VanDerWaalsContact C-N 3.3Å; Y120-F122 PolarHBondContact O-N 3.45Å; Y120-V123 PolarHBondContact O-N 3.09Å; Y120-A124 PolarHBondContact O-N 3.28Å
121E91Very high78.9Confident1 Ų144.4 Ų44.41%0.00525%0.245CC..Hα-helixtrans-63-37.4175.9-65.5170.8132.800111.2K16 V94 S95 S96 I117 D118 A124 L125K16-E121 VanDerWaalsContact CD-OE2 3.27Å; K16-E121 WeakPolarHBondContact CD-OE2 3.48Å; K16-E121 WeakPolarHBondContact CE-OE2 3.38Å; K16-E121 IonicContact NZ-OE1 3.8Å; K16-E121 PolarHBondContact NZ-OE1 2.98Å; K16-E121 IonicContact NZ-OE2 2.76Å; K16-E121 PolarHBondContact NZ-OE2 3.19Å; V94-E121 HydrophobicContact CG2-CB 4.1Å; S95-E121 WeakPolarHBondContact CA-OE1 3.49Å; S95-E121 PolarHBondContact OG-OE1 3.37Å; S96-E121 PolarHBondContact N-OE1 3.38Å; I117-E121 VanDerWaalsContact CA-OE2 3.24Å; I117-E121 WeakPolarHBondContact CA-OE2 3.44Å; I117-E121 HydrophobicContact CB-CB 3.82Å; I117-E121 HydrophobicContact CG2-CB 3.99Å; D118-E121 PolarHBondContact N-OE2 2.83Å; D118-E121 PolarHBondContact OD1-N 3.37Å; E121-A124 PolarHBondContact O-N 3.48Å; E121-L125 WeakPolarHBondContact O-CB 3.07Å; E121-L125 PolarHBondContact O-N 3.33Å
122F92Very high80.4Confident0 Ų036.9 Ų36.90%022%0.215CC..Hα-helixtrans-62.7-45.3174.2174.6-106.9000112.5L51 V54 F55 L66 L71 L74 I117 D118 F119 Y120 L125 M126L51-F122 HydrophobicContact CB-CE1 4.18Å; L51-F122 HydrophobicContact CD2-CE1 4.11Å; L51-F122 HydrophobicContact CD2-CZ 4.46Å; V54-F122 HydrophobicContact CG1-CZ 3.96Å; F55-F122 HydrophobicContact CB-CD1 3.89Å; F55-F122 HydrophobicContact CB-CE1 3.87Å; F55-F122 HydrophobicContact CD2-CB 3.72Å; F55-F122 AromaticContact CD2-CD1 3.64Å; F55-F122 HydrophobicContact CD2-CD1 3.64Å; F55-F122 HydrophobicContact CD2-CD2 4.29Å; F55-F122 HydrophobicContact CD2-CE1 4.32Å; F55-F122 AromaticContact CD2-CG 3.61Å; F55-F122 HydrophobicContact CD2-CG 3.61Å; F55-F122 HydrophobicContact CE2-CB 3.9Å; F55-F122 HydrophobicContact CE2-CG 4.28Å; F55-F122 HydrophobicContact CG-CD1 4.2Å; L66-F122 HydrophobicContact CD1-CD2 3.7Å; L66-F122 HydrophobicContact CD1-CE2 3.94Å; L66-F122 HydrophobicContact CD1-CG 4.27Å; L71-F122 HydrophobicContact CD1-CE2 4.5Å; L74-F122 HydrophobicContact CD2-CE2 3.79Å; L74-F122 HydrophobicContact CD2-CZ 4.04Å; I117-F122 HydrophobicContact CD1-CB 4.18Å; I117-F122 HydrophobicContact CD1-CD2 4.12Å; I117-F122 HydrophobicContact CG1-CB 4.48Å; D118-F122 WeakPolarHBondContact O-CB 3.46Å; D118-F122 PolarHBondContact O-N 3.2Å; F119-F122 HydrophobicContact CD2-CD1 4.15Å; F119-F122 HydrophobicContact CE2-CD1 4.23Å; Y120-F122 VanDerWaalsContact C-N 3.3Å; Y120-F122 PolarHBondContact O-N 3.45Å; F122-L125 WeakPolarHBondContact O-CB 3.46Å; F122-L125 PolarHBondContact O-N 3.37Å; F122-M126 HydrophobicContact CD1-CG 4.35Å; F122-M126 HydrophobicContact CD2-CG 4.06Å; F122-M126 HydrophobicContact CE1-CG 3.96Å; F122-M126 HydrophobicContact CE2-CG 3.63Å; F122-M126 HydrophobicContact CE2-SD 3.86Å; F122-M126 HydrophobicContact CG-CG 4.41Å; F122-M126 HydrophobicContact CZ-CG 3.58Å; F122-M126 HydrophobicContact CZ-SD 4.05Å; F122-M126 WeakPolarHBondContact O-CB 3.17Å; F122-M126 VanDerWaalsContact O-CG 3.26Å; F122-M126 WeakPolarHBondContact O-CG 3.28Å; F122-M126 PolarHBondContact O-N 3.44Å
123V91.6Very high81.7Confident0 Ų040 Ų400%022%0.219CC..Hα-helixtrans-62-45.7176.4171.30000110.3M41 L48 L51 F119 Y120 L125 M126 Q127M41-V123 HydrophobicContact CE-CB 4.15Å; M41-V123 HydrophobicContact CE-CG1 3.65Å; M41-V123 HydrophobicContact CG-CG1 4.36Å; L48-V123 HydrophobicContact CD2-CB 4.37Å; L48-V123 HydrophobicContact CD2-CG1 3.57Å; L48-V123 HydrophobicContact CD2-CG2 3.79Å; L51-V123 HydrophobicContact CD1-CB 4.48Å; L51-V123 HydrophobicContact CD1-CG1 4.26Å; L51-V123 HydrophobicContact CD1-CG2 4.09Å; F119-V123 HydrophobicContact CD1-CG2 4.46Å; F119-V123 HydrophobicContact CD2-CG2 4.36Å; F119-V123 HydrophobicContact CE1-CG2 4.12Å; F119-V123 HydrophobicContact CE2-CG2 3.97Å; F119-V123 HydrophobicContact CZ-CG2 3.85Å; F119-V123 VanDerWaalsContact O-CG2 3.26Å; F119-V123 WeakPolarHBondContact O-CG2 3.37Å; F119-V123 PolarHBondContact O-N 2.84Å; Y120-V123 PolarHBondContact O-N 3.09Å; V123-L125 VanDerWaalsContact C-N 3.29Å; V123-L125 PolarHBondContact O-N 2.95Å; V123-M126 PolarHBondContact O-N 2.89Å; V123-Q127 HydrophobicContact CG1-CG 4.33Å; V123-Q127 WeakPolarHBondContact O-CG 3.46Å; V123-Q127 PolarHBondContact O-N 3Å
124A88.1Confident82.8Confident22 Ų2238.9 Ų38.918%0.18221%0.211CC..Hα-helixtrans-58-42.7176.800000111.7M41 V94 Y120 E121 Q127 T128M41-A124 HydrophobicContact CE-CB 4.02Å; V94-A124 HydrophobicContact CG1-CB 4.28Å; Y120-A124 PolarHBondContact O-N 3.28Å; E121-A124 PolarHBondContact O-N 3.48Å; A124-Q127 PolarHBondContact O-N 3.48Å; A124-T128 WeakPolarHBondContact O-CB 3.41Å; A124-T128 PolarHBondContact O-N 3.33Å; A124-T128 PolarHBondContact O-OG1 3.35Å; A124-T128 VanDerWaalsContact O-OG1 3.07Å
125L88.1Confident83.6Confident0 Ų039.5 Ų39.50%020%0.199CC..Hα-helixtrans-63.1-46176.6179.966.1000111.9L71 V94 I117 E121 F122 V123 T128 K129L71-L125 HydrophobicContact CD1-CD2 3.72Å; L71-L125 HydrophobicContact CD2-CD2 3.43Å; L71-L125 VanDerWaalsContact CD2-CD2 3.43Å; L71-L125 HydrophobicContact CG-CD2 4.24Å; V94-L125 HydrophobicContact CG1-CB 3.88Å; V94-L125 HydrophobicContact CG1-CD1 4.18Å; V94-L125 HydrophobicContact CG2-CB 4.15Å; I117-L125 HydrophobicContact CD1-CD2 3.75Å; E121-L125 WeakPolarHBondContact O-CB 3.07Å; E121-L125 PolarHBondContact O-N 3.33Å; F122-L125 WeakPolarHBondContact O-CB 3.46Å; F122-L125 PolarHBondContact O-N 3.37Å; V123-L125 VanDerWaalsContact C-N 3.29Å; V123-L125 PolarHBondContact O-N 2.95Å; L125-T128 PolarHBondContact O-N 3.04Å; L125-K129 HydrophobicContact CD1-CG 3.89Å; L125-K129 HydrophobicContact CG-CG 4.41Å; L125-K129 WeakPolarHBondContact O-CG 3.41Å; L125-K129 PolarHBondContact O-N 2.84Å
126M88.8Confident83.8Confident19 Ų1939.1 Ų39.19%0.09420%0.199CC..Hα-helixtrans-66.2-39.7-179.1-68.2-57.2-65.800111.5L51 L74 F122 V123 T128 K129 F130L51-M126 HydrophobicContact CD1-CB 4.22Å; L51-M126 HydrophobicContact CD2-CB 3.93Å; L51-M126 HydrophobicContact CD2-CE 4.26Å; L51-M126 HydrophobicContact CD2-CG 3.91Å; L74-M126 HydrophobicContact CD2-CE 4.24Å; L74-M126 HydrophobicContact CD2-SD 3.92Å; F122-M126 HydrophobicContact CD1-CG 4.35Å; F122-M126 HydrophobicContact CD2-CG 4.06Å; F122-M126 HydrophobicContact CE1-CG 3.96Å; F122-M126 HydrophobicContact CE2-CG 3.63Å; F122-M126 HydrophobicContact CE2-SD 3.86Å; F122-M126 HydrophobicContact CG-CG 4.41Å; F122-M126 HydrophobicContact CZ-CG 3.58Å; F122-M126 HydrophobicContact CZ-SD 4.05Å; F122-M126 WeakPolarHBondContact O-CB 3.17Å; F122-M126 VanDerWaalsContact O-CG 3.26Å; F122-M126 WeakPolarHBondContact O-CG 3.28Å; F122-M126 PolarHBondContact O-N 3.44Å; V123-M126 PolarHBondContact O-N 2.89Å; M126-T128 VanDerWaalsContact C-N 3.33Å; M126-T128 PolarHBondContact O-N 3.15Å; M126-K129 PolarHBondContact O-N 3.37Å; M126-F130 HydrophobicContact CE-CD2 3.37Å; M126-F130 HydrophobicContact CE-CE2 3.91Å; M126-F130 HydrophobicContact CE-CG 4.24Å; M126-F130 CarbonylContact O-C 3.59Å; M126-F130 VanDerWaalsContact O-CA 3.27Å; M126-F130 WeakPolarHBondContact O-CA 3.45Å; M126-F130 PolarHBondContact O-N 2.88Å; M126-F130 VanDerWaalsContact O-O 3.07Å; M126-F130 HydrophobicContact SD-CD2 3.81Å; M126-F130 HydrophobicContact SD-CE2 3.99Å
127Q84.9Confident83.6Confident45 Ų4540.7 Ų40.721%0.2121%0.206CC..Hα-helixtrans-63.9-37.9173.6-72.3-179-34.500112.3M41 V123 A124M41-Q127 PolarHBondContact O-NE2 2.97Å; V123-Q127 HydrophobicContact CG1-CG 4.33Å; V123-Q127 WeakPolarHBondContact O-CG 3.46Å; V123-Q127 PolarHBondContact O-N 3Å; A124-Q127 PolarHBondContact O-N 3.48Å
128T80Confident83.2Confident57 Ų5746.7 Ų46.735%0.3523%0.234SC..Hα-helixtrans-71.5-41.3178.4-65.80000112.1A124 L125 M126 R196A124-T128 WeakPolarHBondContact O-CB 3.41Å; A124-T128 PolarHBondContact O-N 3.33Å; A124-T128 PolarHBondContact O-OG1 3.35Å; A124-T128 VanDerWaalsContact O-OG1 3.07Å; L125-T128 PolarHBondContact O-N 3.04Å; M126-T128 VanDerWaalsContact C-N 3.33Å; M126-T128 PolarHBondContact O-N 3.15Å; T128-R196 PolarHBondContact O-NH2 3.39Å
129K79.4Confident82.8Confident62 Ų6247.8 Ų47.827%0.2724%0.239SC..Hα-helixtrans-89.2-34.6-175.7-58.9-64.5178.7-167.80112.9E93 L125 M126 R196E93-K129 IonicContact OE1-NZ 3.99Å; E93-K129 PolarHBondContact OE1-NZ 3.36Å; E93-K129 WeakPolarHBondContact OE2-CE 3.31Å; E93-K129 IonicContact OE2-NZ 3.59Å; E93-K129 PolarHBondContact OE2-NZ 3.32Å; L125-K129 HydrophobicContact CD1-CG 3.89Å; L125-K129 HydrophobicContact CG-CG 4.41Å; L125-K129 WeakPolarHBondContact O-CG 3.41Å; L125-K129 PolarHBondContact O-N 2.84Å; M126-K129 PolarHBondContact O-N 3.37Å; K129-R196 VanDerWaalsContact C-NH2 3.3Å; K129-R196 PolarHBondContact O-NH2 3.16Å
130F81.5Confident82.6Confident78 Ų7852.1 Ų52.134%0.34226%0.258SS..SBendtrans-131.571.4-178.2-46.1-74.5000110.2Y75 I80 M126Y75-F130 HydrophobicContact CD1-CE2 4.42Å; Y75-F130 HydrophobicContact CD1-CZ 4.26Å; Y75-F130 AromaticContact CE1-CE2 3.74Å; Y75-F130 HydrophobicContact CE1-CE2 3.74Å; Y75-F130 AromaticContact CE1-CZ 3.86Å; Y75-F130 HydrophobicContact CE1-CZ 3.86Å; I80-F130 HydrophobicContact CD1-CD1 4.28Å; I80-F130 HydrophobicContact CD1-CE1 3.15Å; I80-F130 HydrophobicContact CD1-CE2 4.26Å; I80-F130 HydrophobicContact CD1-CZ 3.14Å; I80-F130 HydrophobicContact CG1-CE1 4.35Å; M126-F130 HydrophobicContact CE-CD2 3.37Å; M126-F130 HydrophobicContact CE-CE2 3.91Å; M126-F130 HydrophobicContact CE-CG 4.24Å; M126-F130 CarbonylContact O-C 3.59Å; M126-F130 VanDerWaalsContact O-CA 3.27Å; M126-F130 WeakPolarHBondContact O-CA 3.45Å; M126-F130 PolarHBondContact O-N 2.88Å; M126-F130 VanDerWaalsContact O-O 3.07Å; M126-F130 HydrophobicContact SD-CD2 3.81Å; M126-F130 HydrophobicContact SD-CE2 3.99Å
131P73.7Confident82.4Confident32 Ų3256.7 Ų56.721%0.20828%0.281CS..  trans-57.9149.1175.526.6-35.1000110.1Q135 L136 R196P131-Q135 HydrophobicContact CB-CB 4.12Å; P131-L136 HydrophobicContact CG-CD1 4.32Å; P131-R196 VanDerWaalsContact CD-NH2 3.28Å
132A74.3Confident82.1Confident28 Ų2859.4 Ų59.423%0.23130%0.298CS..  trans-60.6150.7174.800000110.3Q134 Q135 L136A132-Q134 PolarHBondContact O-N 3.48Å; A132-Q134 VanDerWaalsContact O-N 3.1Å; A132-Q135 HydrophobicContact CB-CG 4.41Å; A132-Q135 WeakPolarHBondContact O-CA 3.37Å; A132-Q135 WeakPolarHBondContact O-CB 3.4Å; A132-Q135 PolarHBondContact O-N 2.75Å; A132-L136 PolarHBondContact O-N 3.04Å
133E74.9Confident82Confident162 Ų16260.3 Ų60.376%0.75730%0.302SS*.Hα-helixtrans-51.6-39.1-179.8-67.8-179.9168.200112.4Q135 L136 D137E133-Q135 PolarHBondContact O-N 2.9Å; E133-L136 CarbonylContact O-C 3.05Å; E133-L136 WeakPolarHBondContact O-CB 3.5Å; E133-L136 PolarHBondContact O-N 3.42Å; E133-L136 VanDerWaalsContact O-N 3.15Å; E133-D137 VanDerWaalsContact O-CG 3.32Å; E133-D137 PolarHBondContact O-N 3.37Å
134Q68.9Low81.9Confident109 Ų10963.6 Ų63.651%0.50933%0.325SS..Hα-helixtrans-63-41.4176.9-62.8-171.3-49.300113K44 A132 L136 D137 E138K44-Q134 VanDerWaalsContact CE-OE1 3.22Å; A132-Q134 PolarHBondContact O-N 3.48Å; A132-Q134 VanDerWaalsContact O-N 3.1Å; Q134-L136 VanDerWaalsContact C-N 3.27Å; Q134-L136 PolarHBondContact O-N 3.07Å; Q134-D137 PolarHBondContact O-N 3.29Å; Q134-E138 WeakPolarHBondContact O-CG 3.43Å; Q134-E138 PolarHBondContact O-N 3.11Å
135Q72.8Confident81.9Confident65 Ų6565.2 Ų65.230%0.30434%0.338SS..Hα-helixtrans-67-34.7175.6-66.3176.6-21.800110.8P131 A132 E133 L139P131-Q135 HydrophobicContact CB-CB 4.12Å; A132-Q135 HydrophobicContact CB-CG 4.41Å; A132-Q135 WeakPolarHBondContact O-CA 3.37Å; A132-Q135 WeakPolarHBondContact O-CB 3.4Å; A132-Q135 PolarHBondContact O-N 2.75Å; E133-Q135 PolarHBondContact O-N 2.9Å; Q135-L139 VanDerWaalsContact O-CB 3.23Å; Q135-L139 WeakPolarHBondContact O-CB 3.5Å; Q135-L139 PolarHBondContact O-N 3.27Å
136L79.1Confident81.9Confident47 Ų4765.8 Ų65.825%0.24634%0.341CS..Hα-helixtrans-67.7-41.1176.1-165.570.9000111.3P131 A132 E133 Q134 L139 K140 F192P131-L136 HydrophobicContact CG-CD1 4.32Å; A132-L136 PolarHBondContact O-N 3.04Å; E133-L136 CarbonylContact O-C 3.05Å; E133-L136 WeakPolarHBondContact O-CB 3.5Å; E133-L136 PolarHBondContact O-N 3.42Å; E133-L136 VanDerWaalsContact O-N 3.15Å; Q134-L136 VanDerWaalsContact C-N 3.27Å; Q134-L136 PolarHBondContact O-N 3.07Å; L136-L139 PolarHBondContact O-N 3.01Å; L136-K140 VanDerWaalsContact O-CG 3.29Å; L136-K140 WeakPolarHBondContact O-CG 3.28Å; L136-K140 PolarHBondContact O-N 3.02Å; L136-F192 HydrophobicContact CD1-CE1 3.63Å; L136-F192 HydrophobicContact CD1-CZ 3.76Å; L136-F192 HydrophobicContact CG-CE1 4.4Å; L136-F192 HydrophobicContact CG-CZ 4.31Å
137D81.2Confident82Confident77 Ų7765.3 Ų65.341%0.41234%0.339SS..Hα-helixtrans-70.1-43.7179-68.7-20.7000111.8E133 Q134 L139 K140 E141E133-D137 VanDerWaalsContact O-CG 3.32Å; E133-D137 PolarHBondContact O-N 3.37Å; Q134-D137 PolarHBondContact O-N 3.29Å; D137-L139 VanDerWaalsContact C-N 3.25Å; D137-L139 PolarHBondContact O-N 2.91Å; D137-K140 WeakPolarHBondContact O-CB 3.49Å; D137-K140 PolarHBondContact O-N 2.94Å; D137-K140 VanDerWaalsContact O-N 3.1Å; D137-K140 IonicContact OD1-NZ 3.29Å; D137-K140 PolarHBondContact OD1-NZ 2.84Å; D137-E141 WeakPolarHBondContact O-CG 3.17Å; D137-E141 PolarHBondContact O-N 3.43Å
138E81.1Confident82Confident126 Ų12666.7 Ų66.759%0.58935%0.345SS*.Hα-helixtrans-55.7-43.1170.4-74.3173.6-171.400111.1Q134 E141 V142Q134-E138 WeakPolarHBondContact O-CG 3.43Å; Q134-E138 PolarHBondContact O-N 3.11Å; E138-E141 PolarHBondContact O-N 3.33Å; E138-V142 WeakPolarHBondContact O-CG2 3.14Å; E138-V142 PolarHBondContact O-N 3.05Å
139L83.4Confident82.5Confident23 Ų2368.7 Ų68.712%0.1235%0.353CS..Hα-helixtrans-67.2-35.7177.6-176.765.3000112.7Q135 L136 D137 V142 F143 F192 F195 R196 T199Q135-L139 VanDerWaalsContact O-CB 3.23Å; Q135-L139 WeakPolarHBondContact O-CB 3.5Å; Q135-L139 PolarHBondContact O-N 3.27Å; L136-L139 PolarHBondContact O-N 3.01Å; D137-L139 VanDerWaalsContact C-N 3.25Å; D137-L139 PolarHBondContact O-N 2.91Å; L139-V142 PolarHBondContact O-N 3.37Å; L139-F143 WeakPolarHBondContact O-CB 3.37Å; L139-F143 PolarHBondContact O-N 3.45Å; L139-F192 HydrophobicContact CB-CE2 4.5Å; L139-F192 HydrophobicContact CB-CZ 4.39Å; L139-F192 HydrophobicContact CD2-CE2 4.23Å; L139-F192 HydrophobicContact CD2-CZ 3.9Å; L139-F192 HydrophobicContact CG-CE2 3.96Å; L139-F192 HydrophobicContact CG-CZ 4.04Å; L139-F195 HydrophobicContact CD1-CD1 4.03Å; L139-F195 HydrophobicContact CD1-CE1 3.99Å; L139-R196 HydrophobicContact CD2-CB 3.61Å; L139-R196 HydrophobicContact CD2-CG 3.55Å; L139-T199 HydrophobicContact CD1-CG2 3.44Å; L139-T199 VanDerWaalsContact CD1-CG2 3.44Å; L139-T199 WeakPolarHBondContact CD1-OG1 3.26Å
140K87.7Confident82.9Confident92 Ų9273.2 Ų73.240%0.438%0.376SS..Hα-helixtrans-66.4-39.2173.6-73.2170.4-163.51520111.8L136 D137 V142 F143 S144 F192L136-K140 VanDerWaalsContact O-CG 3.29Å; L136-K140 WeakPolarHBondContact O-CG 3.28Å; L136-K140 PolarHBondContact O-N 3.02Å; D137-K140 WeakPolarHBondContact O-CB 3.49Å; D137-K140 PolarHBondContact O-N 2.94Å; D137-K140 VanDerWaalsContact O-N 3.1Å; D137-K140 IonicContact OD1-NZ 3.29Å; D137-K140 PolarHBondContact OD1-NZ 2.84Å; K140-V142 VanDerWaalsContact C-N 3.34Å; K140-F143 PolarHBondContact O-N 3.41Å; K140-S144 WeakPolarHBondContact O-CB 3.14Å; K140-S144 PolarHBondContact O-N 3.05Å; K140-F192 HydrophobicContact CB-CE2 4.24Å; K140-F192 HydrophobicContact CG-CD2 4.42Å; K140-F192 HydrophobicContact CG-CE2 3.56Å; K140-F192 HydrophobicContact CG-CZ 3.6Å
141E87.4Confident83.5Confident145 Ų14573 Ų7368%0.67838%0.378SS*.Hα-helixtrans-62.5-44.4174.6-70.9-178.5172.100110.8D137 E138 S144 A145D137-E141 WeakPolarHBondContact O-CG 3.17Å; D137-E141 PolarHBondContact O-N 3.43Å; E138-E141 PolarHBondContact O-N 3.33Å; E141-S144 PolarHBondContact O-N 2.96Å; E141-A145 PolarHBondContact O-N 3.06Å
142V85.9Confident84.3Confident59 Ų5973.3 Ų73.336%0.35839%0.387SS..Hα-helixtrans-64.1-43.1174.6177.40000110.8E138 L139 K140 S144 A145 F146 F195 W203E138-V142 WeakPolarHBondContact O-CG2 3.14Å; E138-V142 PolarHBondContact O-N 3.05Å; L139-V142 PolarHBondContact O-N 3.37Å; K140-V142 VanDerWaalsContact C-N 3.34Å; V142-S144 PolarHBondContact O-N 2.92Å; V142-A145 WeakPolarHBondContact O-CB 2.99Å; V142-A145 PolarHBondContact O-N 3.1Å; V142-A145 VanDerWaalsContact O-N 3.13Å; V142-F146 HydrophobicContact CG1-CD2 4.18Å; V142-F146 HydrophobicContact CG1-CE2 4.22Å; V142-F146 VanDerWaalsContact O-CD2 3.29Å; V142-F146 WeakPolarHBondContact O-CD2 3.27Å; V142-F146 PolarHBondContact O-N 2.92Å; V142-F146 VanDerWaalsContact O-N 3.13Å; V142-F195 HydrophobicContact CG1-CE1 4Å; V142-F195 HydrophobicContact CG1-CZ 3.91Å; V142-W203 HydrophobicContact CG1-CH2 4.35Å; V142-W203 HydrophobicContact CG1-CZ3 3.76Å
143F89.2Confident85.2Confident18 Ų1874 Ų748%0.07939%0.387CS..Hα-helixtrans-58-47.4175.7-176.6-89.2000111.5L139 K140 A145 F146 D147 G152 V154 F192 F195L139-F143 WeakPolarHBondContact O-CB 3.37Å; L139-F143 PolarHBondContact O-N 3.45Å; K140-F143 PolarHBondContact O-N 3.41Å; F143-A145 PolarHBondContact O-N 3.47Å; F143-F146 WeakPolarHBondContact O-CA 3.47Å; F143-F146 WeakPolarHBondContact O-CB 3.24Å; F143-F146 PolarHBondContact O-N 2.72Å; F143-D147 HydrophobicContact CD1-CB 4.29Å; F143-D147 HydrophobicContact CE1-CB 3.98Å; F143-D147 WeakPolarHBondContact O-CB 3.09Å; F143-D147 PolarHBondContact O-N 2.9Å; F143-G152 VanDerWaalsContact CZ-O 3.31Å; F143-G152 WeakPolarHBondContact CZ-O 3.17Å; F143-V154 HydrophobicContact CD2-CG2 3.9Å; F143-V154 HydrophobicContact CE1-CG2 4.46Å; F143-V154 HydrophobicContact CE2-CB 4.39Å; F143-V154 HydrophobicContact CE2-CG2 3.52Å; F143-V154 HydrophobicContact CZ-CG2 3.83Å; F143-F192 HydrophobicContact CB-CD2 3.94Å; F143-F192 HydrophobicContact CB-CE2 4.14Å; F143-F192 HydrophobicContact CD1-CD2 4.33Å; F143-F192 HydrophobicContact CD2-CB 4.46Å; F143-F192 AromaticContact CD2-CD2 3.89Å; F143-F192 HydrophobicContact CD2-CD2 3.89Å; F143-F192 HydrophobicContact CE2-CB 4.3Å; F143-F192 AromaticContact CG-CD2 3.78Å; F143-F192 HydrophobicContact CG-CD2 3.78Å; F143-F192 HydrophobicContact CG-CE2 4.47Å; F143-F195 HydrophobicContact CB-CD1 4.04Å; F143-F195 HydrophobicContact CB-CE1 3.99Å; F143-F195 HydrophobicContact CD2-CB 3.56Å; F143-F195 AromaticContact CD2-CD1 3.59Å; F143-F195 HydrophobicContact CD2-CD1 3.59Å; F143-F195 HydrophobicContact CD2-CD2 4.08Å; F143-F195 HydrophobicContact CD2-CE1 4.21Å; F143-F195 AromaticContact CD2-CG 3.49Å; F143-F195 HydrophobicContact CD2-CG 3.49Å; F143-F195 VanDerWaalsContact CD2-CG 3.49Å; F143-F195 HydrophobicContact CE2-CB 3.74Å; F143-F195 HydrophobicContact CE2-CD2 4.49Å; F143-F195 HydrophobicContact CE2-CG 4.06Å; F143-F195 HydrophobicContact CG-CD1 4.32Å
144S89.5Confident85.9Confident70 Ų7066.3 Ų66.349%0.4935%0.351SS..Hα-helixtrans-65.1-26.1177.1-178.70000113.1K140 E141 V142 F146K140-S144 WeakPolarHBondContact O-CB 3.14Å; K140-S144 PolarHBondContact O-N 3.05Å; E141-S144 PolarHBondContact O-N 2.96Å; V142-S144 PolarHBondContact O-N 2.92Å; S144-F146 VanDerWaalsContact C-N 3.3Å
145A87.5Confident87Confident55 Ų5562.6 Ų62.646%0.45533%0.334SS..Hα-helixtrans-76-2117200000112.9E141 V142 F143 T162E141-A145 PolarHBondContact O-N 3.06Å; V142-A145 WeakPolarHBondContact O-CB 2.99Å; V142-A145 PolarHBondContact O-N 3.1Å; V142-A145 VanDerWaalsContact O-N 3.13Å; F143-A145 PolarHBondContact O-N 3.47Å; A145-T162 PolarHBondContact O-OG1 3.02Å
146F88.7Confident87.8Confident12 Ų1260.5 Ų60.55%0.05333%0.326CS..Hα-helixtrans-84.5-52.8172.8-88.1-106.6000111V142 F143 S144 E148 V154 D158 V159 T162 V163 F195 W203V142-F146 HydrophobicContact CG1-CD2 4.18Å; V142-F146 HydrophobicContact CG1-CE2 4.22Å; V142-F146 VanDerWaalsContact O-CD2 3.29Å; V142-F146 WeakPolarHBondContact O-CD2 3.27Å; V142-F146 PolarHBondContact O-N 2.92Å; V142-F146 VanDerWaalsContact O-N 3.13Å; F143-F146 WeakPolarHBondContact O-CA 3.47Å; F143-F146 WeakPolarHBondContact O-CB 3.24Å; F143-F146 PolarHBondContact O-N 2.72Å; S144-F146 VanDerWaalsContact C-N 3.3Å; F146-E148 VanDerWaalsContact C-N 3.27Å; F146-E148 PolarHBondContact O-N 3.13Å; F146-V154 HydrophobicContact CB-CG1 4.02Å; F146-V154 HydrophobicContact CB-CG2 3.7Å; F146-V154 HydrophobicContact CD1-CG1 4.05Å; F146-V154 HydrophobicContact CG-CG1 4.5Å; F146-D158 VanDerWaalsContact O-CB 3.27Å; F146-D158 WeakPolarHBondContact O-CB 3.31Å; F146-V159 HydrophobicContact CD1-CG2 4.17Å; F146-V159 HydrophobicContact CE1-CB 4.45Å; F146-V159 HydrophobicContact CE1-CG1 4.41Å; F146-V159 HydrophobicContact CE1-CG2 4.37Å; F146-T162 HydrophobicContact CD1-CG2 4.36Å; F146-T162 HydrophobicContact CD2-CG2 3.61Å; F146-T162 HydrophobicContact CE1-CG2 4.1Å; F146-T162 HydrophobicContact CE2-CG2 3.28Å; F146-T162 HydrophobicContact CG-CG2 4.12Å; F146-T162 HydrophobicContact CZ-CG2 3.5Å; F146-T162 VanDerWaalsContact CZ-CG2 3.5Å; F146-V163 HydrophobicContact CE1-CG2 3.66Å; F146-V163 HydrophobicContact CZ-CG2 3.69Å; F146-F195 HydrophobicContact CB-CE2 3.98Å; F146-F195 HydrophobicContact CB-CZ 4.19Å; F146-F195 AromaticContact CD1-CE2 3.85Å; F146-F195 HydrophobicContact CD1-CE2 3.85Å; F146-F195 HydrophobicContact CD1-CZ 4.36Å; F146-F195 HydrophobicContact CD2-CE2 4.13Å; F146-F195 AromaticContact CD2-CZ 3.8Å; F146-F195 HydrophobicContact CD2-CZ 3.8Å; F146-F195 HydrophobicContact CE1-CE2 4.47Å; F146-F195 HydrophobicContact CE2-CZ 4.39Å; F146-F195 AromaticContact CG-CE2 3.68Å; F146-F195 HydrophobicContact CG-CE2 3.68Å; F146-F195 AromaticContact CG-CZ 3.82Å; F146-F195 HydrophobicContact CG-CZ 3.82Å; F146-W203 HydrophobicContact CD1-CH2 4.12Å; F146-W203 HydrophobicContact CD1-CZ2 4.48Å; F146-W203 AromaticContact CD2-CH2 3.84Å; F146-W203 HydrophobicContact CD2-CH2 3.84Å; F146-W203 AromaticContact CE1-CH2 3.47Å; F146-W203 HydrophobicContact CE1-CH2 3.47Å; F146-W203 VanDerWaalsContact CE1-CH2 3.47Å; F146-W203 AromaticContact CE1-CZ2 3.47Å; F146-W203 HydrophobicContact CE1-CZ2 3.47Å; F146-W203 VanDerWaalsContact CE1-CZ2 3.47Å; F146-W203 AromaticContact CE2-CH2 3.17Å; F146-W203 HydrophobicContact CE2-CH2 3.17Å; F146-W203 AromaticContact CE2-CZ2 3.71Å; F146-W203 HydrophobicContact CE2-CZ2 3.71Å; F146-W203 HydrophobicContact CE2-CZ3 4.08Å; F146-W203 HydrophobicContact CG-CH2 4.3Å; F146-W203 AromaticContact CZ-CH2 3Å; F146-W203 HydrophobicContact CZ-CH2 3Å; F146-W203 AromaticContact CZ-CZ2 3.04Å; F146-W203 HydrophobicContact CZ-CZ2 3.04Å; F146-W203 HydrophobicContact CZ-CZ3 4.23Å
147D90.5Very high88.2Confident10 Ų1064.8 Ų64.85%0.05334%0.343CS..  trans-68.477.1176.9178.99.4000110.8F143 D149 E150 D151 G152 V154F143-D147 HydrophobicContact CD1-CB 4.29Å; F143-D147 HydrophobicContact CE1-CB 3.98Å; F143-D147 WeakPolarHBondContact O-CB 3.09Å; F143-D147 PolarHBondContact O-N 2.9Å; D147-D149 VanDerWaalsContact C-N 3.35Å; D147-E150 PolarHBondContact O-N 2.88Å; D147-E150 WeakPolarHBondContact OD1-CA 3.21Å; D147-E150 PolarHBondContact OD1-N 3.49Å; D147-D151 PolarHBondContact OD1-N 3.47Å; D147-G152 WeakPolarHBondContact OD2-CA 3.24Å; D147-G152 PolarHBondContact OD2-N 3.46Å; D147-V154 HydrophobicContact CB-CG2 4.13Å
148E85.5Confident88.7Confident74 Ų7461.4 Ų61.435%0.34632%0.324SS..THydrogen-bonded Turntrans-73.8-23.4-175.1-72.1-166.1-176.900113.5F146 R161 K165F146-E148 VanDerWaalsContact C-N 3.27Å; F146-E148 PolarHBondContact O-N 3.13Å; E148-R161 WeakPolarHBondContact OE1-CD 3.1Å; E148-R161 WeakPolarHBondContact OE2-CD 3.49Å; E148-R161 IonicContact OE2-CZ 3.48Å; E148-R161 IonicContact OE2-NE 3.68Å; E148-R161 IonicContact OE2-NH1 2.61Å; E148-R161 PolarHBondContact OE2-NH1 3.47Å; E148-K165 IonicContact OE1-NZ 2.89Å; E148-K165 PolarHBondContact OE1-NZ 3.36Å
149D89.6Confident88.9Confident98 Ų9855.4 Ų55.452%0.52430%0.296SS..THydrogen-bonded Turntrans-92.6-0.3174.658.4-24.5000113.9D147 D151D147-D149 VanDerWaalsContact C-N 3.35Å; D149-D151 PolarHBondContact O-N 2.85Å
150E89.5Confident89.1Confident157 Ų15755.5 Ų55.573%0.73430%0.3SS*.  trans56.834.8175.4-57.7-179.6-179.800112.8D147 G152D147-E150 PolarHBondContact O-N 2.88Å; D147-E150 WeakPolarHBondContact OD1-CA 3.21Å; D147-E150 PolarHBondContact OD1-N 3.49Å; E150-G152 VanDerWaalsContact C-N 3.3Å
151D92.3Very high89Confident75 Ų7557 Ų5740%0.40130%0.304SS..SBendtrans-85.7-5179.685.2-15.8000112.9D147 D149 L153D147-D151 PolarHBondContact OD1-N 3.47Å; D149-D151 PolarHBondContact O-N 2.85Å; D151-L153 VanDerWaalsContact OD1-CA 3.32Å; D151-L153 WeakPolarHBondContact OD1-CA 3.38Å; D151-L153 VanDerWaalsContact OD1-CB 3.23Å; D151-L153 WeakPolarHBondContact OD1-CB 3.42Å; D151-L153 PolarHBondContact OD1-N 2.8Å; D151-L153 VanDerWaalsContact OD1-O 3.12Å
152G91.4Very high88.9Confident38 Ų3850.9 Ų50.939%0.39228%0.276SS..SBendtrans8410.8-177.500000113.5F143 D147 E150F143-G152 VanDerWaalsContact CZ-O 3.31Å; F143-G152 WeakPolarHBondContact CZ-O 3.17Å; D147-G152 WeakPolarHBondContact OD2-CA 3.24Å; D147-G152 PolarHBondContact OD2-N 3.46Å; E150-G152 VanDerWaalsContact C-N 3.3Å
153L92.8Very high88.8Confident43 Ų4348.3 Ų48.323%0.22526%0.261CS..  trans-132.5154.5-178.2-56170.2000110.2D151 Q189 L190 N191D151-L153 VanDerWaalsContact OD1-CA 3.32Å; D151-L153 WeakPolarHBondContact OD1-CA 3.38Å; D151-L153 VanDerWaalsContact OD1-CB 3.23Å; D151-L153 WeakPolarHBondContact OD1-CB 3.42Å; D151-L153 PolarHBondContact OD1-N 2.8Å; D151-L153 VanDerWaalsContact OD1-O 3.12Å; L153-Q189 HydrophobicContact CB-CB 4.15Å; L153-Q189 VanDerWaalsContact CD1-OE1 3.22Å; L153-L190 CarbonylContact C-O 3.59Å; L153-L190 WeakPolarHBondContact CA-O 3.5Å; L153-N191 HydrophobicContact CD2-CB 4.04Å
154V90.6Very high88.6Confident0 Ų048.6 Ų48.60%027%0.269CS..EExtended strand (participates in β ladder)trans-117.8115.8176.1171.90000108.8F143 F146 D147 D158 V159 Q189 L190 F195F143-V154 HydrophobicContact CD2-CG2 3.9Å; F143-V154 HydrophobicContact CE1-CG2 4.46Å; F143-V154 HydrophobicContact CE2-CB 4.39Å; F143-V154 HydrophobicContact CE2-CG2 3.52Å; F143-V154 HydrophobicContact CZ-CG2 3.83Å; F146-V154 HydrophobicContact CB-CG1 4.02Å; F146-V154 HydrophobicContact CB-CG2 3.7Å; F146-V154 HydrophobicContact CD1-CG1 4.05Å; F146-V154 HydrophobicContact CG-CG1 4.5Å; D147-V154 HydrophobicContact CB-CG2 4.13Å; V154-D158 HydrophobicContact CG1-CB 4.09Å; V154-V159 HydrophobicContact CG1-CG2 3.51Å; V154-Q189 CarbonylContact O-C 3.47Å; V154-Q189 WeakPolarHBondContact O-CA 3.45Å; V154-L190 HydrophobicContact CB-CB 4.38Å; V154-L190 PolarHBondContact N-O 3.34Å; V154-L190 PolarHBondContact O-N 3.28Å; V154-F195 HydrophobicContact CB-CD2 4.3Å; V154-F195 HydrophobicContact CG1-CD2 4.26Å; V154-F195 HydrophobicContact CG1-CE2 4.33Å; V154-F195 HydrophobicContact CG2-CD2 4.09Å; V154-F195 HydrophobicContact CG2-CE2 4.31Å
155N90.8Very high88.3Confident30 Ų3051.9 Ų51.916%0.1627%0.274CS..EExtended strand (participates in β ladder)trans-101.6174.8-178.374.858.3000112.5K157 D158 V159 I179 Q189N155-K157 VanDerWaalsContact C-N 3.25Å; N155-K157 PolarHBondContact O-N 2.98Å; N155-K157 WeakPolarHBondContact OD1-CA 3.44Å; N155-K157 VanDerWaalsContact OD1-CB 3.24Å; N155-K157 WeakPolarHBondContact OD1-CB 3.4Å; N155-K157 PolarHBondContact OD1-N 3.43Å; N155-D158 VanDerWaalsContact CG-CG 3.48Å; N155-D158 PolarHBondContact N-OD2 2.88Å; N155-D158 PolarHBondContact ND2-OD1 2.87Å; N155-D158 PolarHBondContact ND2-OD2 3Å; N155-D158 WeakPolarHBondContact O-CB 3.48Å; N155-D158 PolarHBondContact O-N 3.26Å; N155-D158 VanDerWaalsContact O-N 3.13Å; N155-D158 PolarHBondContact OD1-N 3.2Å; N155-D158 PolarHBondContact OD1-OD2 3Å; N155-V159 PolarHBondContact O-N 2.91Å; N155-V159 VanDerWaalsContact O-N 3.09Å; N155-I179 WeakPolarHBondContact O-CD1 3.42Å; N155-Q189 HydrophobicContact CB-CG 4.01Å
156V89.3Confident88Confident21 Ų2154.3 Ų54.313%0.12728%0.283CS..Hα-helixtrans-56.2-38.8-177.5179.60000112.4A160 E172 A175 H176 I179V156-A160 VanDerWaalsContact O-CB 3.3Å; V156-A160 WeakPolarHBondContact O-CB 3.4Å; V156-A160 PolarHBondContact O-N 2.67Å; V156-E172 HydrophobicContact CG1-CG 3.98Å; V156-A175 HydrophobicContact CG1-CB 3.89Å; V156-H176 HydrophobicContact CG1-CB 4.26Å; V156-I179 HydrophobicContact CB-CD1 4.13Å; V156-I179 HydrophobicContact CG2-CD1 3.74Å
157K89.3Confident87.6Confident138 Ų13856.9 Ų56.960%0.629%0.294SS*.Hα-helixtrans-70.7-36.9-179.1-60.4177.3179.3171.70111.3N155 R161N155-K157 VanDerWaalsContact C-N 3.25Å; N155-K157 PolarHBondContact O-N 2.98Å; N155-K157 WeakPolarHBondContact OD1-CA 3.44Å; N155-K157 VanDerWaalsContact OD1-CB 3.24Å; N155-K157 WeakPolarHBondContact OD1-CB 3.4Å; N155-K157 PolarHBondContact OD1-N 3.43Å; K157-R161 WeakPolarHBondContact O-CB 3.29Å; K157-R161 PolarHBondContact O-N 3.41Å
158D90.1Very high87.3Confident5 Ų561 Ų613%0.02733%0.329CS..Hα-helixtrans-63.5-48.2177.3-59.3-22000110.3F146 V154 N155 R161 T162F146-D158 VanDerWaalsContact O-CB 3.27Å; F146-D158 WeakPolarHBondContact O-CB 3.31Å; V154-D158 HydrophobicContact CG1-CB 4.09Å; N155-D158 VanDerWaalsContact CG-CG 3.48Å; N155-D158 PolarHBondContact N-OD2 2.88Å; N155-D158 PolarHBondContact ND2-OD1 2.87Å; N155-D158 PolarHBondContact ND2-OD2 3Å; N155-D158 WeakPolarHBondContact O-CB 3.48Å; N155-D158 PolarHBondContact O-N 3.26Å; N155-D158 VanDerWaalsContact O-N 3.13Å; N155-D158 PolarHBondContact OD1-N 3.2Å; N155-D158 PolarHBondContact OD1-OD2 3Å; D158-R161 PolarHBondContact O-N 3.03Å; D158-T162 WeakPolarHBondContact O-CB 3.49Å; D158-T162 PolarHBondContact O-N 2.99Å; D158-T162 PolarHBondContact O-OG1 3.22Å
159V86.7Confident87.1Confident0 Ų064.6 Ų64.60%035%0.351CS..Hα-helixtrans-61.9-50.9175.9-1790000110.9F146 V154 N155 R161 T162 V163 F170 A175 I179 F198F146-V159 HydrophobicContact CD1-CG2 4.17Å; F146-V159 HydrophobicContact CE1-CB 4.45Å; F146-V159 HydrophobicContact CE1-CG1 4.41Å; F146-V159 HydrophobicContact CE1-CG2 4.37Å; V154-V159 HydrophobicContact CG1-CG2 3.51Å; N155-V159 PolarHBondContact O-N 2.91Å; N155-V159 VanDerWaalsContact O-N 3.09Å; V159-R161 VanDerWaalsContact C-N 3.29Å; V159-R161 PolarHBondContact O-N 2.86Å; V159-T162 PolarHBondContact O-N 2.91Å; V159-V163 HydrophobicContact CG1-CG2 3.87Å; V159-V163 WeakPolarHBondContact O-CB 3.31Å; V159-V163 VanDerWaalsContact O-CG2 3.24Å; V159-V163 WeakPolarHBondContact O-CG2 3.49Å; V159-V163 PolarHBondContact O-N 3.24Å; V159-F170 HydrophobicContact CG1-CE1 3.89Å; V159-F170 HydrophobicContact CG1-CZ 4.03Å; V159-A175 HydrophobicContact CB-CB 4.22Å; V159-A175 HydrophobicContact CG1-CB 4.1Å; V159-I179 HydrophobicContact CG2-CD1 3.85Å; V159-I179 HydrophobicContact CG2-CG1 4.14Å; V159-F198 HydrophobicContact CG1-CZ 4.25Å
160A86.4Confident86.7Confident25 Ų2561.5 Ų61.521%0.20733%0.333CS..Hα-helixtrans-58.9-40.8-179.800000112.3V156 G164 A175V156-A160 VanDerWaalsContact O-CB 3.3Å; V156-A160 WeakPolarHBondContact O-CB 3.4Å; V156-A160 PolarHBondContact O-N 2.67Å; A160-G164 VanDerWaalsContact O-CA 3.27Å; A160-G164 WeakPolarHBondContact O-CA 3.49Å; A160-G164 PolarHBondContact O-N 2.76Å; A160-A175 HydrophobicContact CB-CB 3.95Å
161R86.7Confident86.5Confident124 Ų12457.2 Ų57.247%0.46832%0.318SS..Hα-helixtrans-71.1-50.6179.9-173.7-174.6-60.6166.917.1111.5E148 K157 D158 V159 K165E148-R161 WeakPolarHBondContact OE1-CD 3.1Å; E148-R161 WeakPolarHBondContact OE2-CD 3.49Å; E148-R161 IonicContact OE2-CZ 3.48Å; E148-R161 IonicContact OE2-NE 3.68Å; E148-R161 IonicContact OE2-NH1 2.61Å; E148-R161 PolarHBondContact OE2-NH1 3.47Å; K157-R161 WeakPolarHBondContact O-CB 3.29Å; K157-R161 PolarHBondContact O-N 3.41Å; D158-R161 PolarHBondContact O-N 3.03Å; V159-R161 VanDerWaalsContact C-N 3.29Å; V159-R161 PolarHBondContact O-N 2.86Å; R161-K165 WeakPolarHBondContact O-CG 3.26Å; R161-K165 PolarHBondContact O-N 2.86Å; R161-K165 VanDerWaalsContact O-N 3.13Å
162T85.7Confident86.3Confident17 Ų1759.8 Ų59.810%0.10433%0.328CS..Hα-helixtrans-74.9-40.9-173.6-62.60000111.9A145 F146 D158 V159 K165A145-T162 PolarHBondContact O-OG1 3.02Å; F146-T162 HydrophobicContact CD1-CG2 4.36Å; F146-T162 HydrophobicContact CD2-CG2 3.61Å; F146-T162 HydrophobicContact CE1-CG2 4.1Å; F146-T162 HydrophobicContact CE2-CG2 3.28Å; F146-T162 HydrophobicContact CG-CG2 4.12Å; F146-T162 HydrophobicContact CZ-CG2 3.5Å; F146-T162 VanDerWaalsContact CZ-CG2 3.5Å; D158-T162 WeakPolarHBondContact O-CB 3.49Å; D158-T162 PolarHBondContact O-N 2.99Å; D158-T162 PolarHBondContact O-OG1 3.22Å; V159-T162 PolarHBondContact O-N 2.91Å; T162-K165 PolarHBondContact O-N 2.65Å
163V83.5Confident86.1Confident5 Ų564.4 Ų64.43%0.0334%0.339CS..Hα-helixtrans-68.8-39.9172.5-176.70000110.5F146 V159 K165 V166 F167 F170 W203F146-V163 HydrophobicContact CE1-CG2 3.66Å; F146-V163 HydrophobicContact CZ-CG2 3.69Å; V159-V163 HydrophobicContact CG1-CG2 3.87Å; V159-V163 WeakPolarHBondContact O-CB 3.31Å; V159-V163 VanDerWaalsContact O-CG2 3.24Å; V159-V163 WeakPolarHBondContact O-CG2 3.49Å; V159-V163 PolarHBondContact O-N 3.24Å; V163-K165 PolarHBondContact O-N 3.08Å; V163-V166 CarbonylContact O-C 3.51Å; V163-V166 PolarHBondContact O-N 3.3Å; V163-F167 HydrophobicContact CG1-CB 4.46Å; V163-F167 HydrophobicContact CG1-CD2 3.7Å; V163-F167 HydrophobicContact CG1-CE2 4.49Å; V163-F167 PolarHBondContact O-N 2.97Å; V163-F170 HydrophobicContact CB-CD1 3.67Å; V163-F170 HydrophobicContact CB-CE1 3.83Å; V163-F170 HydrophobicContact CB-CG 4.05Å; V163-F170 HydrophobicContact CB-CZ 4.35Å; V163-F170 HydrophobicContact CG1-CB 3.96Å; V163-F170 HydrophobicContact CG1-CD1 3.63Å; V163-F170 HydrophobicContact CG1-CD2 3.67Å; V163-F170 HydrophobicContact CG1-CE1 3.95Å; V163-F170 HydrophobicContact CG1-CE2 3.99Å; V163-F170 HydrophobicContact CG1-CG 3.46Å; V163-F170 VanDerWaalsContact CG1-CG 3.46Å; V163-F170 HydrophobicContact CG1-CZ 4.12Å; V163-F170 HydrophobicContact CG2-CE1 4.26Å; V163-W203 HydrophobicContact CG2-CZ2 3.93Å
164G83.5Confident85.7Confident24 Ų2466.5 Ų66.525%0.24735%0.347CS..Hα-helixtrans-60.5-28.5177.700000114.4A160 V166 F167A160-G164 VanDerWaalsContact O-CA 3.27Å; A160-G164 WeakPolarHBondContact O-CA 3.49Å; A160-G164 PolarHBondContact O-N 2.76Å; G164-V166 PolarHBondContact O-N 3.22Å; G164-F167 WeakPolarHBondContact CA-O 3.47Å; G164-F167 CarbonylContact O-C 3.58Å
165K83.2Confident85.4Confident138 Ų13866.5 Ų66.560%0.635%0.347SS*.Hα-helixtrans-62.1-32.5171.4-72.3165.2-166.4163.80112.4E148 R161 T162 V163E148-K165 IonicContact OE1-NZ 2.89Å; E148-K165 PolarHBondContact OE1-NZ 3.36Å; R161-K165 WeakPolarHBondContact O-CG 3.26Å; R161-K165 PolarHBondContact O-N 2.86Å; R161-K165 VanDerWaalsContact O-N 3.13Å; T162-K165 PolarHBondContact O-N 2.65Å; V163-K165 PolarHBondContact O-N 3.08Å
166V81.7Confident85.3Confident107 Ų10769.3 Ų69.365%0.64836%0.359SS*.Hα-helixtrans-94.2-40.3-179-175.50000110.9V163 G164V163-V166 CarbonylContact O-C 3.51Å; V163-V166 PolarHBondContact O-N 3.3Å; G164-V166 PolarHBondContact O-N 3.22Å
167F81.7Confident85.1Confident66 Ų6673.3 Ų73.329%0.28938%0.377SS..  trans-122.892.5-176.2-57-77.3000109.9V163 G164 N169 F170 L208V163-F167 HydrophobicContact CG1-CB 4.46Å; V163-F167 HydrophobicContact CG1-CD2 3.7Å; V163-F167 HydrophobicContact CG1-CE2 4.49Å; V163-F167 PolarHBondContact O-N 2.97Å; G164-F167 WeakPolarHBondContact CA-O 3.47Å; G164-F167 CarbonylContact O-C 3.58Å; F167-N169 PolarHBondContact O-N 3.08Å; F167-F170 HydrophobicContact CB-CB 4.12Å; F167-F170 VanDerWaalsContact O-CB 3.27Å; F167-F170 WeakPolarHBondContact O-CB 3.28Å; F167-F170 PolarHBondContact O-N 3.37Å; F167-L208 HydrophobicContact CD2-CD2 4.46Å; F167-L208 WeakPolarHBondContact CE1-O 3.12Å; F167-L208 HydrophobicContact CE2-CD2 4.46Å; F167-L208 HydrophobicContact CZ-CB 4.45Å; F167-L208 WeakPolarHBondContact CZ-O 3.23Å
168A82.9Confident84.7Confident95 Ų9567 Ų6779%0.78535%0.351SS*.THydrogen-bonded Turntrans-58.3-19.2-173.400000115.3
169N82.6Confident84.5Confident150 Ų15066.8 Ų66.880%0.80235%0.35SS*.THydrogen-bonded Turntrans-95.8-0.1178.8-64.8-19000113.5F167 T171F167-N169 PolarHBondContact O-N 3.08Å; N169-T171 WeakPolarHBondContact O-CG2 3.32Å; N169-T171 PolarHBondContact O-N 2.84Å
170F81.3Confident84.3Confident33 Ų3370 Ų7015%0.14537%0.369CS..  trans-68.6120.9178.7-172.4-100.1000110V159 V163 F167 E174 A175V159-F170 HydrophobicContact CG1-CE1 3.89Å; V159-F170 HydrophobicContact CG1-CZ 4.03Å; V163-F170 HydrophobicContact CB-CD1 3.67Å; V163-F170 HydrophobicContact CB-CE1 3.83Å; V163-F170 HydrophobicContact CB-CG 4.05Å; V163-F170 HydrophobicContact CB-CZ 4.35Å; V163-F170 HydrophobicContact CG1-CB 3.96Å; V163-F170 HydrophobicContact CG1-CD1 3.63Å; V163-F170 HydrophobicContact CG1-CD2 3.67Å; V163-F170 HydrophobicContact CG1-CE1 3.95Å; V163-F170 HydrophobicContact CG1-CE2 3.99Å; V163-F170 HydrophobicContact CG1-CG 3.46Å; V163-F170 VanDerWaalsContact CG1-CG 3.46Å; V163-F170 HydrophobicContact CG1-CZ 4.12Å; V163-F170 HydrophobicContact CG2-CE1 4.26Å; F167-F170 HydrophobicContact CB-CB 4.12Å; F167-F170 VanDerWaalsContact O-CB 3.27Å; F167-F170 WeakPolarHBondContact O-CB 3.28Å; F167-F170 PolarHBondContact O-N 3.37Å; F170-E174 WeakPolarHBondContact CA-OE2 3.49Å; F170-E174 HydrophobicContact CD2-CB 4Å; F170-E174 HydrophobicContact CE2-CB 3.58Å; F170-E174 HydrophobicContact CZ-CB 3.93Å; F170-A175 HydrophobicContact CE1-CB 3.65Å; F170-A175 HydrophobicContact CZ-CB 4.12Å
171T84.4Confident83.9Confident68 Ų6871.2 Ų71.242%0.41738%0.384SS..  trans-94.1156.7-171.6630000112N169 Q173 E174 A175N169-T171 WeakPolarHBondContact O-CG2 3.32Å; N169-T171 PolarHBondContact O-N 2.84Å; T171-Q173 PolarHBondContact O-N 3.02Å; T171-E174 PolarHBondContact N-OE2 3.3Å; T171-E174 PolarHBondContact O-N 3.47Å; T171-E174 WeakPolarHBondContact OG1-CG 3.4Å; T171-E174 PolarHBondContact OG1-N 3.24Å; T171-E174 VanDerWaalsContact OG1-N 3.17Å; T171-E174 PolarHBondContact OG1-OE2 2.98Å; T171-A175 PolarHBondContact O-N 2.84Å
172E86.9Confident83.5Confident129 Ų12965.7 Ų65.760%0.60336%0.364SS*.Hα-helixtrans-60.5-28.8171.6-171174.7-175.700111.8V156 A175 H176V156-E172 HydrophobicContact CG1-CG 3.98Å; E172-A175 WeakPolarHBondContact O-CB 3.42Å; E172-A175 PolarHBondContact O-N 3.41Å; E172-H176 WeakPolarHBondContact O-CB 3.35Å; E172-H176 PolarHBondContact O-N 3.29Å
173Q87.5Confident83.1Confident135 Ų13565.8 Ų65.863%0.63136%0.364SS*.Hα-helixtrans-65.9-46.9173.9-175.6-178.7-28.200111.5T171 A175 H176 E177T171-Q173 PolarHBondContact O-N 3.02Å; Q173-A175 VanDerWaalsContact C-N 3.29Å; Q173-A175 PolarHBondContact O-N 3.38Å; Q173-H176 WeakPolarHBondContact O-CB 3.28Å; Q173-H176 PolarHBondContact O-N 3.36Å; Q173-H176 VanDerWaalsContact O-N 3.15Å; Q173-E177 PolarHBondContact NE2-OE1 3.12Å; Q173-E177 WeakPolarHBondContact O-CG 3.39Å; Q173-E177 PolarHBondContact O-N 3.4Å
174E84.5Confident82.5Confident86 Ų8672.8 Ų72.840%0.40239%0.394SS..Hα-helixtrans-63-36.9175.6-71.3162.813200111.6F170 T171 H176 E177 A178F170-E174 WeakPolarHBondContact CA-OE2 3.49Å; F170-E174 HydrophobicContact CD2-CB 4Å; F170-E174 HydrophobicContact CE2-CB 3.58Å; F170-E174 HydrophobicContact CZ-CB 3.93Å; T171-E174 PolarHBondContact N-OE2 3.3Å; T171-E174 PolarHBondContact O-N 3.47Å; T171-E174 WeakPolarHBondContact OG1-CG 3.4Å; T171-E174 PolarHBondContact OG1-N 3.24Å; T171-E174 VanDerWaalsContact OG1-N 3.17Å; T171-E174 PolarHBondContact OG1-OE2 2.98Å; E174-H176 VanDerWaalsContact C-N 3.35Å; E174-E177 PolarHBondContact O-N 2.93Å; E174-A178 WeakPolarHBondContact O-CB 3.42Å; E174-A178 PolarHBondContact O-N 3.38Å
175A85.6Confident81.8Confident0 Ų075 Ų750%040%0.403CS..Hα-helixtrans-61.1-43.5172.500000112V156 V159 A160 F170 T171 E172 Q173 A178 I179V156-A175 HydrophobicContact CG1-CB 3.89Å; V159-A175 HydrophobicContact CB-CB 4.22Å; V159-A175 HydrophobicContact CG1-CB 4.1Å; A160-A175 HydrophobicContact CB-CB 3.95Å; F170-A175 HydrophobicContact CE1-CB 3.65Å; F170-A175 HydrophobicContact CZ-CB 4.12Å; T171-A175 PolarHBondContact O-N 2.84Å; E172-A175 WeakPolarHBondContact O-CB 3.42Å; E172-A175 PolarHBondContact O-N 3.41Å; Q173-A175 VanDerWaalsContact C-N 3.29Å; Q173-A175 PolarHBondContact O-N 3.38Å; A175-A178 PolarHBondContact O-N 3.17Å; A175-I179 WeakPolarHBondContact O-CG1 3.5Å; A175-I179 PolarHBondContact O-N 2.74Å; A175-I179 VanDerWaalsContact O-N 3.1Å
176H87.5Confident81.2Confident89 Ų8974.5 Ų74.541%0.41241%0.411SS..Hα-helixtrans-66.8-42.7178-173.2-78.1000111.9V156 E172 Q173 E174 I179 T180V156-H176 HydrophobicContact CG1-CB 4.26Å; E172-H176 WeakPolarHBondContact O-CB 3.35Å; E172-H176 PolarHBondContact O-N 3.29Å; Q173-H176 WeakPolarHBondContact O-CB 3.28Å; Q173-H176 PolarHBondContact O-N 3.36Å; Q173-H176 VanDerWaalsContact O-N 3.15Å; E174-H176 VanDerWaalsContact C-N 3.35Å; H176-I179 PolarHBondContact O-N 3.11Å; H176-T180 WeakPolarHBondContact CE1-CG2 3.39Å; H176-T180 WeakPolarHBondContact O-CB 3.43Å; H176-T180 WeakPolarHBondContact O-CG2 3.37Å; H176-T180 PolarHBondContact O-N 3.03Å; H176-T180 PolarHBondContact O-OG1 2.68Å
177E85.1Confident81.2Confident105 Ų10572.6 Ų72.649%0.49140%0.398SS..Hα-helixtrans-61.7-43.2175.4-72.9174.6-16600111.5Q173 E174 I179 T180 G181Q173-E177 PolarHBondContact NE2-OE1 3.12Å; Q173-E177 WeakPolarHBondContact O-CG 3.39Å; Q173-E177 PolarHBondContact O-N 3.4Å; E174-E177 PolarHBondContact O-N 2.93Å; E177-I179 PolarHBondContact O-N 3.14Å; E177-T180 PolarHBondContact O-OG1 3.08Å; E177-G181 PolarHBondContact O-N 2.89Å; E177-G181 VanDerWaalsContact O-N 3.13Å
178A81.5Confident81.3Confident7 Ų773.2 Ų73.26%0.05840%0.404CS..Hα-helixtrans-59.1-46.2175.400000112.7E174 A175 F198E174-A178 WeakPolarHBondContact O-CB 3.42Å; E174-A178 PolarHBondContact O-N 3.38Å; A175-A178 PolarHBondContact O-N 3.17Å; A178-F198 HydrophobicContact CB-CD2 4.34Å; A178-F198 HydrophobicContact CB-CE2 3.58Å; A178-F198 HydrophobicContact CB-CZ 4.19Å
179I85.5Confident81.6Confident0 Ų071 Ų710%038%0.377CS..Hα-helixtrans-71.9-46.9-178.7-71.2-179.4000111.4N155 V156 V159 A175 H176 E177 G181 L182 D183 L190N155-I179 WeakPolarHBondContact O-CD1 3.42Å; V156-I179 HydrophobicContact CB-CD1 4.13Å; V156-I179 HydrophobicContact CG2-CD1 3.74Å; V159-I179 HydrophobicContact CG2-CD1 3.85Å; V159-I179 HydrophobicContact CG2-CG1 4.14Å; A175-I179 WeakPolarHBondContact O-CG1 3.5Å; A175-I179 PolarHBondContact O-N 2.74Å; A175-I179 VanDerWaalsContact O-N 3.1Å; H176-I179 PolarHBondContact O-N 3.11Å; E177-I179 PolarHBondContact O-N 3.14Å; I179-G181 PolarHBondContact O-N 3.4Å; I179-L182 PolarHBondContact O-N 3.27Å; I179-D183 HydrophobicContact CG2-CB 4.26Å; I179-D183 WeakPolarHBondContact O-CB 3.26Å; I179-D183 PolarHBondContact O-N 3.08Å; I179-L190 HydrophobicContact CG1-CD1 4.16Å; I179-L190 HydrophobicContact CG1-CG 4.19Å; I179-L190 HydrophobicContact CG2-CD2 4.24Å; I179-L190 HydrophobicContact CG2-CG 4.41Å
180T82.8Confident81.9Confident66 Ų6663.9 Ų63.941%0.40534%0.339SS..Hα-helixtrans-64.2-25.3-178.549.90000113.3H176 E177 L182H176-T180 WeakPolarHBondContact CE1-CG2 3.39Å; H176-T180 WeakPolarHBondContact O-CB 3.43Å; H176-T180 WeakPolarHBondContact O-CG2 3.37Å; H176-T180 PolarHBondContact O-N 3.03Å; H176-T180 PolarHBondContact O-OG1 2.68Å; E177-T180 PolarHBondContact O-OG1 3.08Å; T180-L182 VanDerWaalsContact C-N 3.27Å; T180-L182 PolarHBondContact O-N 3.43Å
181G78.8Confident82.3Confident52 Ų5264.6 Ų64.654%0.53635%0.345SS..THydrogen-bonded Turntrans-69-22171.700000114.4E177 I179E177-G181 PolarHBondContact O-N 2.89Å; E177-G181 VanDerWaalsContact O-N 3.13Å; I179-G181 PolarHBondContact O-N 3.4Å
182L76.9Confident82.4Confident8 Ų863.6 Ų63.64%0.04234%0.335CS..THydrogen-bonded Turntrans-122.1-25.3-167.9-67173.4000114.6I179 T180 K184 L190 K197 F198 Y202I179-L182 PolarHBondContact O-N 3.27Å; T180-L182 VanDerWaalsContact C-N 3.27Å; T180-L182 PolarHBondContact O-N 3.43Å; L182-K184 PolarHBondContact O-N 3.27Å; L182-K184 VanDerWaalsContact O-N 3.1Å; L182-L190 HydrophobicContact CB-CD2 3.74Å; L182-K197 HydrophobicContact CD2-CB 4.02Å; L182-F198 HydrophobicContact CD1-CB 3.29Å; L182-F198 HydrophobicContact CD1-CD2 3.49Å; L182-F198 VanDerWaalsContact CD1-CD2 3.49Å; L182-F198 HydrophobicContact CD1-CG 3.81Å; L182-Y202 HydrophobicContact CD1-CD2 3.84Å; L182-Y202 HydrophobicContact CD1-CE2 3.88Å; L182-Y202 HydrophobicContact CD2-CD2 4.41Å; L182-Y202 HydrophobicContact CD2-CE2 3.95Å; L182-Y202 HydrophobicContact CG-CD2 4.33Å; L182-Y202 HydrophobicContact CG-CE2 3.88Å
183D78.8Confident82.2Confident19 Ų1962 Ų6210%0.10233%0.327CS..  trans-65.5108.5175.9172.820.5000110.3I179 T185 T186 N187 N188 L190I179-D183 HydrophobicContact CG2-CB 4.26Å; I179-D183 WeakPolarHBondContact O-CB 3.26Å; I179-D183 PolarHBondContact O-N 3.08Å; D183-T185 WeakPolarHBondContact OD1-CA 3.5Å; D183-T185 PolarHBondContact OD1-N 3.08Å; D183-T185 PolarHBondContact OD1-OG1 3.41Å; D183-T186 PolarHBondContact OD1-N 2.79Å; D183-T186 VanDerWaalsContact OD2-C 3.29Å; D183-T186 WeakPolarHBondContact OD2-CA 3.2Å; D183-T186 PolarHBondContact OD2-N 3.07Å; D183-T186 VanDerWaalsContact OD2-N 3.15Å; D183-N187 PolarHBondContact OD1-OD1 3.16Å; D183-N187 PolarHBondContact OD2-N 3.23Å; D183-N187 PolarHBondContact OD2-OD1 3.23Å; D183-N188 VanDerWaalsContact OD2-CA 3.28Å; D183-N188 WeakPolarHBondContact OD2-CA 3.49Å; D183-N188 PolarHBondContact OD2-N 3.07Å; D183-L190 HydrophobicContact CB-CD2 4.15Å
184K68.9Low82.1Confident151 Ų15155.9 Ų55.966%0.65730%0.299SS*.SBendtrans-89.6-11.2175.3-59.3-167.8-179.9-172.30113.1L182L182-K184 PolarHBondContact O-N 3.27Å; L182-K184 VanDerWaalsContact O-N 3.1Å
185T70.4Confident82Confident72 Ų7251.8 Ų51.844%0.44228%0.28SS..SBendtrans-99.9-1.6-175.254.60000113.6D183 N187D183-T185 WeakPolarHBondContact OD1-CA 3.5Å; D183-T185 PolarHBondContact OD1-N 3.08Å; D183-T185 PolarHBondContact OD1-OG1 3.41Å; T185-N187 PolarHBondContact O-N 2.89Å; T185-N187 VanDerWaalsContact O-N 3.16Å; T185-N187 PolarHBondContact OG1-OD1 3.37Å
186T70.4Confident81.8Confident126 Ų12653.6 Ų53.677%0.77329%0.287SS*.SBendtrans5920.9174.962.10000114.5D183D183-T186 PolarHBondContact OD1-N 2.79Å; D183-T186 VanDerWaalsContact OD2-C 3.29Å; D183-T186 WeakPolarHBondContact OD2-CA 3.2Å; D183-T186 PolarHBondContact OD2-N 3.07Å; D183-T186 VanDerWaalsContact OD2-N 3.15Å
187N82Confident81.1Confident68 Ų6852.1 Ų52.136%0.36428%0.279SS..SBendtrans-96.92.5176.666.4-10.9000112.9D183 T185 Q189D183-N187 PolarHBondContact OD1-OD1 3.16Å; D183-N187 PolarHBondContact OD2-N 3.23Å; D183-N187 PolarHBondContact OD2-OD1 3.23Å; T185-N187 PolarHBondContact O-N 2.89Å; T185-N187 VanDerWaalsContact O-N 3.16Å; T185-N187 PolarHBondContact OG1-OD1 3.37Å; N187-Q189 PolarHBondContact ND2-OE1 2.9Å; N187-Q189 PolarHBondContact O-N 3.47Å; N187-Q189 PolarHBondContact OD1-N 3.41Å; N187-Q189 PolarHBondContact OD1-O 3.27Å; N187-Q189 VanDerWaalsContact OD1-O 3.12Å
188N83.2Confident80.6Confident79 Ų7947.4 Ų47.442%0.42226%0.257SS..SBendtrans56.933.9-171.9-57.4-51.2000113.3D183D183-N188 VanDerWaalsContact OD2-CA 3.28Å; D183-N188 WeakPolarHBondContact OD2-CA 3.49Å; D183-N188 PolarHBondContact OD2-N 3.07Å
189Q88.7Confident80.1Confident47 Ų4747.9 Ų47.922%0.2226%0.259CS..EExtended strand (participates in β ladder)trans-135.7149.5176.2-58.8175.7-53.300110.1L153 V154 N155 N187L153-Q189 HydrophobicContact CB-CB 4.15Å; L153-Q189 VanDerWaalsContact CD1-OE1 3.22Å; V154-Q189 CarbonylContact O-C 3.47Å; V154-Q189 WeakPolarHBondContact O-CA 3.45Å; N155-Q189 HydrophobicContact CB-CG 4.01Å; N187-Q189 PolarHBondContact ND2-OE1 2.9Å; N187-Q189 PolarHBondContact O-N 3.47Å; N187-Q189 PolarHBondContact OD1-N 3.41Å; N187-Q189 PolarHBondContact OD1-O 3.27Å; N187-Q189 VanDerWaalsContact OD1-O 3.12Å
190L89.5Confident79.1Confident1 Ų150.2 Ų50.21%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-102.5121.8176.2-53.7-179.2000109.3L153 V154 I179 L182 D183 D194 F195 F198L153-L190 CarbonylContact C-O 3.59Å; L153-L190 WeakPolarHBondContact CA-O 3.5Å; V154-L190 HydrophobicContact CB-CB 4.38Å; V154-L190 PolarHBondContact N-O 3.34Å; V154-L190 PolarHBondContact O-N 3.28Å; I179-L190 HydrophobicContact CG1-CD1 4.16Å; I179-L190 HydrophobicContact CG1-CG 4.19Å; I179-L190 HydrophobicContact CG2-CD2 4.24Å; I179-L190 HydrophobicContact CG2-CG 4.41Å; L182-L190 HydrophobicContact CB-CD2 3.74Å; D183-L190 HydrophobicContact CB-CD2 4.15Å; L190-D194 HydrophobicContact CB-CB 4.13Å; L190-D194 HydrophobicContact CD2-CB 3.94Å; L190-F195 HydrophobicContact CB-CB 4.39Å; L190-F198 HydrophobicContact CD1-CB 4.21Å; L190-F198 HydrophobicContact CD1-CG 4.39Å
191N89.4Confident78.2Confident49 Ų4952.6 Ų52.626%0.26228%0.28SS..  trans-72.2173.4160.663.656.8000110L153 E193 D194 F195L153-N191 HydrophobicContact CD2-CB 4.04Å; N191-E193 VanDerWaalsContact C-N 3.3Å; N191-E193 PolarHBondContact O-N 3.19Å; N191-E193 WeakPolarHBondContact OD1-CA 3.07Å; N191-E193 WeakPolarHBondContact OD1-CB 3.34Å; N191-E193 PolarHBondContact OD1-N 3.38Å; N191-D194 PolarHBondContact ND2-OD2 3.35Å; N191-D194 PolarHBondContact O-N 2.99Å; N191-D194 PolarHBondContact OD1-N 2.79Å; N191-D194 PolarHBondContact OD1-OD2 2.93Å; N191-F195 WeakPolarHBondContact O-CB 3.28Å; N191-F195 PolarHBondContact O-N 3.14Å
192F87.3Confident77.3Confident47 Ų4754.7 Ų54.721%0.20627%0.272CS..Hα-helixtrans-54.7-38.7-179.7-177.1-103.5000114.6L136 L139 K140 F143 R196L136-F192 HydrophobicContact CD1-CE1 3.63Å; L136-F192 HydrophobicContact CD1-CZ 3.76Å; L136-F192 HydrophobicContact CG-CE1 4.4Å; L136-F192 HydrophobicContact CG-CZ 4.31Å; L139-F192 HydrophobicContact CB-CE2 4.5Å; L139-F192 HydrophobicContact CB-CZ 4.39Å; L139-F192 HydrophobicContact CD2-CE2 4.23Å; L139-F192 HydrophobicContact CD2-CZ 3.9Å; L139-F192 HydrophobicContact CG-CE2 3.96Å; L139-F192 HydrophobicContact CG-CZ 4.04Å; K140-F192 HydrophobicContact CB-CE2 4.24Å; K140-F192 HydrophobicContact CG-CD2 4.42Å; K140-F192 HydrophobicContact CG-CE2 3.56Å; K140-F192 HydrophobicContact CG-CZ 3.6Å; F143-F192 HydrophobicContact CB-CD2 3.94Å; F143-F192 HydrophobicContact CB-CE2 4.14Å; F143-F192 HydrophobicContact CD1-CD2 4.33Å; F143-F192 HydrophobicContact CD2-CB 4.46Å; F143-F192 AromaticContact CD2-CD2 3.89Å; F143-F192 HydrophobicContact CD2-CD2 3.89Å; F143-F192 HydrophobicContact CE2-CB 4.3Å; F143-F192 AromaticContact CG-CD2 3.78Å; F143-F192 HydrophobicContact CG-CD2 3.78Å; F143-F192 HydrophobicContact CG-CE2 4.47Å; F192-R196 WeakPolarHBondContact O-CB 3.45Å; F192-R196 PolarHBondContact O-N 3.44Å
193E82.7Confident76.4Confident95 Ų9556.9 Ų56.944%0.44428%0.28SS..Hα-helixtrans-72.8-27.3178.4-75.3-65.9158.200113.2N191 R196 K197N191-E193 VanDerWaalsContact C-N 3.3Å; N191-E193 PolarHBondContact O-N 3.19Å; N191-E193 WeakPolarHBondContact OD1-CA 3.07Å; N191-E193 WeakPolarHBondContact OD1-CB 3.34Å; N191-E193 PolarHBondContact OD1-N 3.38Å; E193-R196 IonicContact OE1-NH1 2.99Å; E193-R196 IonicContact OE2-CZ 3Å; E193-R196 IonicContact OE2-NH1 3.89Å; E193-R196 PolarHBondContact OE2-NH1 3.08Å; E193-K197 PolarHBondContact O-NZ 2.77Å
194D83.8Confident75.2Confident6 Ų663.3 Ų63.33%0.03231%0.307CS..Hα-helixtrans-80.7-38.8173.3-64-36.8000110.9L190 N191 R196 K197 F198L190-D194 HydrophobicContact CB-CB 4.13Å; L190-D194 HydrophobicContact CD2-CB 3.94Å; N191-D194 PolarHBondContact ND2-OD2 3.35Å; N191-D194 PolarHBondContact O-N 2.99Å; N191-D194 PolarHBondContact OD1-N 2.79Å; N191-D194 PolarHBondContact OD1-OD2 2.93Å; D194-R196 VanDerWaalsContact C-N 3.3Å; D194-R196 PolarHBondContact O-N 2.97Å; D194-K197 WeakPolarHBondContact O-CB 3.4Å; D194-K197 PolarHBondContact O-N 3.11Å; D194-K197 VanDerWaalsContact O-N 3.11Å; D194-K197 IonicContact OD1-NZ 3Å; D194-K197 PolarHBondContact OD1-NZ 3.44Å; D194-F198 PolarHBondContact O-N 3.07Å
195F84.1Confident74.1Confident0 Ų061 Ų610%030%0.302CS..Hα-helixtrans-62.3-36.3171.7-173.3-96.1000112.4L139 V142 F143 F146 V154 L190 N191 K197 F198 T199 W203L139-F195 HydrophobicContact CD1-CD1 4.03Å; L139-F195 HydrophobicContact CD1-CE1 3.99Å; V142-F195 HydrophobicContact CG1-CE1 4Å; V142-F195 HydrophobicContact CG1-CZ 3.91Å; F143-F195 HydrophobicContact CB-CD1 4.04Å; F143-F195 HydrophobicContact CB-CE1 3.99Å; F143-F195 HydrophobicContact CD2-CB 3.56Å; F143-F195 AromaticContact CD2-CD1 3.59Å; F143-F195 HydrophobicContact CD2-CD1 3.59Å; F143-F195 HydrophobicContact CD2-CD2 4.08Å; F143-F195 HydrophobicContact CD2-CE1 4.21Å; F143-F195 AromaticContact CD2-CG 3.49Å; F143-F195 HydrophobicContact CD2-CG 3.49Å; F143-F195 VanDerWaalsContact CD2-CG 3.49Å; F143-F195 HydrophobicContact CE2-CB 3.74Å; F143-F195 HydrophobicContact CE2-CD2 4.49Å; F143-F195 HydrophobicContact CE2-CG 4.06Å; F143-F195 HydrophobicContact CG-CD1 4.32Å; F146-F195 HydrophobicContact CB-CE2 3.98Å; F146-F195 HydrophobicContact CB-CZ 4.19Å; F146-F195 AromaticContact CD1-CE2 3.85Å; F146-F195 HydrophobicContact CD1-CE2 3.85Å; F146-F195 HydrophobicContact CD1-CZ 4.36Å; F146-F195 HydrophobicContact CD2-CE2 4.13Å; F146-F195 AromaticContact CD2-CZ 3.8Å; F146-F195 HydrophobicContact CD2-CZ 3.8Å; F146-F195 HydrophobicContact CE1-CE2 4.47Å; F146-F195 HydrophobicContact CE2-CZ 4.39Å; F146-F195 AromaticContact CG-CE2 3.68Å; F146-F195 HydrophobicContact CG-CE2 3.68Å; F146-F195 AromaticContact CG-CZ 3.82Å; F146-F195 HydrophobicContact CG-CZ 3.82Å; V154-F195 HydrophobicContact CB-CD2 4.3Å; V154-F195 HydrophobicContact CG1-CD2 4.26Å; V154-F195 HydrophobicContact CG1-CE2 4.33Å; V154-F195 HydrophobicContact CG2-CD2 4.09Å; V154-F195 HydrophobicContact CG2-CE2 4.31Å; L190-F195 HydrophobicContact CB-CB 4.39Å; N191-F195 WeakPolarHBondContact O-CB 3.28Å; N191-F195 PolarHBondContact O-N 3.14Å; F195-K197 VanDerWaalsContact C-N 3.27Å; F195-K197 PolarHBondContact O-N 3.14Å; F195-F198 HydrophobicContact CD2-CD1 4.06Å; F195-F198 AromaticContact CE2-CD1 4Å; F195-F198 HydrophobicContact CE2-CD1 4Å; F195-F198 HydrophobicContact CE2-CE1 4.46Å; F195-F198 WeakPolarHBondContact O-CA 3.48Å; F195-F198 WeakPolarHBondContact O-CB 3.26Å; F195-F198 PolarHBondContact O-N 3.21Å; F195-F198 VanDerWaalsContact O-N 3.1Å; F195-T199 HydrophobicContact CD1-CG2 3.76Å; F195-T199 HydrophobicContact CE1-CG2 3.5Å; F195-T199 VanDerWaalsContact CE1-CG2 3.5Å; F195-T199 HydrophobicContact CZ-CG2 4.04Å; F195-T199 VanDerWaalsContact O-CG2 3.3Å; F195-T199 WeakPolarHBondContact O-CG2 3.21Å; F195-T199 PolarHBondContact O-N 3.45Å; F195-W203 HydrophobicContact CE1-CZ3 4.07Å; F195-W203 AromaticContact CE2-CH2 3.78Å; F195-W203 HydrophobicContact CE2-CH2 3.78Å; F195-W203 HydrophobicContact CE2-CZ3 4.09Å; F195-W203 AromaticContact CZ-CH2 3.53Å; F195-W203 HydrophobicContact CZ-CH2 3.53Å; F195-W203 AromaticContact CZ-CZ3 3.48Å; F195-W203 HydrophobicContact CZ-CZ3 3.48Å; F195-W203 VanDerWaalsContact CZ-CZ3 3.48Å
196R81Confident72.9Confident39 Ų3964.8 Ų64.815%0.14731%0.314CS..Hα-helixtrans-59.1-38.1172.9178.8174149.7-151.55.1113.1T128 K129 P131 L139 F192 E193 D194 T199 T200T128-R196 PolarHBondContact O-NH2 3.39Å; K129-R196 VanDerWaalsContact C-NH2 3.3Å; K129-R196 PolarHBondContact O-NH2 3.16Å; P131-R196 VanDerWaalsContact CD-NH2 3.28Å; L139-R196 HydrophobicContact CD2-CB 3.61Å; L139-R196 HydrophobicContact CD2-CG 3.55Å; F192-R196 WeakPolarHBondContact O-CB 3.45Å; F192-R196 PolarHBondContact O-N 3.44Å; E193-R196 IonicContact OE1-NH1 2.99Å; E193-R196 IonicContact OE2-CZ 3Å; E193-R196 IonicContact OE2-NH1 3.89Å; E193-R196 PolarHBondContact OE2-NH1 3.08Å; D194-R196 VanDerWaalsContact C-N 3.3Å; D194-R196 PolarHBondContact O-N 2.97Å; R196-T199 PolarHBondContact O-OG1 2.89Å; R196-T199 VanDerWaalsContact O-OG1 3.07Å; R196-T200 PolarHBondContact O-N 2.86Å; R196-T200 PolarHBondContact O-OG1 2.81Å; R196-T200 VanDerWaalsContact O-OG1 3.07Å
197K72.8Confident71.7Confident58 Ų5862.4 Ų62.425%0.25231%0.308SS..Hα-helixtrans-68.7-41.7173.6-61.9-177.8-156.683.30110.2L182 E193 D194 F195 T199 T200 E201L182-K197 HydrophobicContact CD2-CB 4.02Å; E193-K197 PolarHBondContact O-NZ 2.77Å; D194-K197 WeakPolarHBondContact O-CB 3.4Å; D194-K197 PolarHBondContact O-N 3.11Å; D194-K197 VanDerWaalsContact O-N 3.11Å; D194-K197 IonicContact OD1-NZ 3Å; D194-K197 PolarHBondContact OD1-NZ 3.44Å; F195-K197 VanDerWaalsContact C-N 3.27Å; F195-K197 PolarHBondContact O-N 3.14Å; K197-T199 VanDerWaalsContact C-N 3.32Å; K197-T199 PolarHBondContact O-N 2.78Å; K197-T200 PolarHBondContact O-N 2.77Å; K197-T200 VanDerWaalsContact O-N 3.12Å; K197-E201 WeakPolarHBondContact O-CB 3.17Å; K197-E201 PolarHBondContact O-N 3.2Å
198F73.3Confident70Confident5 Ų561.4 Ų61.42%0.02230%0.302CS..Hα-helixtrans-51.9-50.3173.7-177.6-125.9000112.3V159 A178 L182 L190 D194 F195 T200 Y202 W203V159-F198 HydrophobicContact CG1-CZ 4.25Å; A178-F198 HydrophobicContact CB-CD2 4.34Å; A178-F198 HydrophobicContact CB-CE2 3.58Å; A178-F198 HydrophobicContact CB-CZ 4.19Å; L182-F198 HydrophobicContact CD1-CB 3.29Å; L182-F198 HydrophobicContact CD1-CD2 3.49Å; L182-F198 VanDerWaalsContact CD1-CD2 3.49Å; L182-F198 HydrophobicContact CD1-CG 3.81Å; L190-F198 HydrophobicContact CD1-CB 4.21Å; L190-F198 HydrophobicContact CD1-CG 4.39Å; D194-F198 PolarHBondContact O-N 3.07Å; F195-F198 HydrophobicContact CD2-CD1 4.06Å; F195-F198 AromaticContact CE2-CD1 4Å; F195-F198 HydrophobicContact CE2-CD1 4Å; F195-F198 HydrophobicContact CE2-CE1 4.46Å; F195-F198 WeakPolarHBondContact O-CA 3.48Å; F195-F198 WeakPolarHBondContact O-CB 3.26Å; F195-F198 PolarHBondContact O-N 3.21Å; F195-F198 VanDerWaalsContact O-N 3.1Å; F198-T200 VanDerWaalsContact C-N 3.27Å; F198-T200 PolarHBondContact O-N 2.91Å; F198-Y202 HydrophobicContact CD2-CD2 4.07Å; F198-Y202 HydrophobicContact CD2-CG 4.03Å; F198-Y202 HydrophobicContact CE2-CG 4.18Å; F198-Y202 WeakPolarHBondContact O-CA 3.44Å; F198-Y202 WeakPolarHBondContact O-CB 3.46Å; F198-Y202 PolarHBondContact O-N 3.24Å; F198-W203 HydrophobicContact CD1-CD2 4.34Å; F198-W203 HydrophobicContact CD1-CE3 4.41Å; F198-W203 AromaticContact CD1-CH2 3.92Å; F198-W203 HydrophobicContact CD1-CH2 3.92Å; F198-W203 AromaticContact CD1-CZ2 3.96Å; F198-W203 HydrophobicContact CD1-CZ2 3.96Å; F198-W203 HydrophobicContact CD1-CZ3 4.21Å; F198-W203 HydrophobicContact CE1-CD2 4.03Å; F198-W203 AromaticContact CE1-CE2 3.41Å; F198-W203 VanDerWaalsContact CE1-CE2 3.41Å; F198-W203 HydrophobicContact CE1-CE3 4.43Å; F198-W203 AromaticContact CE1-CH2 3.53Å; F198-W203 HydrophobicContact CE1-CH2 3.53Å; F198-W203 AromaticContact CE1-CZ2 3.15Å; F198-W203 HydrophobicContact CE1-CZ2 3.15Å; F198-W203 HydrophobicContact CE1-CZ3 4.2Å; F198-W203 AromaticContact CE1-NE1 3.87Å; F198-W203 AromaticContact CZ-CE2 3.81Å; F198-W203 AromaticContact CZ-CZ2 3.87Å; F198-W203 HydrophobicContact CZ-CZ2 3.87Å; F198-W203 AromaticContact CZ-NE1 3.75Å; F198-W203 PolarHBondContact O-N 2.91Å
199T71.1Confident68Low17 Ų1764.7 Ų64.710%0.10432%0.315CS..Iπ-helixtrans-68.1-29.5-177.467.80000112.8L139 F195 R196 K197 W203 K204L139-T199 HydrophobicContact CD1-CG2 3.44Å; L139-T199 VanDerWaalsContact CD1-CG2 3.44Å; L139-T199 WeakPolarHBondContact CD1-OG1 3.26Å; F195-T199 HydrophobicContact CD1-CG2 3.76Å; F195-T199 HydrophobicContact CE1-CG2 3.5Å; F195-T199 VanDerWaalsContact CE1-CG2 3.5Å; F195-T199 HydrophobicContact CZ-CG2 4.04Å; F195-T199 VanDerWaalsContact O-CG2 3.3Å; F195-T199 WeakPolarHBondContact O-CG2 3.21Å; F195-T199 PolarHBondContact O-N 3.45Å; R196-T199 PolarHBondContact O-OG1 2.89Å; R196-T199 VanDerWaalsContact O-OG1 3.07Å; K197-T199 VanDerWaalsContact C-N 3.32Å; K197-T199 PolarHBondContact O-N 2.78Å; T199-W203 HydrophobicContact CG2-CD2 4.44Å; T199-W203 HydrophobicContact CG2-CE3 3.31Å; T199-W203 HydrophobicContact CG2-CH2 4.5Å; T199-W203 HydrophobicContact CG2-CZ3 3.34Å; T199-W203 WeakPolarHBondContact O-CB 3.11Å; T199-K204 WeakPolarHBondContact O-CG 3.33Å; T199-K204 PolarHBondContact O-N 2.7Å; T199-K204 VanDerWaalsContact O-N 3.14Å
200T65.8Low65.2Low49 Ų4969.7 Ų69.730%0.30134%0.336SS..Iπ-helixtrans-86.6-36.9-177.8-58.20000113.1R196 K197 F198 K204R196-T200 PolarHBondContact O-N 2.86Å; R196-T200 PolarHBondContact O-OG1 2.81Å; R196-T200 VanDerWaalsContact O-OG1 3.07Å; K197-T200 PolarHBondContact O-N 2.77Å; K197-T200 VanDerWaalsContact O-N 3.12Å; F198-T200 VanDerWaalsContact C-N 3.27Å; F198-T200 PolarHBondContact O-N 2.91Å; T200-K204 HydrophobicContact CG2-CD 4.26Å
201E63.7Low62.8Low116 Ų11675.3 Ų75.354%0.54237%0.373SS..Iπ-helixtrans-93.2-36.4-175.2-64.9179.2179.200112.6K197K197-E201 WeakPolarHBondContact O-CB 3.17Å; K197-E201 PolarHBondContact O-N 3.2Å
202Y58.5Low60.1Low97 Ų9775.9 Ų75.938%0.3839%0.39SS..Iπ-helixtrans-105.3-35.2-175.5-73.3-96.8000113.6L182 F198L182-Y202 HydrophobicContact CD1-CD2 3.84Å; L182-Y202 HydrophobicContact CD1-CE2 3.88Å; L182-Y202 HydrophobicContact CD2-CD2 4.41Å; L182-Y202 HydrophobicContact CD2-CE2 3.95Å; L182-Y202 HydrophobicContact CG-CD2 4.33Å; L182-Y202 HydrophobicContact CG-CE2 3.88Å; F198-Y202 HydrophobicContact CD2-CD2 4.07Å; F198-Y202 HydrophobicContact CD2-CG 4.03Å; F198-Y202 HydrophobicContact CE2-CG 4.18Å; F198-Y202 WeakPolarHBondContact O-CA 3.44Å; F198-Y202 WeakPolarHBondContact O-CB 3.46Å; F198-Y202 PolarHBondContact O-N 3.24Å
203W58.6Low57.5Low54 Ų5478.5 Ų78.521%0.20541%0.414CS..Iπ-helixtrans-92.1-27.2-178.8-80.6-18.2000116.1V142 F146 V163 F195 F198 T199 D205 L208V142-W203 HydrophobicContact CG1-CH2 4.35Å; V142-W203 HydrophobicContact CG1-CZ3 3.76Å; F146-W203 HydrophobicContact CD1-CH2 4.12Å; F146-W203 HydrophobicContact CD1-CZ2 4.48Å; F146-W203 AromaticContact CD2-CH2 3.84Å; F146-W203 HydrophobicContact CD2-CH2 3.84Å; F146-W203 AromaticContact CE1-CH2 3.47Å; F146-W203 HydrophobicContact CE1-CH2 3.47Å; F146-W203 VanDerWaalsContact CE1-CH2 3.47Å; F146-W203 AromaticContact CE1-CZ2 3.47Å; F146-W203 HydrophobicContact CE1-CZ2 3.47Å; F146-W203 VanDerWaalsContact CE1-CZ2 3.47Å; F146-W203 AromaticContact CE2-CH2 3.17Å; F146-W203 HydrophobicContact CE2-CH2 3.17Å; F146-W203 AromaticContact CE2-CZ2 3.71Å; F146-W203 HydrophobicContact CE2-CZ2 3.71Å; F146-W203 HydrophobicContact CE2-CZ3 4.08Å; F146-W203 HydrophobicContact CG-CH2 4.3Å; F146-W203 AromaticContact CZ-CH2 3Å; F146-W203 HydrophobicContact CZ-CH2 3Å; F146-W203 AromaticContact CZ-CZ2 3.04Å; F146-W203 HydrophobicContact CZ-CZ2 3.04Å; F146-W203 HydrophobicContact CZ-CZ3 4.23Å; V163-W203 HydrophobicContact CG2-CZ2 3.93Å; F195-W203 HydrophobicContact CE1-CZ3 4.07Å; F195-W203 AromaticContact CE2-CH2 3.78Å; F195-W203 HydrophobicContact CE2-CH2 3.78Å; F195-W203 HydrophobicContact CE2-CZ3 4.09Å; F195-W203 AromaticContact CZ-CH2 3.53Å; F195-W203 HydrophobicContact CZ-CH2 3.53Å; F195-W203 AromaticContact CZ-CZ3 3.48Å; F195-W203 HydrophobicContact CZ-CZ3 3.48Å; F195-W203 VanDerWaalsContact CZ-CZ3 3.48Å; F198-W203 HydrophobicContact CD1-CD2 4.34Å; F198-W203 HydrophobicContact CD1-CE3 4.41Å; F198-W203 AromaticContact CD1-CH2 3.92Å; F198-W203 HydrophobicContact CD1-CH2 3.92Å; F198-W203 AromaticContact CD1-CZ2 3.96Å; F198-W203 HydrophobicContact CD1-CZ2 3.96Å; F198-W203 HydrophobicContact CD1-CZ3 4.21Å; F198-W203 HydrophobicContact CE1-CD2 4.03Å; F198-W203 AromaticContact CE1-CE2 3.41Å; F198-W203 VanDerWaalsContact CE1-CE2 3.41Å; F198-W203 HydrophobicContact CE1-CE3 4.43Å; F198-W203 AromaticContact CE1-CH2 3.53Å; F198-W203 HydrophobicContact CE1-CH2 3.53Å; F198-W203 AromaticContact CE1-CZ2 3.15Å; F198-W203 HydrophobicContact CE1-CZ2 3.15Å; F198-W203 HydrophobicContact CE1-CZ3 4.2Å; F198-W203 AromaticContact CE1-NE1 3.87Å; F198-W203 AromaticContact CZ-CE2 3.81Å; F198-W203 AromaticContact CZ-CZ2 3.87Å; F198-W203 HydrophobicContact CZ-CZ2 3.87Å; F198-W203 AromaticContact CZ-NE1 3.75Å; F198-W203 PolarHBondContact O-N 2.91Å; T199-W203 HydrophobicContact CG2-CD2 4.44Å; T199-W203 HydrophobicContact CG2-CE3 3.31Å; T199-W203 HydrophobicContact CG2-CH2 4.5Å; T199-W203 HydrophobicContact CG2-CZ3 3.34Å; T199-W203 WeakPolarHBondContact O-CB 3.11Å; W203-D205 VanDerWaalsContact C-N 3.28Å; W203-L208 VanDerWaalsContact CD1-CD1 3.45Å
204K53.5Low54.9Low153 Ų15381.9 Ų81.967%0.66543%0.43SS*.SBendtrans-74.1-23.1174.1-76.1-179.6-174.2166.90112.4T199 T200 E206T199-K204 WeakPolarHBondContact O-CG 3.33Å; T199-K204 PolarHBondContact O-N 2.7Å; T199-K204 VanDerWaalsContact O-N 3.14Å; T200-K204 HydrophobicContact CG2-CD 4.26Å; K204-E206 PolarHBondContact O-N 2.7Å
205D47.1Very low52.6Low102 Ų10289 Ų8955%0.54546%0.463SS..SBendtrans-68.1129.7173.1-156.9-59000109.2W203 A207 L208W203-D205 VanDerWaalsContact C-N 3.28Å; D205-A207 PolarHBondContact O-N 3.28Å; D205-A207 PolarHBondContact OD1-N 2.86Å; D205-L208 PolarHBondContact O-N 2.96Å
206E45.3Very low50.1Low152 Ų15299.1 Ų99.171%0.7151%0.507SS*.G310 helixtrans-54.7-11-179.9-82.3-18088.500113.6K204 L208 Q209K204-E206 PolarHBondContact O-N 2.7Å; E206-L208 PolarHBondContact O-N 2.9Å; E206-L208 VanDerWaalsContact O-N 3.1Å; E206-Q209 PolarHBondContact O-N 2.76Å
207A43.7Very low47.5Very low77 Ų77102 Ų10264%0.63653%0.533SS*.G310 helixtrans-47.8-34.1174.300000113.9D205D205-A207 PolarHBondContact O-N 3.28Å; D205-A207 PolarHBondContact OD1-N 2.86Å
208L46.5Very low45.6Very low46 Ų46103.6 Ų103.624%0.24156%0.557CS.*G310 helixtrans-99.5-7.5174.7-77159.2000114F167 W203 D205 E206 K210F167-L208 HydrophobicContact CD2-CD2 4.46Å; F167-L208 WeakPolarHBondContact CE1-O 3.12Å; F167-L208 HydrophobicContact CE2-CD2 4.46Å; F167-L208 HydrophobicContact CZ-CB 4.45Å; F167-L208 WeakPolarHBondContact CZ-O 3.23Å; W203-L208 VanDerWaalsContact CD1-CD1 3.45Å; D205-L208 PolarHBondContact O-N 2.96Å; E206-L208 PolarHBondContact O-N 2.9Å; E206-L208 VanDerWaalsContact O-N 3.1Å; L208-K210 VanDerWaalsContact C-N 3.35Å; L208-K210 PolarHBondContact O-N 3.32Å
209Q42.3Very low43.4Very low148 Ų148111.5 Ų111.569%0.69259%0.594SS**  trans-89.717.9175.7-74.3-157.8-13.700114.7E206 P211E206-Q209 PolarHBondContact O-N 2.76Å; Q209-P211 WeakPolarHBondContact O-CD 3.41Å
210K29.8Very low41.7Very low153 Ų153115 Ų11567%0.66563%0.625SS**  trans-92.491.3168.8-69.5-170.1-178.2178.60112.9L208L208-K210 VanDerWaalsContact C-N 3.35Å; L208-K210 PolarHBondContact O-N 3.32Å
211P38.4Very low40.1Very low119 Ų119121.2 Ų121.277%0.77365%0.65SS**  trans-98.594.1139.331.6-19.7000107.3Q209Q209-P211 WeakPolarHBondContact O-CD 3.41Å
212G33.6Very low38.8Very low60 Ų60120.3 Ų120.362%0.61966%0.662SS**  trans14562.7174.300000115.7
213S31.1Very low37.6Very low102 Ų102124.9 Ų124.971%0.71368%0.684SS**  trans-119.982.4144.1-52.40000105.9
214Q29.8Very low36.5Very low166 Ų166127.9 Ų127.978%0.77671%0.711SS**  trans-52.1148164-75.5174.9-96.600110.1
215E35.2Very low36.1Very low155 Ų155129.9 Ų129.972%0.72472%0.719SS**  trans6787.6153.1-71.5168.711000117.7
216K30.2Very low36.2Very low214 Ų214132.2 Ų132.293%0.9377%0.768SS**  -123.493.4126.4-82.4-166.8178.9-179.80110.8
217S27.7Very low35.8Very low100 Ų100131.3 Ų131.370%0.69977%0.771SS**  trans-41132.9146.3-28.10000111.2
218A32.8Very low35.4Very low91 Ų91134.1 Ų134.175%0.75278%0.778SS**  trans-178.8124.613600000110.9
219E27.6Very low34.7Very low171 Ų171139 Ų13980%0.79981%0.808SS**  trans-41.2150.9168.3-76.7106.9124.400117.1
220A35.2Very low34.3Very low91 Ų91138.5 Ų138.575%0.75281%0.814SS**  -176103.9116.500000109.3
221H31.2Very low34.6Very low178 Ų178137.6 Ų137.682%0.82482%0.824SS**  49.3105.5101.6-84.279.6000115.3
222A36.9Very low34.3Very low97 Ų97138.8 Ų138.880%0.80283%0.827SS**  -176.8105.3122.400000111.1
223K33.4Very low34.4Very low193 Ų193144.4 Ų144.484%0.83984%0.842SS**  trans-82.1127152-104.7-179.2179.1173.10107.4
224P35.4Very low34.6Very low118 Ų118147.7 Ų147.777%0.76685%0.852SS**  trans-100.2117.4151.931.6-20.9000108
225K44.9Very low35Very low194 Ų194146.2 Ų146.284%0.84386%0.858SS**  trans-126.789.7156.6-78-160.7174.8-168.30106.7
226G49.8Very low35Very low152 Ų152145.4 Ų145.4100%1.56787%0.87SS**  trans-85.20147.500000108

Retrieved 226 of 226 residues in 167.2 ms (Link to these results)

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